From 7623f5a0b35096cb2ddea32d515dfc01ab55ba5f Mon Sep 17 00:00:00 2001 From: AbAldo Date: Thu, 19 Mar 2026 13:25:36 -0400 Subject: [PATCH 01/37] testing: matrix forward mode, and (column-forward, row-reverse) mode. --- tests/overhead.rs | 276 ++++++++++++++++++++++++++++++----------- tests/ovlp_for_back.rs | 232 +++++++++++++++++++++++++++++++--- 2 files changed, 417 insertions(+), 91 deletions(-) diff --git a/tests/overhead.rs b/tests/overhead.rs index 12bc710..de0e9b1 100644 --- a/tests/overhead.rs +++ b/tests/overhead.rs @@ -249,6 +249,202 @@ fn time_forward_mode( println!("average dovlp time: {:.6} sec", total_dovlp_time_for / count as f64); println!("avg overhead: {:.6}", total_dovlp_time_for / total_ovlp_time_for); } +// Idea 1: Full-matrix function — both i,j loops inside, forward differentiate. +#[no_mangle] +#[autodiff_forward(dovlpp_matrix_for, Dual, Const, Const, Const, Dual)] +pub fn ovlpp_matrix( + out: &mut Vec, + atm: &mut Vec, + bas: &mut Vec, + env1: &mut Vec, + env2: &mut Vec, +) { + let (natm, nbas) = nmol(atm, bas); + let nshells = angl(bas, 0); + let mut env: Vec = combine(&env1, &env2); + let mut shls_buf = vec![0i32; 4]; + + let mut mu = 0; + for i in 0..nbas { + shls_buf[0] = i as i32; + let di = CINTcgto_cart(i, &bas) as usize; + let mut nu = 0; + for j in 0..nbas { + shls_buf[1] = j as i32; + let dj = CINTcgto_cart(j, &bas) as usize; + + let mut buf = vec![0.0; di * dj]; + cint1e_ovlp_cart(&mut buf, &mut shls_buf, atm, natm as i32, bas, nbas as i32, &mut env, std::ptr::null_mut()); + + let mut c: usize = 0; + for nuj in nu..(nu + dj) { + for mui in mu..(mu + di) { + out[nuj * nshells + mui] = buf[c]; + c += 1; + } + } + nu += dj; + } + mu += di; + } +} + +// Idea 2: Row-level function — j loop inside, reverse differentiate. +#[no_mangle] +#[autodiff_reverse(dovlpp_row_rev, Duplicated, Const, Const, Const, Const, Duplicated)] +pub fn ovlpp_row( + out: &mut Vec, + i_shell: &mut Vec, + atm: &mut Vec, + bas: &mut Vec, + env1: &mut Vec, + env2: &mut Vec, +) { + let (natm, nbas) = nmol(atm, bas); + let i = i_shell[0] as usize; + let di = CINTcgto_cart(i, &bas) as usize; + let mut env: Vec = combine(&env1, &env2); + let mut shls = vec![0i32; 4]; + shls[0] = i as i32; + + let mut nu = 0; + for j in 0..nbas { + shls[1] = j as i32; + let dj = CINTcgto_cart(j, &bas) as usize; + + let mut buf = vec![0.0; di * dj]; + cint1e_ovlp_cart(&mut buf, &mut shls, atm, natm as i32, bas, nbas as i32, &mut env, std::ptr::null_mut()); + + let mut c: usize = 0; + for nuj in nu..(nu + dj) { + for mui in 0..di { + out[nuj * di + mui] = buf[c]; + c += 1; + } + } + nu += dj; + } +} + + +fn time_matrix_forward_mode( + atm: &mut Vec, + bas: &mut Vec, + env: &mut Vec, + env2_len: usize, + dS: &mut [f64], +) { + println!("--- Timing Matrix Forward Mode dS ---"); + let nshells = angl(&bas, 0); + + let (s1, s2) = split(bas); + let mut env1: Vec = env[0..s1].to_vec(); + let mut env2: Vec = env[s1..s2].to_vec(); + + // Time the primal (building the full matrix once) + let start_primal = std::time::Instant::now(); + let mut out_primal = vec![0.0; nshells * nshells]; + ovlpp_matrix(&mut out_primal, atm, bas, &mut env1, &mut env2); + let primal_time = start_primal.elapsed().as_secs_f64(); + + // Time the full Jacobian computation: env2_len forward calls + let start_total = std::time::Instant::now(); + for l in 0..env2_len { + let mut out = vec![0.0; nshells * nshells]; + let mut dout = vec![0.0; nshells * nshells]; + let mut denv2 = vec![0.0; env2_len]; + denv2[l] = 1.0; + + dovlpp_matrix_for( + &mut out, &mut dout, + atm, bas, + &mut env1, + &mut env2, &mut denv2, + ); + + for idx in 0..(nshells * nshells) { + dS[idx * env2_len + l] = dout[idx]; + } + } + let total_dovlp_time = start_total.elapsed().as_secs_f64(); + + println!("AD calls: {}", env2_len); + println!("primal time: {:.6} sec", primal_time); + println!("total dovlp time: {:.6} sec", total_dovlp_time); + println!("avg dovlp time: {:.6} sec", total_dovlp_time / env2_len as f64); + println!("avg overhead: {:.6}", total_dovlp_time / primal_time); +} + + +fn time_row_reverse_mode( + atm: &mut Vec, + bas: &mut Vec, + env: &mut Vec, + env2_len: usize, + dS: &mut [f64], +) { + println!("--- Timing Row Reverse Mode dS ---"); + let (_, nbas) = nmol(&atm, &bas); + let nshells = angl(&bas, 0); + + let (s1, s2) = split(bas); + let mut env1: Vec = env[0..s1].to_vec(); + let mut env2: Vec = env[s1..s2].to_vec(); + + // Time the primal (building one row, then full matrix) + let start_primal = std::time::Instant::now(); + for i in 0..nbas { + let di = CINTcgto_cart(i, &bas) as usize; + let mut i_shell = vec![i as i32]; + let row_size = di * nshells; + let mut out = vec![0.0; row_size]; + ovlpp_row(&mut out, &mut i_shell, atm, bas, &mut env1, &mut env2); + } + let primal_time = start_primal.elapsed().as_secs_f64(); + + // Time the full Jacobian computation + let mut total_calls = 0; + let start_total = std::time::Instant::now(); + let mut mu = 0; + for i in 0..nbas { + let di = CINTcgto_cart(i, &bas) as usize; + let mut i_shell = vec![i as i32]; + let row_size = di * nshells; + + for c in 0..row_size { + let mut out = vec![0.0; row_size]; + let mut dout = vec![0.0; row_size]; + dout[c] = 1.0; + let mut denv2 = vec![0.0; env2_len]; + + dovlpp_row_rev( + &mut out, &mut dout, + &mut i_shell, + atm, bas, + &mut env1, + &mut env2, &mut denv2, + ); + + let mui_local = c % di; + let nuj = c / di; + let mui = mu + mui_local; + + for l in 0..env2_len { + dS[(nuj * nshells + mui) * env2_len + l] = denv2[l]; + } + total_calls += 1; + } + mu += di; + } + let total_dovlp_time = start_total.elapsed().as_secs_f64(); + + println!("AD calls: {}", total_calls); + println!("primal time: {:.6} sec", primal_time); + println!("total dovlp time: {:.6} sec", total_dovlp_time); + println!("avg dovlp time: {:.6} sec", total_dovlp_time / total_calls as f64); + println!("avg overhead: {:.6}", total_dovlp_time / primal_time); +} + fn main() { let args: Vec = env::args().collect(); @@ -276,13 +472,17 @@ fn main() { let mut dS = vec![0.0; nbas * nbas * env2.len()]; let mut dS_for = vec![0.0; nbas * nbas * env2.len()]; + let mut dS_matrix_for = vec![0.0; nshells * nshells * env2.len()]; + let mut dS_row_rev = vec![0.0; nshells * nshells * env2.len()]; time_reverse_mode(&mut atm, natm, &mut bas, nbas, &mut env, env2.len(), &mut dS); time_forward_mode(&mut atm, natm, &mut bas, nbas, &mut env, env2.len(), &mut dS_for); + time_matrix_forward_mode(&mut atm, &mut bas, &mut env, env2.len(), &mut dS_matrix_for); + time_row_reverse_mode(&mut atm, &mut bas, &mut env, env2.len(), &mut dS_row_rev); - // now compare dS and dS_for + // Compare dS and dS_for let mut mismatches = 0; for i in 0..dS.len() { if mismatches > 10 { @@ -293,81 +493,9 @@ fn main() { mismatches += 1; } } - if (mismatches == 0) { + if mismatches == 0 { println!("dS and dS_for match"); } println!("env2.len() {}", env2.len()); - - // let mut total_repp_time = 0.0; - // let mut total_drepp_time = 0.0; - // count = 0; - - // for i in 0..nbas { - // for j in 0..nbas { - // for k in 0..nbas { - // for l in 0..nbas { - // // Set shell quartet indices - // let mut shls: [i32; 4] = [0; 4]; - // shls[0] = i as i32; - // shls[1] = j as i32; - // shls[2] = k as i32; - // shls[3] = l as i32; - - // // Compute basis function counts for each shell - // let di = CINTcgto_cart(i, &bas); - // let dj = CINTcgto_cart(j, &bas); - // let dk = CINTcgto_cart(k, &bas); - // let dl = CINTcgto_cart(l, &bas); - - // // Compute size of output array: product of all basis function counts - // let size = (di * dj * dk * dl) as usize; - - // let mut buf = vec![0.0f64; size]; - // let mut dbuf = vec![0.0f64; size]; - // dbuf[0] = 1.0; - - // // Time primal function - // let start_repp = Instant::now(); - // repp( - // &mut buf, - // &mut shls, - // &mut atm, - // natm, - // &mut bas, - // nbas, - // &mut env, - // ); - // let duration_repp = start_repp.elapsed().as_secs_f64(); - // total_repp_time += duration_repp; - - // // Time autodiff function - // let mut denv = vec![0.0f64; env.len()]; - // let start_drepp = Instant::now(); - // drepp( - // &mut buf, - // &mut dbuf, - // &mut shls, - // &mut atm, - // natm, - // &mut bas, - // nbas, - // &mut env, - // &mut denv, - // ); - // let duration_drepp = start_drepp.elapsed().as_secs_f64(); - // total_drepp_time += duration_drepp; - - // count += 1; - // } - // } - // } - // } - - // println!("count {}", count); - // println!("total rep time: {:.6} sec", total_repp_time); - // println!("total drep time: {:.6} sec", total_drepp_time); - // println!("average rep time: {:.6} sec", total_repp_time / count as f64); - // println!("average drep time: {:.6} sec", total_drepp_time / count as f64); - // println!("avg overhead: {:.6}", total_drepp_time / total_repp_time); } \ No newline at end of file diff --git a/tests/ovlp_for_back.rs b/tests/ovlp_for_back.rs index 3d733d1..03fc130 100644 --- a/tests/ovlp_for_back.rs +++ b/tests/ovlp_for_back.rs @@ -33,6 +33,89 @@ pub fn ovlpp( cint1e_ovlp_cart(out, shls, atm, natm as i32, bas, nbas as i32, &mut env, std::ptr::null_mut()); } + + +// Idea 1: Full-matrix function — both i,j loops inside, forward differentiate. +// One call computes the entire overlap matrix. Forward mode: env2_len calls total. +#[no_mangle] +#[autodiff_forward(dovlpp_matrix_for, Dual, Const, Const, Const, Dual)] +pub fn ovlpp_matrix( + out: &mut Vec, // full nshells×nshells flattened matrix + atm: &mut Vec, + bas: &mut Vec, + env1: &mut Vec, + env2: &mut Vec, +) { + let (natm, nbas) = nmol(atm, bas); + let nshells = angl(bas, 0); + let mut env: Vec = combine(&env1, &env2); + let mut shls_buf = vec![0i32; 4]; + + let mut mu = 0; + for i in 0..nbas { + shls_buf[0] = i as i32; + let di = CINTcgto_cart(i, &bas) as usize; + let mut nu = 0; + for j in 0..nbas { + shls_buf[1] = j as i32; + let dj = CINTcgto_cart(j, &bas) as usize; + + let mut buf = vec![0.0; di * dj]; + cint1e_ovlp_cart(&mut buf, &mut shls_buf, atm, natm as i32, bas, nbas as i32, &mut env, std::ptr::null_mut()); + + let mut c: usize = 0; + for nuj in nu..(nu + dj) { + for mui in mu..(mu + di) { + out[nuj * nshells + mui] = buf[c]; + c += 1; + } + } + nu += dj; + } + mu += di; + } +} + +// Idea 2: Row-level function — j loop inside, reverse differentiate. +// One call computes one row of the overlap matrix (all j for fixed i). +// i_shell[0] holds the shell index i. +#[no_mangle] +#[autodiff_reverse(dovlpp_row_rev, Duplicated, Const, Const, Const, Const, Duplicated)] +pub fn ovlpp_row( + out: &mut Vec, // one row: di*nshells elements + i_shell: &mut Vec, // length-1 vec holding shell index i (Const) + atm: &mut Vec, + bas: &mut Vec, + env1: &mut Vec, + env2: &mut Vec, +) { + let (natm, nbas) = nmol(atm, bas); + let i = i_shell[0] as usize; + let di = CINTcgto_cart(i, &bas) as usize; + let mut env: Vec = combine(&env1, &env2); + let mut shls = vec![0i32; 4]; + shls[0] = i as i32; + + let mut nu = 0; + for j in 0..nbas { + shls[1] = j as i32; + let dj = CINTcgto_cart(j, &bas) as usize; + + let mut buf = vec![0.0; di * dj]; + cint1e_ovlp_cart(&mut buf, &mut shls, atm, natm as i32, bas, nbas as i32, &mut env, std::ptr::null_mut()); + + let mut c: usize = 0; + for nuj in nu..(nu + dj) { + for mui in 0..di { + out[nuj * di + mui] = buf[c]; + c += 1; + } + } + nu += dj; + } +} + + #[no_mangle] pub fn dS_uncontracted( atm: &mut Vec, @@ -78,7 +161,6 @@ pub fn dS_uncontracted( dovlpp(&mut buf, &mut dbuf, &mut shls, atm, bas, &mut env1, &mut env2, &mut denv); for l in 0..env2.len() { dS[(nuj * nshells + mui) * env2.len() + l] = denv[l]; - // dS[l * nshells * nshells + nuj * nshells + mui] = denv[l]; } dbuf[c] = 0.0; @@ -157,6 +239,109 @@ pub fn dS_uncontracted_for( } +// Idea 1 wrapper: full-matrix forward mode +// Total AD calls: env2_len (one per env parameter) +#[no_mangle] +pub fn dS_uncontracted_matrix_for( + atm: &mut Vec, + bas: &mut Vec, + env: &mut Vec, +) -> Vec { + let nshells = angl(&bas, 0); + + let (s1, s2) = split(bas); + + let mut env1: Vec = env[0..s1].to_vec(); + let mut env2: Vec = env[s1..s2].to_vec(); + let env2_len = env2.len(); + + let mut dS = vec![0.0; nshells * nshells * env2_len]; + + // One forward call per env2 parameter + for l in 0..env2_len { + let mut out = vec![0.0; nshells * nshells]; + let mut dout = vec![0.0; nshells * nshells]; + + let mut denv2 = vec![0.0; env2_len]; + denv2[l] = 1.0; + + dovlpp_matrix_for( + &mut out, &mut dout, + atm, bas, + &mut env1, + &mut env2, &mut denv2, + ); + + // dout[nuj * nshells + mui] = d(S[nuj,mui]) / d(env2[l]) + for idx in 0..(nshells * nshells) { + dS[idx * env2_len + l] = dout[idx]; + } + } + + return dS; +} + + +// Idea 2 wrapper: row-level reverse mode +// Total AD calls: sum_i (di * nshells) = nshells^2 (one per output element) +#[no_mangle] +pub fn dS_uncontracted_row_rev( + atm: &mut Vec, + bas: &mut Vec, + env: &mut Vec, +) -> Vec { + let (_, nbas) = nmol(&atm, &bas); + let nshells = angl(&bas, 0); + + let (s1, s2) = split(bas); + + let mut env1: Vec = env[0..s1].to_vec(); + let mut env2: Vec = env[s1..s2].to_vec(); + let env2_len = env2.len(); + + let mut dS = vec![0.0; nshells * nshells * env2_len]; + + let mut mu = 0; + for i in 0..nbas { + let di = CINTcgto_cart(i, &bas) as usize; + let mut i_shell = vec![i as i32]; + + // out has di * nshells elements (di rows, nshells columns) + // Layout: out[nuj * di + mui_local] where mui_local is 0..di + let row_size = di * nshells; + + // Seed each output element one at a time + for c in 0..row_size { + let mut out = vec![0.0; row_size]; + let mut dout = vec![0.0; row_size]; + dout[c] = 1.0; + + let mut denv2 = vec![0.0; env2_len]; + + dovlpp_row_rev( + &mut out, &mut dout, + &mut i_shell, + atm, bas, + &mut env1, + &mut env2, &mut denv2, + ); + + // c = nuj * di + mui_local + let mui_local = c % di; + let nuj = c / di; + let mui = mu + mui_local; + + for l in 0..env2_len { + dS[(nuj * nshells + mui) * env2_len + l] = denv2[l]; + } + } + mu += di; + } + + return dS; +} + + fn main() { let args: Vec = env::args().collect(); @@ -174,27 +359,40 @@ fn main() { _ = read_basis(&path, &mut atm, &mut bas, &mut env); + println!("=== Computing dS (reverse mode, per shell pair) ==="); let dS = dS_uncontracted(&mut atm, &mut bas, &mut env); + + println!("=== Computing dS_for (forward mode, per shell pair) ==="); let dS_for = dS_uncontracted_for(&mut atm, &mut bas, &mut env); - // assert_eq!(dS, dS_for); + println!("=== Computing dS_matrix_for (forward mode, full matrix) ==="); + let dS_matrix_for = dS_uncontracted_matrix_for(&mut atm, &mut bas, &mut env); - // now compare dS and dS_for - let mut mismatches = 0; - for i in 0..dS.len() { - if mismatches > 10 { - break; - } - if (dS[i] - dS_for[i]).abs() > 1e-10 { - println!("Mismatch at index {}: dS = {}, dS_for = {}", i, dS[i], dS_for[i]); - mismatches += 1; + println!("=== Computing dS_row_rev (reverse mode, per row) ==="); + let dS_row_rev = dS_uncontracted_row_rev(&mut atm, &mut bas, &mut env); + + // Compare all against the reference (dS from reverse mode) + let results = [ + ("dS_for", &dS_for), + ("dS_matrix_for", &dS_matrix_for), + ("dS_row_rev", &dS_row_rev), + ]; + + for (name, other) in &results { + let mut mismatches = 0; + for i in 0..dS.len() { + if mismatches > 5 { + break; + } + if (dS[i] - other[i]).abs() > 1e-10 { + println!("Mismatch {} at index {}: dS = {}, {} = {}", name, i, dS[i], name, other[i]); + mismatches += 1; + } } - else { - println!("Match at index {}: dS = {}, dS_for = {}", i, dS[i], dS_for[i]); + if mismatches == 0 { + println!("dS and {} match ✓", name); + } else { + println!("dS and {} have {} mismatches ✗", name, mismatches); } } - if (mismatches == 0) { - println!("dS and dS_for match"); - } - } \ No newline at end of file From 01f1b5b8ce40bf88f131bcccc77d7793365b025f Mon Sep 17 00:00:00 2001 From: jpmedinagl Date: Fri, 20 Mar 2026 14:14:30 -0400 Subject: [PATCH 02/37] adding forward vs reverse comparison --- Cargo.toml | 16 +- tests/for_back.rs | 387 ++++++++++++++++++++++++++++++++++++++++++++++ 2 files changed, 393 insertions(+), 10 deletions(-) create mode 100644 tests/for_back.rs diff --git a/Cargo.toml b/Cargo.toml index 8f3f70d..616fbb1 100644 --- a/Cargo.toml +++ b/Cargo.toml @@ -21,17 +21,13 @@ lto = "fat" debug = 0 #rustflags = ["-Z", "autodiff=Enable"] -[lib] -crate-type = ["cdylib"] -name = "rint" +# [lib] +# crate-type = ["cdylib"] +# name = "rint" -#[[bin]] -#name = "int" -#path = "primal/integral.rs" - -#[[bin]] -#name = "dint" -#path = "enzyme/integral.rs" +[[bin]] +name = "forward" +path = "tests/for_back.rs" [[bin]] name = "simple" diff --git a/tests/for_back.rs b/tests/for_back.rs new file mode 100644 index 0000000..9998ef7 --- /dev/null +++ b/tests/for_back.rs @@ -0,0 +1,387 @@ +#![allow(non_snake_case, non_upper_case_globals,unused_variables,improper_ctypes_definitions,static_mut_refs)] +#![feature(autodiff)] + +use std::env; + +use std::time::Instant; + +use std::autodiff::*; +use librint::utils::{read_basis, split, combine}; +use librint::scf::{nmol, angl}; + +use librint::cint_bas::CINTcgto_cart; +use librint::cint1e::cint1e_ovlp_cart; +// use librint::cint2e::cint2e_cart; + + +pub const ATM_SLOTS: usize = 6; +pub const BAS_SLOTS: usize = 8; + +#[no_mangle] +#[autodiff_reverse(dovlp_rev, Duplicated, Const, Const, Const, Const, Const, Duplicated)] +#[autodiff_forward(dovlp_for, Dual, Const, Const, Const, Const, Const, Dual)] +fn ovlpp( + out: &mut [f64], + shls: &mut [i32], + atm: &mut [i32], + natm: usize, + bas: &mut [i32], + nbas: usize, + env: &mut [f64] +) { + cint1e_ovlp_cart( + out, + shls, + atm, + natm as i32, + bas, + nbas as i32, + env, + std::ptr::null_mut(), + ); +} + +#[no_mangle] +#[autodiff_reverse(dS_rev, Duplicated, Const, Const, Const, Duplicated)] +#[autodiff_forward(dS_for, Dual, Const, Const, Const, Dual)] +pub fn S( + out: &mut Vec, + atm: &mut Vec, + bas: &mut Vec, + env1: &mut Vec, + env2: &mut Vec, +) { + let (natm, nbas) = nmol(atm, bas); + let nshells = angl(bas, 0); + let mut env: Vec = combine(&env1, &env2); + let mut shls_buf = vec![0i32; 4]; + + let mut mu = 0; + for i in 0..nbas { + shls_buf[0] = i as i32; + let di = CINTcgto_cart(i, &bas) as usize; + let mut nu = 0; + for j in 0..nbas { + shls_buf[1] = j as i32; + let dj = CINTcgto_cart(j, &bas) as usize; + + let mut buf = vec![0.0; di * dj]; + cint1e_ovlp_cart(&mut buf, &mut shls_buf, atm, natm as i32, bas, nbas as i32, &mut env, std::ptr::null_mut()); + + let mut c: usize = 0; + for nuj in nu..(nu + dj) { + for mui in mu..(mu + di) { + out[nuj * nshells + mui] = buf[c]; + c += 1; + } + } + nu += dj; + } + mu += di; + } +} + +fn time_reverse_element_mode( + atm: &mut [i32], + natm: usize, + bas: &mut [i32], + nbas: usize, + env: &mut [f64], + env2_len: usize, + dS: &mut [f64], +) { + println!("--- Timing Reverse Mode (element) dS ---"); + let mut shls: [i32; 4] = [0, 0, 0, 0]; + + let max_size = (nbas * nbas) as usize; + let mut buf = vec![0.0; max_size]; + let mut dbuf = vec![0.0; max_size]; + let mut denv = vec![0.0f64; env.len()]; + + let mut total_ovlp_time = 0.0; + let mut total_dovlp_time = 0.0; + let mut count = 0; + + for i in 0..nbas { + for j in 0..nbas { + shls[0] = i as i32; + shls[1] = j as i32; + + let di = CINTcgto_cart(i, bas); + let dj = CINTcgto_cart(j, bas); + + let size = (di * dj) as usize; + + buf[..size].fill(0.0); + dbuf[..size].fill(0.0); + dbuf[0] = 1.0; + + let start_ovlp = std::time::Instant::now(); + ovlpp( + &mut buf, + &mut shls, + atm, + natm, + bas, + nbas, + env, + ); + let duration_ovlp = start_ovlp.elapsed().as_secs_f64(); + total_ovlp_time += duration_ovlp; + + denv.fill(0.0); + let start_dovlp = std::time::Instant::now(); + dovlp_rev( + &mut buf, + &mut dbuf, + &mut shls, + atm, + natm, + bas, + nbas, + env, + &mut denv, + ); + + let duration_dovlp = start_dovlp.elapsed().as_secs_f64(); + total_dovlp_time += duration_dovlp; + for l in 0..env2_len { + dS[(i * nbas + j) * env2_len + l] = denv[l]; + } + count += 1; + } + } + + println!("count {}", count); + println!("total ovlp time: {:.6} sec", total_ovlp_time); + println!("total dovlp time: {:.6} sec", total_dovlp_time); + println!("average ovlp time: {:.6} sec", total_ovlp_time / count as f64); + println!("average dovlp time: {:.6} sec", total_dovlp_time / count as f64); + println!("avg overhead: {:.6}", total_dovlp_time / total_ovlp_time); +} + +fn time_forward_element_mode( + atm: &mut [i32], + natm: usize, + bas: &mut [i32], + nbas: usize, + env: &mut [f64], + env2_len: usize, + dS_for: &mut [f64], +) { + println!("--- Timing Forward Mode (element) dS ---"); + let mut shls: [i32; 4] = [0, 0, 0, 0]; + + let max_size = (nbas * nbas) as usize; // Preallocate with an upper bound + let mut buf = vec![0.0; max_size]; + let mut dbuf = vec![0.0; max_size]; + let mut denv = vec![0.0f64; env.len()]; + + let mut total_ovlp_time_for = 0.0; + let mut total_dovlp_time_for = 0.0; + let mut count = 0; + + for i in 0..nbas { + for j in 0..nbas { + shls[0] = i as i32; + shls[1] = j as i32; + + let di = CINTcgto_cart(i, bas); + let dj = CINTcgto_cart(j, bas); + + let size = (di * dj) as usize; + + buf[..size].fill(0.0); + dbuf[..size].fill(0.0); + + let start_ovlp = std::time::Instant::now(); + ovlpp( + &mut buf, + &mut shls, + atm, + natm, + bas, + nbas, + env, + ); + let duration_ovlp = start_ovlp.elapsed().as_secs_f64(); + total_ovlp_time_for += duration_ovlp; + + for l in 0..env2_len { + buf[..size].fill(0.0); + dbuf[..size].fill(0.0); + + denv.fill(0.0); + denv[l] = 1.0; + + let start_dovlp = std::time::Instant::now(); + dovlp_for( + &mut buf, + &mut dbuf, + &mut shls, + atm, + natm, + bas, + nbas, + env, + &mut denv, + ); + let duration_dovlp = start_dovlp.elapsed().as_secs_f64(); + total_dovlp_time_for += duration_dovlp; + + dS_for[(i * nbas + j) * env2_len + l] = dbuf[0]; + } + + count += 1; + } + } + + println!("count {}", count); + println!("total ovlp time: {:.6} sec", total_ovlp_time_for); + println!("total dovlp time: {:.6} sec", total_dovlp_time_for); + println!("average ovlp time: {:.6} sec", total_ovlp_time_for / count as f64); + println!("average dovlp time: {:.6} sec", total_dovlp_time_for / count as f64); + println!("avg overhead: {:.6}", total_dovlp_time_for / total_ovlp_time_for); +} + +fn time_forward_matrix_mode( + atm: &mut Vec, + bas: &mut Vec, + env: &mut Vec, + env2_len: usize, + dS: &mut [f64], +) { + println!("--- Timing Matrix Forward Mode dS ---"); + let nshells = angl(&bas, 0); + + let (s1, s2) = split(bas); + let mut env1: Vec = env[0..s1].to_vec(); + let mut env2: Vec = env[s1..s2].to_vec(); + + // Time the primal (building the full matrix once) + let start_primal = std::time::Instant::now(); + let mut out_primal = vec![0.0; nshells * nshells]; + S(&mut out_primal, atm, bas, &mut env1, &mut env2); + let primal_time = start_primal.elapsed().as_secs_f64(); + + // Time the full Jacobian computation: env2_len forward calls + let mut out = vec![0.0; nshells * nshells]; + let mut dout = vec![0.0; nshells * nshells]; + let mut denv2 = vec![0.0; env2_len]; + + let start_total = std::time::Instant::now(); + for l in 0..env2_len { + denv2[l] = 1.0; + + dS_for( + &mut out, &mut dout, + atm, bas, + &mut env1, + &mut env2, &mut denv2, + ); + + for idx in 0..(nshells * nshells) { + dS[idx * env2_len + l] = dout[idx]; + } + } + + let total_dovlp_time = start_total.elapsed().as_secs_f64(); + + println!("AD calls: {}", env2_len); + println!("primal time: {:.6} sec", primal_time); + println!("total dovlp time: {:.6} sec", total_dovlp_time); + println!("avg dovlp time: {:.6} sec", total_dovlp_time / env2_len as f64); + println!("avg overhead: {:.6}", total_dovlp_time / primal_time); +} + + +fn time_reverse_matrix_mode( + atm: &mut Vec, + bas: &mut Vec, + env: &mut Vec, + env2_len: usize, + dS: &mut [f64], +) { + println!("--- Timing Row Reverse Mode dS ---"); + let (_, nbas) = nmol(&atm, &bas); + let nshells = angl(&bas, 0); + + let (s1, s2) = split(bas); + let mut env1: Vec = env[0..s1].to_vec(); + let mut env2: Vec = env[s1..s2].to_vec(); + + let start_primal = std::time::Instant::now(); + let mut out_primal = vec![0.0; nshells * nshells]; + S(&mut out_primal, atm, bas, &mut env1, &mut env2); + let primal_time = start_primal.elapsed().as_secs_f64(); + + // Time the full Jacobian computation + let mut total_calls = 0; + let start_total = std::time::Instant::now(); + + // dS_rev(out, dout, atm, bas, env1, env2, denv2); + + let total_dovlp_time = start_total.elapsed().as_secs_f64(); + + println!("primal time: {:.6} sec", primal_time); + println!("total dovlp time: {:.6} sec", total_dovlp_time); + println!("avg dovlp time: {:.6} sec", total_dovlp_time / total_calls as f64); + println!("avg overhead: {:.6}", total_dovlp_time / primal_time); +} + + +fn main() { + let args: Vec = env::args().collect(); + + if args.len() < 2 { + eprintln!("Usage: {} file", args[0]); + std::process::exit(1); + } + + let path = &args[1]; + + let mut atm: Vec = Vec::new(); + let mut bas: Vec = Vec::new(); + let mut env: Vec = Vec::new(); + + _ = read_basis(&path, &mut atm, &mut bas, &mut env); + + let (natm, nbas) = nmol(&mut atm, &mut bas); + + let (s1, s2) = split(&mut bas); + let nshells = angl(&bas, 0); + + let mut env1: Vec = env[0..s1].to_vec(); + let mut env2: Vec = env[s1..s2].to_vec(); + + let mut dS_rev = vec![0.0; nbas * nbas * env2.len()]; + let mut dS_matrix_rev = vec![0.0; nshells * nshells * env2.len()]; + + let mut dS_for = vec![0.0; nbas * nbas * env2.len()]; + let mut dS_matrix_for = vec![0.0; nshells * nshells * env2.len()]; + + + time_reverse_element_mode(&mut atm, natm, &mut bas, nbas, &mut env, env2.len(), &mut dS_rev); + time_reverse_matrix_mode(&mut atm, &mut bas, &mut env, env2.len(), &mut dS_matrix_rev); + + time_forward_element_mode(&mut atm, natm, &mut bas, nbas, &mut env, env2.len(), &mut dS_for); + time_forward_matrix_mode(&mut atm, &mut bas, &mut env, env2.len(), &mut dS_matrix_for); + + + // Compare dS and dS_for + let mut mismatches = 0; + for i in 0..dS_rev.len() { + if mismatches > 10 { + break; + } + if (dS_rev[i] - dS_for[i]).abs() > 1e-10 { + println!("Mismatch at index {}: dS_rev = {}, dS_for = {}", i, dS_rev[i], dS_for[i]); + mismatches += 1; + } + } + if mismatches == 0 { + println!("dS_rev and dS_for match"); + } + + println!("env2.len() {}", env2.len()); +} \ No newline at end of file From e870404af0ff06df7530bf9f849b665ab8c021d3 Mon Sep 17 00:00:00 2001 From: jpmedinagl Date: Fri, 20 Mar 2026 15:01:55 -0400 Subject: [PATCH 03/37] temporary changes --- tests/for_back.rs | 129 ++++++++++++++++++++++++++++++++++------------ 1 file changed, 95 insertions(+), 34 deletions(-) diff --git a/tests/for_back.rs b/tests/for_back.rs index 9998ef7..bcb7b3f 100644 --- a/tests/for_back.rs +++ b/tests/for_back.rs @@ -82,17 +82,19 @@ pub fn S( } fn time_reverse_element_mode( - atm: &mut [i32], + atm: &mut Vec, natm: usize, - bas: &mut [i32], + bas: &mut Vec, nbas: usize, - env: &mut [f64], + env: &mut Vec, env2_len: usize, dS: &mut [f64], ) { println!("--- Timing Reverse Mode (element) dS ---"); let mut shls: [i32; 4] = [0, 0, 0, 0]; + let nshells = angl(&bas, 0); + let max_size = (nbas * nbas) as usize; let mut buf = vec![0.0; max_size]; let mut dbuf = vec![0.0; max_size]; @@ -102,19 +104,24 @@ fn time_reverse_element_mode( let mut total_dovlp_time = 0.0; let mut count = 0; + let mut di = 0; + let mut dj = 0; + + let mut mu: usize; + let mut nu: usize; + mu = 0; for i in 0..nbas { + nu = 0; for j in 0..nbas { shls[0] = i as i32; shls[1] = j as i32; - let di = CINTcgto_cart(i, bas); - let dj = CINTcgto_cart(j, bas); + di = CINTcgto_cart(i, bas) as usize; + dj = CINTcgto_cart(j, bas) as usize; let size = (di * dj) as usize; - - buf[..size].fill(0.0); + dbuf[..size].fill(0.0); - dbuf[0] = 1.0; let start_ovlp = std::time::Instant::now(); ovlpp( @@ -129,27 +136,41 @@ fn time_reverse_element_mode( let duration_ovlp = start_ovlp.elapsed().as_secs_f64(); total_ovlp_time += duration_ovlp; - denv.fill(0.0); - let start_dovlp = std::time::Instant::now(); - dovlp_rev( - &mut buf, - &mut dbuf, - &mut shls, - atm, - natm, - bas, - nbas, - env, - &mut denv, - ); + let mut c: usize = 0; + for nuj in nu..(nu + dj) { + for mui in mu..(mu + di) { + denv.fill(0.0); + dbuf[c] = 1.0; + + let start_dovlp = std::time::Instant::now(); + dovlp_rev( + &mut buf, + &mut dbuf, + &mut shls, + atm, + natm, + bas, + nbas, + env, + &mut denv, + ); + + let duration_dovlp = start_dovlp.elapsed().as_secs_f64(); + total_dovlp_time += duration_dovlp; + + for l in 0..env2_len { + dS[(nuj * nshells + mui) * env2_len + l] = denv[l]; + } - let duration_dovlp = start_dovlp.elapsed().as_secs_f64(); - total_dovlp_time += duration_dovlp; - for l in 0..env2_len { - dS[(i * nbas + j) * env2_len + l] = denv[l]; + c += 1; + } } + count += 1; + + nu += dj; } + mu += di; } println!("count {}", count); @@ -161,16 +182,18 @@ fn time_reverse_element_mode( } fn time_forward_element_mode( - atm: &mut [i32], + atm: &mut Vec, natm: usize, - bas: &mut [i32], + bas: &mut Vec, nbas: usize, - env: &mut [f64], + env: &mut Vec, env2_len: usize, dS_for: &mut [f64], ) { println!("--- Timing Forward Mode (element) dS ---"); let mut shls: [i32; 4] = [0, 0, 0, 0]; + + let nshells = angl(bas, 0); let max_size = (nbas * nbas) as usize; // Preallocate with an upper bound let mut buf = vec![0.0; max_size]; @@ -181,13 +204,20 @@ fn time_forward_element_mode( let mut total_dovlp_time_for = 0.0; let mut count = 0; + let mut di = 0; + let mut dj = 0; + + let mut mu: usize; + let mut nu: usize; + mu = 0; for i in 0..nbas { + nu = 0; for j in 0..nbas { shls[0] = i as i32; shls[1] = j as i32; - let di = CINTcgto_cart(i, bas); - let dj = CINTcgto_cart(j, bas); + di = CINTcgto_cart(i, bas) as usize; + dj = CINTcgto_cart(j, bas) as usize; let size = (di * dj) as usize; @@ -228,12 +258,21 @@ fn time_forward_element_mode( ); let duration_dovlp = start_dovlp.elapsed().as_secs_f64(); total_dovlp_time_for += duration_dovlp; - - dS_for[(i * nbas + j) * env2_len + l] = dbuf[0]; + + let mut c: usize = 0; + for nuj in nu..(nu + dj) { + for mui in mu..(mu + di) { + dS_for[(nuj * nshells + mui) * env2_len + l] = dbuf[c]; + c += 1; + } + } } count += 1; + + nu += dj; } + mu += di; } println!("count {}", count); @@ -271,6 +310,7 @@ fn time_forward_matrix_mode( let start_total = std::time::Instant::now(); for l in 0..env2_len { + denv2.fill(0.0); denv2[l] = 1.0; dS_for( @@ -284,7 +324,7 @@ fn time_forward_matrix_mode( dS[idx * env2_len + l] = dout[idx]; } } - + let total_dovlp_time = start_total.elapsed().as_secs_f64(); println!("AD calls: {}", env2_len); @@ -316,10 +356,31 @@ fn time_reverse_matrix_mode( let primal_time = start_primal.elapsed().as_secs_f64(); // Time the full Jacobian computation + let mut out = vec![0.0; nshells * nshells]; + let mut dout = vec![0.0; nshells * nshells]; + let mut denv2 = vec![0.0; env2_len]; + let mut total_calls = 0; let start_total = std::time::Instant::now(); - // dS_rev(out, dout, atm, bas, env1, env2, denv2); + for k in 0..(nshells * nshells) { + total_calls += 1; + + denv2.fill(0.0); + dout.fill(0.0); + dout[k] = 1.0; + + dS_rev( + &mut out, &mut dout, + atm, bas, + &mut env1, + &mut env2, &mut denv2, + ); + + for l in 0..env2_len { + dS[k * env2_len + l] = denv2[l]; + } + } let total_dovlp_time = start_total.elapsed().as_secs_f64(); From a87b15a48c713a9af0dea8b794547735189c611f Mon Sep 17 00:00:00 2001 From: jpmedinagl Date: Fri, 20 Mar 2026 15:16:39 -0400 Subject: [PATCH 04/37] complete ish + out of bounds bug still --- tests/for_back.rs | 29 +++++++++++------------------ 1 file changed, 11 insertions(+), 18 deletions(-) diff --git a/tests/for_back.rs b/tests/for_back.rs index bcb7b3f..c142849 100644 --- a/tests/for_back.rs +++ b/tests/for_back.rs @@ -11,8 +11,6 @@ use librint::scf::{nmol, angl}; use librint::cint_bas::CINTcgto_cart; use librint::cint1e::cint1e_ovlp_cart; -// use librint::cint2e::cint2e_cart; - pub const ATM_SLOTS: usize = 6; pub const BAS_SLOTS: usize = 8; @@ -121,8 +119,6 @@ fn time_reverse_element_mode( let size = (di * dj) as usize; - dbuf[..size].fill(0.0); - let start_ovlp = std::time::Instant::now(); ovlpp( &mut buf, @@ -162,6 +158,7 @@ fn time_reverse_element_mode( dS[(nuj * nshells + mui) * env2_len + l] = denv[l]; } + dbuf[c] = 0.0; c += 1; } } @@ -195,7 +192,7 @@ fn time_forward_element_mode( let nshells = angl(bas, 0); - let max_size = (nbas * nbas) as usize; // Preallocate with an upper bound + let max_size = (nbas * nbas) as usize; let mut buf = vec![0.0; max_size]; let mut dbuf = vec![0.0; max_size]; let mut denv = vec![0.0f64; env.len()]; @@ -220,9 +217,6 @@ fn time_forward_element_mode( dj = CINTcgto_cart(j, bas) as usize; let size = (di * dj) as usize; - - buf[..size].fill(0.0); - dbuf[..size].fill(0.0); let start_ovlp = std::time::Instant::now(); ovlpp( @@ -238,10 +232,7 @@ fn time_forward_element_mode( total_ovlp_time_for += duration_ovlp; for l in 0..env2_len { - buf[..size].fill(0.0); - dbuf[..size].fill(0.0); - - denv.fill(0.0); + dbuf.fill(0.0); denv[l] = 1.0; let start_dovlp = std::time::Instant::now(); @@ -266,6 +257,8 @@ fn time_forward_element_mode( c += 1; } } + + denv[l] = 0.0; } count += 1; @@ -310,7 +303,7 @@ fn time_forward_matrix_mode( let start_total = std::time::Instant::now(); for l in 0..env2_len { - denv2.fill(0.0); + dout.fill(0.0); denv2[l] = 1.0; dS_for( @@ -320,6 +313,8 @@ fn time_forward_matrix_mode( &mut env2, &mut denv2, ); + denv2[l] = 0.0; + for idx in 0..(nshells * nshells) { dS[idx * env2_len + l] = dout[idx]; } @@ -360,14 +355,10 @@ fn time_reverse_matrix_mode( let mut dout = vec![0.0; nshells * nshells]; let mut denv2 = vec![0.0; env2_len]; - let mut total_calls = 0; let start_total = std::time::Instant::now(); for k in 0..(nshells * nshells) { - total_calls += 1; - denv2.fill(0.0); - dout.fill(0.0); dout[k] = 1.0; dS_rev( @@ -377,6 +368,8 @@ fn time_reverse_matrix_mode( &mut env2, &mut denv2, ); + dout[k] = 0.0; + for l in 0..env2_len { dS[k * env2_len + l] = denv2[l]; } @@ -386,7 +379,7 @@ fn time_reverse_matrix_mode( println!("primal time: {:.6} sec", primal_time); println!("total dovlp time: {:.6} sec", total_dovlp_time); - println!("avg dovlp time: {:.6} sec", total_dovlp_time / total_calls as f64); + println!("avg dovlp time: {:.6} sec", total_dovlp_time / (nshells * nshells) as f64); println!("avg overhead: {:.6}", total_dovlp_time / primal_time); } From 150ebc2bf132d5d5dc55cf33afcd7a7fa7d979b8 Mon Sep 17 00:00:00 2001 From: Manuel Drehwald Date: Fri, 20 Mar 2026 16:54:40 -0400 Subject: [PATCH 05/37] a little more const --- src/cint1e.rs | 4 ++-- src/g1e.rs | 2 +- src/optimizer.rs | 4 ++-- 3 files changed, 5 insertions(+), 5 deletions(-) diff --git a/src/cint1e.rs b/src/cint1e.rs index 95f7727..07fe3f6 100644 --- a/src/cint1e.rs +++ b/src/cint1e.rs @@ -31,7 +31,7 @@ pub unsafe extern "C" fn CINT1e_loop( mut gctr: *mut f64, mut envs: *mut CINTEnvVars, mut cache: *mut f64, - mut int1e_type: i32, + int1e_type: i32, ) -> i32 { let mut shls: *mut i32 = (*envs).shls; let mut bas: *mut i32 = (*envs).bas; @@ -454,7 +454,7 @@ unsafe extern "C" fn make_g1e_gout( mut idx: *mut i32, mut envs: *mut CINTEnvVars, mut empty: i32, - mut int1e_type: i32, + int1e_type: i32, ) { let mut ia: i32 = 0; match int1e_type { diff --git a/src/g1e.rs b/src/g1e.rs index 889a3c5..1d0b9e3 100644 --- a/src/g1e.rs +++ b/src/g1e.rs @@ -140,7 +140,7 @@ pub unsafe extern "C" fn CINTinit_int1e_EnvVars( #[no_mangle] pub unsafe extern "C" fn CINTg1e_index_xyz( mut idx: *mut i32, - mut envs: *mut CINTEnvVars, + envs: *const CINTEnvVars, ) { let i_l: i32 = (*envs).i_l; let j_l: i32 = (*envs).j_l; diff --git a/src/optimizer.rs b/src/optimizer.rs index d6261a7..35fece5 100644 --- a/src/optimizer.rs +++ b/src/optimizer.rs @@ -392,12 +392,12 @@ pub unsafe extern "C" fn CINTall_1e_optimizer( ), ), ::core::mem::transmute::< - Option:: ()>, + Option:: ()>, Option:: ()>, >( Some( CINTg1e_index_xyz - as unsafe extern "C" fn(*mut i32, *mut CINTEnvVars) -> (), + as unsafe extern "C" fn(*mut i32, *const CINTEnvVars) -> (), ), ), 2 as i32, From f25479054c3dbf0ff38bf8ef76ce05337d2a9c51 Mon Sep 17 00:00:00 2001 From: Manuel Drehwald Date: Fri, 20 Mar 2026 16:57:24 -0400 Subject: [PATCH 06/37] don't access out of bounds --- tests/for_back.rs | 12 +++++++++--- 1 file changed, 9 insertions(+), 3 deletions(-) diff --git a/tests/for_back.rs b/tests/for_back.rs index c142849..d912be7 100644 --- a/tests/for_back.rs +++ b/tests/for_back.rs @@ -155,7 +155,10 @@ fn time_reverse_element_mode( total_dovlp_time += duration_dovlp; for l in 0..env2_len { - dS[(nuj * nshells + mui) * env2_len + l] = denv[l]; + let idx = (nuj * nshells + mui) * env2_len + l; + if idx < dS.len() { + dS[idx] = denv[l]; + } } dbuf[c] = 0.0; @@ -253,7 +256,10 @@ fn time_forward_element_mode( let mut c: usize = 0; for nuj in nu..(nu + dj) { for mui in mu..(mu + di) { - dS_for[(nuj * nshells + mui) * env2_len + l] = dbuf[c]; + let idx = (nuj * nshells + mui) * env2_len + l; + if idx < dS_for.len() { + dS_for[idx] = dbuf[c]; + } c += 1; } } @@ -438,4 +444,4 @@ fn main() { } println!("env2.len() {}", env2.len()); -} \ No newline at end of file +} From 1ed4cc55fa23545dfc089dbe301d216955d6a452 Mon Sep 17 00:00:00 2001 From: Manuel Drehwald Date: Fri, 20 Mar 2026 17:01:20 -0400 Subject: [PATCH 07/37] applying cargo fix --- src/cart2sph.rs | 90 ++++++++++++++-------------- src/cint1e.rs | 24 ++++---- src/cint2e.rs | 130 ++++++++++++++++++++--------------------- src/eigh.rs | 2 +- src/fblas.rs | 4 +- src/g1e.rs | 8 +-- src/g2e.rs | 132 +++++++++++++++++++++--------------------- src/h2_stv_simpler.rs | 125 +++++++++++++++++++++++++++++++++++++++ src/intor1.rs | 12 ++-- src/optimizer.rs | 28 ++++----- src/rys_roots.rs | 8 +-- src/rys_wheeler.rs | 8 +-- 12 files changed, 348 insertions(+), 223 deletions(-) create mode 100644 src/h2_stv_simpler.rs diff --git a/src/cart2sph.rs b/src/cart2sph.rs index ad21f4c..9bcd1f3 100644 --- a/src/cart2sph.rs +++ b/src/cart2sph.rs @@ -88419,28 +88419,28 @@ unsafe extern "C" fn a_ket_cart2spheric( return gsph; } unsafe extern "C" fn s_bra_cart2spheric( - mut gsph: *mut f64, - mut nket: i32, + _gsph: *mut f64, + _nket: i32, mut gcart: *mut f64, - mut l: i32, + _l: i32, ) -> *mut f64 { return gcart; } unsafe extern "C" fn s_ket_cart2spheric( - mut gsph: *mut f64, + _gsph: *mut f64, mut gcart: *mut f64, - mut lds: i32, - mut nbra: i32, - mut l: i32, + _lds: i32, + _nbra: i32, + _l: i32, ) -> *mut f64 { return gcart; } unsafe extern "C" fn s_ket_cart2spheric_copy( mut gsph: *mut f64, mut gcart: *mut f64, - mut lds: i32, + _lds: i32, mut nbra: i32, - mut l: i32, + _l: i32, ) -> *mut f64 { let mut i: i32 = 0; i = 0 as i32; @@ -88452,19 +88452,19 @@ unsafe extern "C" fn s_ket_cart2spheric_copy( return gsph; } unsafe extern "C" fn p_bra_cart2spheric( - mut gsph: *mut f64, - mut nket: i32, + _gsph: *mut f64, + _nket: i32, mut gcart: *mut f64, - mut l: i32, + _l: i32, ) -> *mut f64 { return gcart; } unsafe extern "C" fn p_ket_cart2spheric( - mut gsph: *mut f64, + _gsph: *mut f64, mut gcart: *mut f64, - mut lds: i32, - mut nbra: i32, - mut l: i32, + _lds: i32, + _nbra: i32, + _l: i32, ) -> *mut f64 { return gcart; } @@ -88473,7 +88473,7 @@ unsafe extern "C" fn p_ket_cart2spheric_copy( mut gcart: *mut f64, mut lds: i32, mut nbra: i32, - mut l: i32, + _l: i32, ) -> *mut f64 { let mut i: i32 = 0; i = 0 as i32; @@ -88499,7 +88499,7 @@ unsafe extern "C" fn d_bra_cart2spheric( mut gsph: *mut f64, mut nket: i32, mut gcart: *mut f64, - mut l: i32, + _l: i32, ) -> *mut f64 { let mut coeff_c2s: *mut f64 = g_c2s[2 as usize].cart2sph; let mut pgsph: *mut f64 = gsph; @@ -88549,7 +88549,7 @@ unsafe extern "C" fn d_ket_cart2spheric( mut gcart: *mut f64, mut lds: i32, mut nbra: i32, - mut l: i32, + _l: i32, ) -> *mut f64 { let mut coeff_c2s: *mut f64 = g_c2s[2 as usize].cart2sph; let mut pgsph: *mut f64 = gsph; @@ -88616,7 +88616,7 @@ unsafe extern "C" fn f_bra_cart2spheric( mut gsph: *mut f64, mut nket: i32, mut gcart: *mut f64, - mut l: i32, + _l: i32, ) -> *mut f64 { let mut coeff_c2s: *mut f64 = g_c2s[3 as usize].cart2sph; let mut pgsph: *mut f64 = gsph; @@ -88688,7 +88688,7 @@ unsafe extern "C" fn f_ket_cart2spheric( mut gcart: *mut f64, mut lds: i32, mut nbra: i32, - mut l: i32, + _l: i32, ) -> *mut f64 { let mut coeff_c2s: *mut f64 = g_c2s[3 as usize].cart2sph; let mut pgsph: *mut f64 = gsph; @@ -88787,7 +88787,7 @@ unsafe extern "C" fn g_bra_cart2spheric( mut gsph: *mut f64, mut nket: i32, mut gcart: *mut f64, - mut l: i32, + _l: i32, ) -> *mut f64 { let mut coeff_c2s: *mut f64 = g_c2s[4 as usize].cart2sph; let mut pgsph: *mut f64 = gsph; @@ -88889,7 +88889,7 @@ unsafe extern "C" fn g_ket_cart2spheric( mut gcart: *mut f64, mut lds: i32, mut nbra: i32, - mut l: i32, + _l: i32, ) -> *mut f64 { let mut coeff_c2s: *mut f64 = g_c2s[4 as usize].cart2sph; let mut pgsph: *mut f64 = gsph; @@ -89793,9 +89793,9 @@ unsafe extern "C" fn a_bra_cart2spinor_si( unsafe extern "C" fn a_bra_cart2spinor_sf( mut gspR: *mut f64, mut gspI: *mut f64, - mut gx: *mut f64, - mut gy: *mut f64, - mut gz: *mut f64, + _gx: *mut f64, + _gy: *mut f64, + _gz: *mut f64, mut g1: *mut f64, mut nket: i32, mut kappa: i32, @@ -89950,9 +89950,9 @@ unsafe extern "C" fn a_bra1_cart2spinor_si( unsafe extern "C" fn a_bra1_cart2spinor_sf( mut gspR: *mut f64, mut gspI: *mut f64, - mut gx: *mut f64, - mut gy: *mut f64, - mut gz: *mut f64, + _gx: *mut f64, + _gy: *mut f64, + _gz: *mut f64, mut g1: *mut f64, mut ngrids: i32, mut nket: i32, @@ -90067,14 +90067,14 @@ unsafe extern "C" fn a_bra1_cart2spinor_zi( let mut caI: f64 = 0.; let mut cbR: f64 = 0.; let mut cbI: f64 = 0.; - let mut v1R: f64 = 0.; - let mut vxR: f64 = 0.; - let mut vyR: f64 = 0.; - let mut vzR: f64 = 0.; - let mut v1I: f64 = 0.; - let mut vxI: f64 = 0.; - let mut vyI: f64 = 0.; - let mut vzI: f64 = 0.; + let _v1R: f64 = 0.; + let _vxR: f64 = 0.; + let _vyR: f64 = 0.; + let _vzR: f64 = 0.; + let _v1I: f64 = 0.; + let _vxI: f64 = 0.; + let _vyI: f64 = 0.; + let _vzI: f64 = 0.; let mut v11R: f64 = 0.; let mut v12R: f64 = 0.; let mut v21R: f64 = 0.; @@ -90144,9 +90144,9 @@ unsafe extern "C" fn a_bra1_cart2spinor_zi( unsafe extern "C" fn a_bra1_cart2spinor_zf( mut gspR: *mut f64, mut gspI: *mut f64, - mut gx: *mut f64, - mut gy: *mut f64, - mut gz: *mut f64, + _gx: *mut f64, + _gy: *mut f64, + _gz: *mut f64, mut g1: *mut f64, mut ngrids: i32, mut nket: i32, @@ -90440,7 +90440,7 @@ unsafe extern "C" fn dcopy_ij( mut out: *mut f64, mut gctr: *mut f64, ni: i32, - nj: i32, + _nj: i32, mi: i32, mj: i32, ) { @@ -90463,7 +90463,7 @@ unsafe extern "C" fn dcopy_grids_ij( mut gctr: *const f64, ngrids: i32, ni: i32, - nj: i32, + _nj: i32, mgrids: i32, mi: i32, mj: i32, @@ -90501,7 +90501,7 @@ unsafe extern "C" fn dcopy_iklj( ni: i32, nj: i32, nk: i32, - nl: i32, + _nl: i32, mi: i32, mj: i32, mk: i32, @@ -91545,7 +91545,7 @@ pub unsafe extern "C" fn c2s_cart_1e( mut gctr: *mut f64, mut dims: *mut i32, mut envs: *mut CINTEnvVars, - mut cache: *mut f64, + _cache: *mut f64, ) { let mut i_ctr: i32 = (*envs).x_ctr[0 as usize]; let mut j_ctr: i32 = (*envs).x_ctr[1 as usize]; @@ -91578,7 +91578,7 @@ pub unsafe extern "C" fn c2s_cart_2e1( mut gctr: *mut f64, mut dims: *mut i32, mut envs: *mut CINTEnvVars, - mut cache: *mut f64, + _cache: *mut f64, ) { let mut i_ctr: i32 = (*envs).x_ctr[0 as usize]; let mut j_ctr: i32 = (*envs).x_ctr[1 as usize]; diff --git a/src/cint1e.rs b/src/cint1e.rs index 07fe3f6..65397c0 100644 --- a/src/cint1e.rs +++ b/src/cint1e.rs @@ -633,7 +633,7 @@ pub unsafe extern "C" fn int1e_ovlp_sph( mut bas: *mut i32, mut nbas: i32, mut env: *mut f64, - mut opt: *mut CINTOpt, + _opt: *mut CINTOpt, mut cache: *mut f64, ) -> i32 { let ng: [i32; 8] = [ @@ -786,11 +786,11 @@ pub unsafe extern "C" fn int1e_ovlp_cart( #[no_mangle] pub unsafe extern "C" fn int1e_ovlp_optimizer( mut opt: *mut *mut CINTOpt, - mut atm: *mut i32, - mut natm: i32, - mut bas: *mut i32, - mut nbas: i32, - mut env: *mut f64, + _atm: *mut i32, + _natm: i32, + _bas: *mut i32, + _nbas: i32, + _env: *mut f64, ) { *opt = 0 as *mut CINTOpt; } @@ -804,7 +804,7 @@ pub unsafe extern "C" fn int1e_nuc_sph( mut bas: *mut i32, mut nbas: i32, mut env: *mut f64, - mut opt: *mut CINTOpt, + _opt: *mut CINTOpt, mut cache: *mut f64, ) -> i32 { let ng: [i32; 8] = [ @@ -957,11 +957,11 @@ pub unsafe extern "C" fn int1e_nuc_cart( #[no_mangle] pub unsafe extern "C" fn int1e_nuc_optimizer( mut opt: *mut *mut CINTOpt, - mut atm: *mut i32, - mut natm: i32, - mut bas: *mut i32, - mut nbas: i32, - mut env: *mut f64, + _atm: *mut i32, + _natm: i32, + _bas: *mut i32, + _nbas: i32, + _env: *mut f64, ) { *opt = 0 as *mut CINTOpt; } diff --git a/src/cint2e.rs b/src/cint2e.rs index 12ee1ce..4cf4a99 100644 --- a/src/cint2e.rs +++ b/src/cint2e.rs @@ -567,10 +567,10 @@ pub unsafe extern "C" fn CINT2e_1111_loop( { return 0 as i32; } - let mut i_ctr: i32 = (*envs).x_ctr[0 as usize]; - let mut j_ctr: i32 = (*envs).x_ctr[1 as usize]; - let mut k_ctr: i32 = (*envs).x_ctr[2 as usize]; - let mut l_ctr: i32 = (*envs).x_ctr[3 as usize]; + let _i_ctr: i32 = (*envs).x_ctr[0 as usize]; + let _j_ctr: i32 = (*envs).x_ctr[1 as usize]; + let _k_ctr: i32 = (*envs).x_ctr[2 as usize]; + let _l_ctr: i32 = (*envs).x_ctr[3 as usize]; let mut i_prim: i32 = *bas .offset((8 as i32 * i_sh + 2 as i32) as isize); let mut j_prim: i32 = *bas @@ -703,29 +703,29 @@ pub unsafe extern "C" fn CINT2e_1111_loop( 1 as i32, 1 as i32, ]; - let mut iempty: *mut i32 = _empty + let _iempty: *mut i32 = _empty .as_mut_ptr() .offset(0 as isize); - let mut jempty: *mut i32 = _empty + let _jempty: *mut i32 = _empty .as_mut_ptr() .offset(1 as isize); - let mut kempty: *mut i32 = _empty + let _kempty: *mut i32 = _empty .as_mut_ptr() .offset(2 as isize); - let mut lempty: *mut i32 = _empty + let _lempty: *mut i32 = _empty .as_mut_ptr() .offset(3 as isize); let mut gempty: *mut i32 = _empty .as_mut_ptr() .offset(4 as isize); - let mut non0ctri: *mut i32 = *((*opt).non0ctr).offset(i_sh as isize); - let mut non0ctrj: *mut i32 = *((*opt).non0ctr).offset(j_sh as isize); - let mut non0ctrk: *mut i32 = *((*opt).non0ctr).offset(k_sh as isize); - let mut non0ctrl: *mut i32 = *((*opt).non0ctr).offset(l_sh as isize); - let mut non0idxi: *mut i32 = *((*opt).sortedidx).offset(i_sh as isize); - let mut non0idxj: *mut i32 = *((*opt).sortedidx).offset(j_sh as isize); - let mut non0idxk: *mut i32 = *((*opt).sortedidx).offset(k_sh as isize); - let mut non0idxl: *mut i32 = *((*opt).sortedidx).offset(l_sh as isize); + let _non0ctri: *mut i32 = *((*opt).non0ctr).offset(i_sh as isize); + let _non0ctrj: *mut i32 = *((*opt).non0ctr).offset(j_sh as isize); + let _non0ctrk: *mut i32 = *((*opt).non0ctr).offset(k_sh as isize); + let _non0ctrl: *mut i32 = *((*opt).non0ctr).offset(l_sh as isize); + let _non0idxi: *mut i32 = *((*opt).sortedidx).offset(i_sh as isize); + let _non0idxj: *mut i32 = *((*opt).sortedidx).offset(j_sh as isize); + let _non0idxk: *mut i32 = *((*opt).sortedidx).offset(k_sh as isize); + let _non0idxl: *mut i32 = *((*opt).sortedidx).offset(l_sh as isize); let mut expij: f64 = 0.; let mut expkl: f64 = 0.; let mut eijcutoff: f64 = 0.; @@ -903,9 +903,9 @@ pub unsafe extern "C" fn CINT2e_n111_loop( return 0 as i32; } let mut i_ctr: i32 = (*envs).x_ctr[0 as usize]; - let mut j_ctr: i32 = (*envs).x_ctr[1 as usize]; - let mut k_ctr: i32 = (*envs).x_ctr[2 as usize]; - let mut l_ctr: i32 = (*envs).x_ctr[3 as usize]; + let _j_ctr: i32 = (*envs).x_ctr[1 as usize]; + let _k_ctr: i32 = (*envs).x_ctr[2 as usize]; + let _l_ctr: i32 = (*envs).x_ctr[3 as usize]; let mut i_prim: i32 = *bas .offset((8 as i32 * i_sh + 2 as i32) as isize); let mut j_prim: i32 = *bas @@ -1041,26 +1041,26 @@ pub unsafe extern "C" fn CINT2e_n111_loop( let mut iempty: *mut i32 = _empty .as_mut_ptr() .offset(0 as isize); - let mut jempty: *mut i32 = _empty + let _jempty: *mut i32 = _empty .as_mut_ptr() .offset(1 as isize); - let mut kempty: *mut i32 = _empty + let _kempty: *mut i32 = _empty .as_mut_ptr() .offset(2 as isize); - let mut lempty: *mut i32 = _empty + let _lempty: *mut i32 = _empty .as_mut_ptr() .offset(3 as isize); - let mut gempty: *mut i32 = _empty + let _gempty: *mut i32 = _empty .as_mut_ptr() .offset(4 as isize); let mut non0ctri: *mut i32 = *((*opt).non0ctr).offset(i_sh as isize); - let mut non0ctrj: *mut i32 = *((*opt).non0ctr).offset(j_sh as isize); - let mut non0ctrk: *mut i32 = *((*opt).non0ctr).offset(k_sh as isize); - let mut non0ctrl: *mut i32 = *((*opt).non0ctr).offset(l_sh as isize); + let _non0ctrj: *mut i32 = *((*opt).non0ctr).offset(j_sh as isize); + let _non0ctrk: *mut i32 = *((*opt).non0ctr).offset(k_sh as isize); + let _non0ctrl: *mut i32 = *((*opt).non0ctr).offset(l_sh as isize); let mut non0idxi: *mut i32 = *((*opt).sortedidx).offset(i_sh as isize); - let mut non0idxj: *mut i32 = *((*opt).sortedidx).offset(j_sh as isize); - let mut non0idxk: *mut i32 = *((*opt).sortedidx).offset(k_sh as isize); - let mut non0idxl: *mut i32 = *((*opt).sortedidx).offset(l_sh as isize); + let _non0idxj: *mut i32 = *((*opt).sortedidx).offset(j_sh as isize); + let _non0idxk: *mut i32 = *((*opt).sortedidx).offset(k_sh as isize); + let _non0idxl: *mut i32 = *((*opt).sortedidx).offset(l_sh as isize); let mut expij: f64 = 0.; let mut expkl: f64 = 0.; let mut eijcutoff: f64 = 0.; @@ -1271,10 +1271,10 @@ pub unsafe extern "C" fn CINT2e_1n11_loop( { return 0 as i32; } - let mut i_ctr: i32 = (*envs).x_ctr[0 as usize]; + let _i_ctr: i32 = (*envs).x_ctr[0 as usize]; let mut j_ctr: i32 = (*envs).x_ctr[1 as usize]; - let mut k_ctr: i32 = (*envs).x_ctr[2 as usize]; - let mut l_ctr: i32 = (*envs).x_ctr[3 as usize]; + let _k_ctr: i32 = (*envs).x_ctr[2 as usize]; + let _l_ctr: i32 = (*envs).x_ctr[3 as usize]; let mut i_prim: i32 = *bas .offset((8 as i32 * i_sh + 2 as i32) as isize); let mut j_prim: i32 = *bas @@ -1413,23 +1413,23 @@ pub unsafe extern "C" fn CINT2e_1n11_loop( let mut jempty: *mut i32 = _empty .as_mut_ptr() .offset(1 as isize); - let mut kempty: *mut i32 = _empty + let _kempty: *mut i32 = _empty .as_mut_ptr() .offset(2 as isize); - let mut lempty: *mut i32 = _empty + let _lempty: *mut i32 = _empty .as_mut_ptr() .offset(3 as isize); - let mut gempty: *mut i32 = _empty + let _gempty: *mut i32 = _empty .as_mut_ptr() .offset(4 as isize); - let mut non0ctri: *mut i32 = *((*opt).non0ctr).offset(i_sh as isize); + let _non0ctri: *mut i32 = *((*opt).non0ctr).offset(i_sh as isize); let mut non0ctrj: *mut i32 = *((*opt).non0ctr).offset(j_sh as isize); - let mut non0ctrk: *mut i32 = *((*opt).non0ctr).offset(k_sh as isize); - let mut non0ctrl: *mut i32 = *((*opt).non0ctr).offset(l_sh as isize); - let mut non0idxi: *mut i32 = *((*opt).sortedidx).offset(i_sh as isize); + let _non0ctrk: *mut i32 = *((*opt).non0ctr).offset(k_sh as isize); + let _non0ctrl: *mut i32 = *((*opt).non0ctr).offset(l_sh as isize); + let _non0idxi: *mut i32 = *((*opt).sortedidx).offset(i_sh as isize); let mut non0idxj: *mut i32 = *((*opt).sortedidx).offset(j_sh as isize); - let mut non0idxk: *mut i32 = *((*opt).sortedidx).offset(k_sh as isize); - let mut non0idxl: *mut i32 = *((*opt).sortedidx).offset(l_sh as isize); + let _non0idxk: *mut i32 = *((*opt).sortedidx).offset(k_sh as isize); + let _non0idxl: *mut i32 = *((*opt).sortedidx).offset(l_sh as isize); let mut expij: f64 = 0.; let mut expkl: f64 = 0.; let mut eijcutoff: f64 = 0.; @@ -1642,10 +1642,10 @@ pub unsafe extern "C" fn CINT2e_11n1_loop( { return 0 as i32; } - let mut i_ctr: i32 = (*envs).x_ctr[0 as usize]; - let mut j_ctr: i32 = (*envs).x_ctr[1 as usize]; + let _i_ctr: i32 = (*envs).x_ctr[0 as usize]; + let _j_ctr: i32 = (*envs).x_ctr[1 as usize]; let mut k_ctr: i32 = (*envs).x_ctr[2 as usize]; - let mut l_ctr: i32 = (*envs).x_ctr[3 as usize]; + let _l_ctr: i32 = (*envs).x_ctr[3 as usize]; let mut i_prim: i32 = *bas .offset((8 as i32 * i_sh + 2 as i32) as isize); let mut j_prim: i32 = *bas @@ -1778,7 +1778,7 @@ pub unsafe extern "C" fn CINT2e_11n1_loop( 1 as i32, 1 as i32, ]; - let mut iempty: *mut i32 = _empty + let _iempty: *mut i32 = _empty .as_mut_ptr() .offset(0 as isize); let mut jempty: *mut i32 = _empty @@ -1787,20 +1787,20 @@ pub unsafe extern "C" fn CINT2e_11n1_loop( let mut kempty: *mut i32 = _empty .as_mut_ptr() .offset(2 as isize); - let mut lempty: *mut i32 = _empty + let _lempty: *mut i32 = _empty .as_mut_ptr() .offset(3 as isize); - let mut gempty: *mut i32 = _empty + let _gempty: *mut i32 = _empty .as_mut_ptr() .offset(4 as isize); - let mut non0ctri: *mut i32 = *((*opt).non0ctr).offset(i_sh as isize); - let mut non0ctrj: *mut i32 = *((*opt).non0ctr).offset(j_sh as isize); + let _non0ctri: *mut i32 = *((*opt).non0ctr).offset(i_sh as isize); + let _non0ctrj: *mut i32 = *((*opt).non0ctr).offset(j_sh as isize); let mut non0ctrk: *mut i32 = *((*opt).non0ctr).offset(k_sh as isize); - let mut non0ctrl: *mut i32 = *((*opt).non0ctr).offset(l_sh as isize); - let mut non0idxi: *mut i32 = *((*opt).sortedidx).offset(i_sh as isize); - let mut non0idxj: *mut i32 = *((*opt).sortedidx).offset(j_sh as isize); + let _non0ctrl: *mut i32 = *((*opt).non0ctr).offset(l_sh as isize); + let _non0idxi: *mut i32 = *((*opt).sortedidx).offset(i_sh as isize); + let _non0idxj: *mut i32 = *((*opt).sortedidx).offset(j_sh as isize); let mut non0idxk: *mut i32 = *((*opt).sortedidx).offset(k_sh as isize); - let mut non0idxl: *mut i32 = *((*opt).sortedidx).offset(l_sh as isize); + let _non0idxl: *mut i32 = *((*opt).sortedidx).offset(l_sh as isize); let mut expij: f64 = 0.; let mut expkl: f64 = 0.; let mut eijcutoff: f64 = 0.; @@ -2013,9 +2013,9 @@ pub unsafe extern "C" fn CINT2e_111n_loop( { return 0 as i32; } - let mut i_ctr: i32 = (*envs).x_ctr[0 as usize]; - let mut j_ctr: i32 = (*envs).x_ctr[1 as usize]; - let mut k_ctr: i32 = (*envs).x_ctr[2 as usize]; + let _i_ctr: i32 = (*envs).x_ctr[0 as usize]; + let _j_ctr: i32 = (*envs).x_ctr[1 as usize]; + let _k_ctr: i32 = (*envs).x_ctr[2 as usize]; let mut l_ctr: i32 = (*envs).x_ctr[3 as usize]; let mut i_prim: i32 = *bas .offset((8 as i32 * i_sh + 2 as i32) as isize); @@ -2149,10 +2149,10 @@ pub unsafe extern "C" fn CINT2e_111n_loop( 1 as i32, 1 as i32, ]; - let mut iempty: *mut i32 = _empty + let _iempty: *mut i32 = _empty .as_mut_ptr() .offset(0 as isize); - let mut jempty: *mut i32 = _empty + let _jempty: *mut i32 = _empty .as_mut_ptr() .offset(1 as isize); let mut kempty: *mut i32 = _empty @@ -2161,16 +2161,16 @@ pub unsafe extern "C" fn CINT2e_111n_loop( let mut lempty: *mut i32 = _empty .as_mut_ptr() .offset(3 as isize); - let mut gempty: *mut i32 = _empty + let _gempty: *mut i32 = _empty .as_mut_ptr() .offset(4 as isize); - let mut non0ctri: *mut i32 = *((*opt).non0ctr).offset(i_sh as isize); - let mut non0ctrj: *mut i32 = *((*opt).non0ctr).offset(j_sh as isize); - let mut non0ctrk: *mut i32 = *((*opt).non0ctr).offset(k_sh as isize); + let _non0ctri: *mut i32 = *((*opt).non0ctr).offset(i_sh as isize); + let _non0ctrj: *mut i32 = *((*opt).non0ctr).offset(j_sh as isize); + let _non0ctrk: *mut i32 = *((*opt).non0ctr).offset(k_sh as isize); let mut non0ctrl: *mut i32 = *((*opt).non0ctr).offset(l_sh as isize); - let mut non0idxi: *mut i32 = *((*opt).sortedidx).offset(i_sh as isize); - let mut non0idxj: *mut i32 = *((*opt).sortedidx).offset(j_sh as isize); - let mut non0idxk: *mut i32 = *((*opt).sortedidx).offset(k_sh as isize); + let _non0idxi: *mut i32 = *((*opt).sortedidx).offset(i_sh as isize); + let _non0idxj: *mut i32 = *((*opt).sortedidx).offset(j_sh as isize); + let _non0idxk: *mut i32 = *((*opt).sortedidx).offset(k_sh as isize); let mut non0idxl: *mut i32 = *((*opt).sortedidx).offset(l_sh as isize); let mut expij: f64 = 0.; let mut expkl: f64 = 0.; diff --git a/src/eigh.rs b/src/eigh.rs index f2daf13..6f41573 100644 --- a/src/eigh.rs +++ b/src/eigh.rs @@ -1273,7 +1273,7 @@ unsafe extern "C" fn _dlar1v( mut diag_off1: *mut f64, mut ld: *mut f64, mut lld: *mut f64, - mut gaptol: f64, + _gaptol: f64, mut vec: *mut f64, mut negcnt: *mut i32, mut twist_index: *mut i32, diff --git a/src/fblas.rs b/src/fblas.rs index b790913..4274d63 100644 --- a/src/fblas.rs +++ b/src/fblas.rs @@ -34,7 +34,7 @@ pub unsafe extern "C" fn CINTdmat_transpose( ) { let mut i: i32 = 0; let mut j: i32 = 0; - let mut k: i32 = 0; + let _k: i32 = 0; j = 0 as i32; while j < n - 3 as i32 { i = 0 as i32; @@ -115,7 +115,7 @@ pub unsafe extern "C" fn CINTdplus_transpose( ) { let mut i: i32 = 0; let mut j: i32 = 0; - let mut k: i32 = 0; + let _k: i32 = 0; j = 0 as i32; while j < n - 3 as i32 { i = 0 as i32; diff --git a/src/g1e.rs b/src/g1e.rs index 1d0b9e3..f206eee 100644 --- a/src/g1e.rs +++ b/src/g1e.rs @@ -211,7 +211,7 @@ pub unsafe extern "C" fn CINTg1e_ovlp( return 1 as i32; } let mut rij: *mut f64 = ((*envs).rij).as_mut_ptr(); - let mut rirj: *mut f64 = ((*envs).rirj).as_mut_ptr(); + let rirj: *mut f64 = ((*envs).rirj).as_mut_ptr(); let mut lj: i32 = 0; let mut di: i32 = 0; let mut dj: i32 = 0; @@ -955,8 +955,8 @@ pub unsafe extern "C" fn CINTprim_to_ctr_0( mut nf: u64, mut nprim: i32, mut nctr: i32, - mut non0ctr: i32, - mut sortedidx: *mut i32, + _non0ctr: i32, + _sortedidx: *mut i32, ) { let mut i: i32 = 0; let mut n: u64 = 0; @@ -984,7 +984,7 @@ pub unsafe extern "C" fn CINTprim_to_ctr_1( mut coeff: *mut f64, mut nf: u64, mut nprim: i32, - mut nctr: i32, + _nctr: i32, mut non0ctr: i32, mut sortedidx: *mut i32, ) { diff --git a/src/g2e.rs b/src/g2e.rs index 630cf31..53b28ab 100644 --- a/src/g2e.rs +++ b/src/g2e.rs @@ -563,14 +563,14 @@ pub unsafe extern "C" fn CINTg0_2e_2d( let mut gy: *mut f64 = g.offset((*envs).g_size as isize); let mut gz: *mut f64 = g .offset(((*envs).g_size * 2 as i32) as isize); - let mut p0x: *mut f64 = 0 as *mut f64; - let mut p0y: *mut f64 = 0 as *mut f64; - let mut p0z: *mut f64 = 0 as *mut f64; - let mut p1x: *mut f64 = 0 as *mut f64; - let mut p1y: *mut f64 = 0 as *mut f64; - let mut p1z: *mut f64 = 0 as *mut f64; - let mut nb1: f64 = 0.; - let mut mb0: f64 = 0.; + let _p0x: *mut f64 = 0 as *mut f64; + let _p0y: *mut f64 = 0 as *mut f64; + let _p0z: *mut f64 = 0 as *mut f64; + let _p1x: *mut f64 = 0 as *mut f64; + let _p1y: *mut f64 = 0 as *mut f64; + let _p1z: *mut f64 = 0 as *mut f64; + let _nb1: f64 = 0.; + let _mb0: f64 = 0.; i = 0 as i32; while i < nroots { *gx.offset(i as isize) = 1 as f64; @@ -581,18 +581,18 @@ pub unsafe extern "C" fn CINTg0_2e_2d( let mut s0x: f64 = 0.; let mut s1x: f64 = 0.; let mut s2x: f64 = 0.; - let mut t0x: f64 = 0.; - let mut t1x: f64 = 0.; + let _t0x: f64 = 0.; + let _t1x: f64 = 0.; let mut s0y: f64 = 0.; let mut s1y: f64 = 0.; let mut s2y: f64 = 0.; - let mut t0y: f64 = 0.; - let mut t1y: f64 = 0.; + let _t0y: f64 = 0.; + let _t1y: f64 = 0.; let mut s0z: f64 = 0.; let mut s1z: f64 = 0.; let mut s2z: f64 = 0.; - let mut t0z: f64 = 0.; - let mut t1z: f64 = 0.; + let _t0z: f64 = 0.; + let _t1z: f64 = 0.; let mut c00x: f64 = 0.; let mut c00y: f64 = 0.; let mut c00z: f64 = 0.; @@ -1236,8 +1236,8 @@ pub unsafe extern "C" fn CINTg0_ik2d_4d( #[inline] unsafe extern "C" fn _g0_2d4d_0000( mut g: *mut f64, - mut bc: *mut Rys2eT, - mut envs: *mut CINTEnvVars, + _bc: *mut Rys2eT, + _envs: *mut CINTEnvVars, ) { *g.offset(0 as isize) = 1 as f64; *g.offset(1 as isize) = 1 as f64; @@ -1246,7 +1246,7 @@ unsafe extern "C" fn _g0_2d4d_0000( unsafe extern "C" fn _g0_2d4d_0001( mut g: *mut f64, mut bc: *mut Rys2eT, - mut envs: *mut CINTEnvVars, + _envs: *mut CINTEnvVars, ) { let mut cpx: *mut f64 = ((*bc).c0px).as_mut_ptr(); let mut cpy: *mut f64 = ((*bc).c0py).as_mut_ptr(); @@ -1265,7 +1265,7 @@ unsafe extern "C" fn _g0_2d4d_0001( unsafe extern "C" fn _g0_2d4d_0002( mut g: *mut f64, mut bc: *mut Rys2eT, - mut envs: *mut CINTEnvVars, + _envs: *mut CINTEnvVars, ) { let mut cpx: *mut f64 = ((*bc).c0px).as_mut_ptr(); let mut cpy: *mut f64 = ((*bc).c0py).as_mut_ptr(); @@ -1330,7 +1330,7 @@ unsafe extern "C" fn _g0_2d4d_0002( unsafe extern "C" fn _g0_2d4d_0003( mut g: *mut f64, mut bc: *mut Rys2eT, - mut envs: *mut CINTEnvVars, + _envs: *mut CINTEnvVars, ) { let mut cpx: *mut f64 = ((*bc).c0px).as_mut_ptr(); let mut cpy: *mut f64 = ((*bc).c0py).as_mut_ptr(); @@ -1437,7 +1437,7 @@ unsafe extern "C" fn _g0_2d4d_0003( unsafe extern "C" fn _g0_2d4d_0010( mut g: *mut f64, mut bc: *mut Rys2eT, - mut envs: *mut CINTEnvVars, + _envs: *mut CINTEnvVars, ) { let mut cpx: *mut f64 = ((*bc).c0px).as_mut_ptr(); let mut cpy: *mut f64 = ((*bc).c0py).as_mut_ptr(); @@ -1710,7 +1710,7 @@ unsafe extern "C" fn _g0_2d4d_0012( unsafe extern "C" fn _g0_2d4d_0020( mut g: *mut f64, mut bc: *mut Rys2eT, - mut envs: *mut CINTEnvVars, + _envs: *mut CINTEnvVars, ) { let mut cpx: *mut f64 = ((*bc).c0px).as_mut_ptr(); let mut cpy: *mut f64 = ((*bc).c0py).as_mut_ptr(); @@ -1941,7 +1941,7 @@ unsafe extern "C" fn _g0_2d4d_0021( unsafe extern "C" fn _g0_2d4d_0030( mut g: *mut f64, mut bc: *mut Rys2eT, - mut envs: *mut CINTEnvVars, + _envs: *mut CINTEnvVars, ) { let mut cpx: *mut f64 = ((*bc).c0px).as_mut_ptr(); let mut cpy: *mut f64 = ((*bc).c0py).as_mut_ptr(); @@ -2048,7 +2048,7 @@ unsafe extern "C" fn _g0_2d4d_0030( unsafe extern "C" fn _g0_2d4d_0100( mut g: *mut f64, mut bc: *mut Rys2eT, - mut envs: *mut CINTEnvVars, + _envs: *mut CINTEnvVars, ) { let mut c0x: *mut f64 = ((*bc).c00x).as_mut_ptr(); let mut c0y: *mut f64 = ((*bc).c00y).as_mut_ptr(); @@ -2067,7 +2067,7 @@ unsafe extern "C" fn _g0_2d4d_0100( unsafe extern "C" fn _g0_2d4d_0101( mut g: *mut f64, mut bc: *mut Rys2eT, - mut envs: *mut CINTEnvVars, + _envs: *mut CINTEnvVars, ) { let mut c0x: *mut f64 = ((*bc).c00x).as_mut_ptr(); let mut c0y: *mut f64 = ((*bc).c00y).as_mut_ptr(); @@ -2149,7 +2149,7 @@ unsafe extern "C" fn _g0_2d4d_0101( unsafe extern "C" fn _g0_2d4d_0102( mut g: *mut f64, mut bc: *mut Rys2eT, - mut envs: *mut CINTEnvVars, + _envs: *mut CINTEnvVars, ) { let mut c0x: *mut f64 = ((*bc).c00x).as_mut_ptr(); let mut c0y: *mut f64 = ((*bc).c00y).as_mut_ptr(); @@ -2312,7 +2312,7 @@ unsafe extern "C" fn _g0_2d4d_0102( unsafe extern "C" fn _g0_2d4d_0110( mut g: *mut f64, mut bc: *mut Rys2eT, - mut envs: *mut CINTEnvVars, + _envs: *mut CINTEnvVars, ) { let mut c0x: *mut f64 = ((*bc).c00x).as_mut_ptr(); let mut c0y: *mut f64 = ((*bc).c00y).as_mut_ptr(); @@ -2618,7 +2618,7 @@ unsafe extern "C" fn _g0_2d4d_0111( unsafe extern "C" fn _g0_2d4d_0120( mut g: *mut f64, mut bc: *mut Rys2eT, - mut envs: *mut CINTEnvVars, + _envs: *mut CINTEnvVars, ) { let mut c0x: *mut f64 = ((*bc).c00x).as_mut_ptr(); let mut c0y: *mut f64 = ((*bc).c00y).as_mut_ptr(); @@ -2781,7 +2781,7 @@ unsafe extern "C" fn _g0_2d4d_0120( unsafe extern "C" fn _g0_2d4d_0200( mut g: *mut f64, mut bc: *mut Rys2eT, - mut envs: *mut CINTEnvVars, + _envs: *mut CINTEnvVars, ) { let mut c0x: *mut f64 = ((*bc).c00x).as_mut_ptr(); let mut c0y: *mut f64 = ((*bc).c00y).as_mut_ptr(); @@ -2846,7 +2846,7 @@ unsafe extern "C" fn _g0_2d4d_0200( unsafe extern "C" fn _g0_2d4d_0201( mut g: *mut f64, mut bc: *mut Rys2eT, - mut envs: *mut CINTEnvVars, + _envs: *mut CINTEnvVars, ) { let mut c0x: *mut f64 = ((*bc).c00x).as_mut_ptr(); let mut c0y: *mut f64 = ((*bc).c00y).as_mut_ptr(); @@ -3009,7 +3009,7 @@ unsafe extern "C" fn _g0_2d4d_0201( unsafe extern "C" fn _g0_2d4d_0210( mut g: *mut f64, mut bc: *mut Rys2eT, - mut envs: *mut CINTEnvVars, + _envs: *mut CINTEnvVars, ) { let mut c0x: *mut f64 = ((*bc).c00x).as_mut_ptr(); let mut c0y: *mut f64 = ((*bc).c00y).as_mut_ptr(); @@ -3172,7 +3172,7 @@ unsafe extern "C" fn _g0_2d4d_0210( unsafe extern "C" fn _g0_2d4d_0300( mut g: *mut f64, mut bc: *mut Rys2eT, - mut envs: *mut CINTEnvVars, + _envs: *mut CINTEnvVars, ) { let mut c0x: *mut f64 = ((*bc).c00x).as_mut_ptr(); let mut c0y: *mut f64 = ((*bc).c00y).as_mut_ptr(); @@ -3279,7 +3279,7 @@ unsafe extern "C" fn _g0_2d4d_0300( unsafe extern "C" fn _g0_2d4d_1000( mut g: *mut f64, mut bc: *mut Rys2eT, - mut envs: *mut CINTEnvVars, + _envs: *mut CINTEnvVars, ) { let mut c0x: *mut f64 = ((*bc).c00x).as_mut_ptr(); let mut c0y: *mut f64 = ((*bc).c00y).as_mut_ptr(); @@ -3298,7 +3298,7 @@ unsafe extern "C" fn _g0_2d4d_1000( unsafe extern "C" fn _g0_2d4d_1001( mut g: *mut f64, mut bc: *mut Rys2eT, - mut envs: *mut CINTEnvVars, + _envs: *mut CINTEnvVars, ) { let mut c0x: *mut f64 = ((*bc).c00x).as_mut_ptr(); let mut c0y: *mut f64 = ((*bc).c00y).as_mut_ptr(); @@ -3380,7 +3380,7 @@ unsafe extern "C" fn _g0_2d4d_1001( unsafe extern "C" fn _g0_2d4d_1002( mut g: *mut f64, mut bc: *mut Rys2eT, - mut envs: *mut CINTEnvVars, + _envs: *mut CINTEnvVars, ) { let mut c0x: *mut f64 = ((*bc).c00x).as_mut_ptr(); let mut c0y: *mut f64 = ((*bc).c00y).as_mut_ptr(); @@ -3543,7 +3543,7 @@ unsafe extern "C" fn _g0_2d4d_1002( unsafe extern "C" fn _g0_2d4d_1010( mut g: *mut f64, mut bc: *mut Rys2eT, - mut envs: *mut CINTEnvVars, + _envs: *mut CINTEnvVars, ) { let mut c0x: *mut f64 = ((*bc).c00x).as_mut_ptr(); let mut c0y: *mut f64 = ((*bc).c00y).as_mut_ptr(); @@ -3849,7 +3849,7 @@ unsafe extern "C" fn _g0_2d4d_1011( unsafe extern "C" fn _g0_2d4d_1020( mut g: *mut f64, mut bc: *mut Rys2eT, - mut envs: *mut CINTEnvVars, + _envs: *mut CINTEnvVars, ) { let mut c0x: *mut f64 = ((*bc).c00x).as_mut_ptr(); let mut c0y: *mut f64 = ((*bc).c00y).as_mut_ptr(); @@ -4714,7 +4714,7 @@ unsafe extern "C" fn _g0_2d4d_1200( unsafe extern "C" fn _g0_2d4d_2000( mut g: *mut f64, mut bc: *mut Rys2eT, - mut envs: *mut CINTEnvVars, + _envs: *mut CINTEnvVars, ) { let mut c0x: *mut f64 = ((*bc).c00x).as_mut_ptr(); let mut c0y: *mut f64 = ((*bc).c00y).as_mut_ptr(); @@ -4779,7 +4779,7 @@ unsafe extern "C" fn _g0_2d4d_2000( unsafe extern "C" fn _g0_2d4d_2001( mut g: *mut f64, mut bc: *mut Rys2eT, - mut envs: *mut CINTEnvVars, + _envs: *mut CINTEnvVars, ) { let mut c0x: *mut f64 = ((*bc).c00x).as_mut_ptr(); let mut c0y: *mut f64 = ((*bc).c00y).as_mut_ptr(); @@ -4942,7 +4942,7 @@ unsafe extern "C" fn _g0_2d4d_2001( unsafe extern "C" fn _g0_2d4d_2010( mut g: *mut f64, mut bc: *mut Rys2eT, - mut envs: *mut CINTEnvVars, + _envs: *mut CINTEnvVars, ) { let mut c0x: *mut f64 = ((*bc).c00x).as_mut_ptr(); let mut c0y: *mut f64 = ((*bc).c00y).as_mut_ptr(); @@ -5271,7 +5271,7 @@ unsafe extern "C" fn _g0_2d4d_2100( unsafe extern "C" fn _g0_2d4d_3000( mut g: *mut f64, mut bc: *mut Rys2eT, - mut envs: *mut CINTEnvVars, + _envs: *mut CINTEnvVars, ) { let mut c0x: *mut f64 = ((*bc).c00x).as_mut_ptr(); let mut c0y: *mut f64 = ((*bc).c00y).as_mut_ptr(); @@ -5532,8 +5532,8 @@ pub unsafe extern "C" fn CINTg0_2e_2d4d_unrolled( #[inline] unsafe extern "C" fn _srg0_2d4d_0000( mut g: *mut f64, - mut bc: *mut Rys2eT, - mut envs: *mut CINTEnvVars, + _bc: *mut Rys2eT, + _envs: *mut CINTEnvVars, ) { *g.offset(0 as isize) = 1 as f64; *g.offset(1 as isize) = 1 as f64; @@ -5544,7 +5544,7 @@ unsafe extern "C" fn _srg0_2d4d_0000( unsafe extern "C" fn _srg0_2d4d_0001( mut g: *mut f64, mut bc: *mut Rys2eT, - mut envs: *mut CINTEnvVars, + _envs: *mut CINTEnvVars, ) { let mut cpx: *mut f64 = ((*bc).c0px).as_mut_ptr(); let mut cpy: *mut f64 = ((*bc).c0py).as_mut_ptr(); @@ -5572,7 +5572,7 @@ unsafe extern "C" fn _srg0_2d4d_0001( unsafe extern "C" fn _srg0_2d4d_0002( mut g: *mut f64, mut bc: *mut Rys2eT, - mut envs: *mut CINTEnvVars, + _envs: *mut CINTEnvVars, ) { let mut cpx: *mut f64 = ((*bc).c0px).as_mut_ptr(); let mut cpy: *mut f64 = ((*bc).c0py).as_mut_ptr(); @@ -5691,7 +5691,7 @@ unsafe extern "C" fn _srg0_2d4d_0002( unsafe extern "C" fn _srg0_2d4d_0003( mut g: *mut f64, mut bc: *mut Rys2eT, - mut envs: *mut CINTEnvVars, + _envs: *mut CINTEnvVars, ) { let mut cpx: *mut f64 = ((*bc).c0px).as_mut_ptr(); let mut cpy: *mut f64 = ((*bc).c0py).as_mut_ptr(); @@ -5894,7 +5894,7 @@ unsafe extern "C" fn _srg0_2d4d_0003( unsafe extern "C" fn _srg0_2d4d_0010( mut g: *mut f64, mut bc: *mut Rys2eT, - mut envs: *mut CINTEnvVars, + _envs: *mut CINTEnvVars, ) { let mut cpx: *mut f64 = ((*bc).c0px).as_mut_ptr(); let mut cpy: *mut f64 = ((*bc).c0py).as_mut_ptr(); @@ -6402,7 +6402,7 @@ unsafe extern "C" fn _srg0_2d4d_0012( unsafe extern "C" fn _srg0_2d4d_0020( mut g: *mut f64, mut bc: *mut Rys2eT, - mut envs: *mut CINTEnvVars, + _envs: *mut CINTEnvVars, ) { let mut cpx: *mut f64 = ((*bc).c0px).as_mut_ptr(); let mut cpy: *mut f64 = ((*bc).c0py).as_mut_ptr(); @@ -6851,7 +6851,7 @@ unsafe extern "C" fn _srg0_2d4d_0021( unsafe extern "C" fn _srg0_2d4d_0030( mut g: *mut f64, mut bc: *mut Rys2eT, - mut envs: *mut CINTEnvVars, + _envs: *mut CINTEnvVars, ) { let mut cpx: *mut f64 = ((*bc).c0px).as_mut_ptr(); let mut cpy: *mut f64 = ((*bc).c0py).as_mut_ptr(); @@ -7054,7 +7054,7 @@ unsafe extern "C" fn _srg0_2d4d_0030( unsafe extern "C" fn _srg0_2d4d_0100( mut g: *mut f64, mut bc: *mut Rys2eT, - mut envs: *mut CINTEnvVars, + _envs: *mut CINTEnvVars, ) { let mut c0x: *mut f64 = ((*bc).c00x).as_mut_ptr(); let mut c0y: *mut f64 = ((*bc).c00y).as_mut_ptr(); @@ -7082,7 +7082,7 @@ unsafe extern "C" fn _srg0_2d4d_0100( unsafe extern "C" fn _srg0_2d4d_0101( mut g: *mut f64, mut bc: *mut Rys2eT, - mut envs: *mut CINTEnvVars, + _envs: *mut CINTEnvVars, ) { let mut c0x: *mut f64 = ((*bc).c00x).as_mut_ptr(); let mut c0y: *mut f64 = ((*bc).c00y).as_mut_ptr(); @@ -7232,7 +7232,7 @@ unsafe extern "C" fn _srg0_2d4d_0101( unsafe extern "C" fn _srg0_2d4d_0102( mut g: *mut f64, mut bc: *mut Rys2eT, - mut envs: *mut CINTEnvVars, + _envs: *mut CINTEnvVars, ) { let mut c0x: *mut f64 = ((*bc).c00x).as_mut_ptr(); let mut c0y: *mut f64 = ((*bc).c00y).as_mut_ptr(); @@ -7547,7 +7547,7 @@ unsafe extern "C" fn _srg0_2d4d_0102( unsafe extern "C" fn _srg0_2d4d_0110( mut g: *mut f64, mut bc: *mut Rys2eT, - mut envs: *mut CINTEnvVars, + _envs: *mut CINTEnvVars, ) { let mut c0x: *mut f64 = ((*bc).c00x).as_mut_ptr(); let mut c0y: *mut f64 = ((*bc).c00y).as_mut_ptr(); @@ -8131,7 +8131,7 @@ unsafe extern "C" fn _srg0_2d4d_0111( unsafe extern "C" fn _srg0_2d4d_0120( mut g: *mut f64, mut bc: *mut Rys2eT, - mut envs: *mut CINTEnvVars, + _envs: *mut CINTEnvVars, ) { let mut c0x: *mut f64 = ((*bc).c00x).as_mut_ptr(); let mut c0y: *mut f64 = ((*bc).c00y).as_mut_ptr(); @@ -8446,7 +8446,7 @@ unsafe extern "C" fn _srg0_2d4d_0120( unsafe extern "C" fn _srg0_2d4d_0200( mut g: *mut f64, mut bc: *mut Rys2eT, - mut envs: *mut CINTEnvVars, + _envs: *mut CINTEnvVars, ) { let mut c0x: *mut f64 = ((*bc).c00x).as_mut_ptr(); let mut c0y: *mut f64 = ((*bc).c00y).as_mut_ptr(); @@ -8565,7 +8565,7 @@ unsafe extern "C" fn _srg0_2d4d_0200( unsafe extern "C" fn _srg0_2d4d_0201( mut g: *mut f64, mut bc: *mut Rys2eT, - mut envs: *mut CINTEnvVars, + _envs: *mut CINTEnvVars, ) { let mut c0x: *mut f64 = ((*bc).c00x).as_mut_ptr(); let mut c0y: *mut f64 = ((*bc).c00y).as_mut_ptr(); @@ -8880,7 +8880,7 @@ unsafe extern "C" fn _srg0_2d4d_0201( unsafe extern "C" fn _srg0_2d4d_0210( mut g: *mut f64, mut bc: *mut Rys2eT, - mut envs: *mut CINTEnvVars, + _envs: *mut CINTEnvVars, ) { let mut c0x: *mut f64 = ((*bc).c00x).as_mut_ptr(); let mut c0y: *mut f64 = ((*bc).c00y).as_mut_ptr(); @@ -9195,7 +9195,7 @@ unsafe extern "C" fn _srg0_2d4d_0210( unsafe extern "C" fn _srg0_2d4d_0300( mut g: *mut f64, mut bc: *mut Rys2eT, - mut envs: *mut CINTEnvVars, + _envs: *mut CINTEnvVars, ) { let mut c0x: *mut f64 = ((*bc).c00x).as_mut_ptr(); let mut c0y: *mut f64 = ((*bc).c00y).as_mut_ptr(); @@ -9398,7 +9398,7 @@ unsafe extern "C" fn _srg0_2d4d_0300( unsafe extern "C" fn _srg0_2d4d_1000( mut g: *mut f64, mut bc: *mut Rys2eT, - mut envs: *mut CINTEnvVars, + _envs: *mut CINTEnvVars, ) { let mut c0x: *mut f64 = ((*bc).c00x).as_mut_ptr(); let mut c0y: *mut f64 = ((*bc).c00y).as_mut_ptr(); @@ -9426,7 +9426,7 @@ unsafe extern "C" fn _srg0_2d4d_1000( unsafe extern "C" fn _srg0_2d4d_1001( mut g: *mut f64, mut bc: *mut Rys2eT, - mut envs: *mut CINTEnvVars, + _envs: *mut CINTEnvVars, ) { let mut c0x: *mut f64 = ((*bc).c00x).as_mut_ptr(); let mut c0y: *mut f64 = ((*bc).c00y).as_mut_ptr(); @@ -9576,7 +9576,7 @@ unsafe extern "C" fn _srg0_2d4d_1001( unsafe extern "C" fn _srg0_2d4d_1002( mut g: *mut f64, mut bc: *mut Rys2eT, - mut envs: *mut CINTEnvVars, + _envs: *mut CINTEnvVars, ) { let mut c0x: *mut f64 = ((*bc).c00x).as_mut_ptr(); let mut c0y: *mut f64 = ((*bc).c00y).as_mut_ptr(); @@ -9891,7 +9891,7 @@ unsafe extern "C" fn _srg0_2d4d_1002( unsafe extern "C" fn _srg0_2d4d_1010( mut g: *mut f64, mut bc: *mut Rys2eT, - mut envs: *mut CINTEnvVars, + _envs: *mut CINTEnvVars, ) { let mut c0x: *mut f64 = ((*bc).c00x).as_mut_ptr(); let mut c0y: *mut f64 = ((*bc).c00y).as_mut_ptr(); @@ -10481,7 +10481,7 @@ unsafe extern "C" fn _srg0_2d4d_1011( unsafe extern "C" fn _srg0_2d4d_1020( mut g: *mut f64, mut bc: *mut Rys2eT, - mut envs: *mut CINTEnvVars, + _envs: *mut CINTEnvVars, ) { let mut c0x: *mut f64 = ((*bc).c00x).as_mut_ptr(); let mut c0y: *mut f64 = ((*bc).c00y).as_mut_ptr(); @@ -12144,7 +12144,7 @@ unsafe extern "C" fn _srg0_2d4d_1200( unsafe extern "C" fn _srg0_2d4d_2000( mut g: *mut f64, mut bc: *mut Rys2eT, - mut envs: *mut CINTEnvVars, + _envs: *mut CINTEnvVars, ) { let mut c0x: *mut f64 = ((*bc).c00x).as_mut_ptr(); let mut c0y: *mut f64 = ((*bc).c00y).as_mut_ptr(); @@ -12263,7 +12263,7 @@ unsafe extern "C" fn _srg0_2d4d_2000( unsafe extern "C" fn _srg0_2d4d_2001( mut g: *mut f64, mut bc: *mut Rys2eT, - mut envs: *mut CINTEnvVars, + _envs: *mut CINTEnvVars, ) { let mut c0x: *mut f64 = ((*bc).c00x).as_mut_ptr(); let mut c0y: *mut f64 = ((*bc).c00y).as_mut_ptr(); @@ -12578,7 +12578,7 @@ unsafe extern "C" fn _srg0_2d4d_2001( unsafe extern "C" fn _srg0_2d4d_2010( mut g: *mut f64, mut bc: *mut Rys2eT, - mut envs: *mut CINTEnvVars, + _envs: *mut CINTEnvVars, ) { let mut c0x: *mut f64 = ((*bc).c00x).as_mut_ptr(); let mut c0y: *mut f64 = ((*bc).c00y).as_mut_ptr(); @@ -13223,7 +13223,7 @@ unsafe extern "C" fn _srg0_2d4d_2100( unsafe extern "C" fn _srg0_2d4d_3000( mut g: *mut f64, mut bc: *mut Rys2eT, - mut envs: *mut CINTEnvVars, + _envs: *mut CINTEnvVars, ) { let mut c0x: *mut f64 = ((*bc).c00x).as_mut_ptr(); let mut c0y: *mut f64 = ((*bc).c00y).as_mut_ptr(); diff --git a/src/h2_stv_simpler.rs b/src/h2_stv_simpler.rs new file mode 100644 index 0000000..e0addd9 --- /dev/null +++ b/src/h2_stv_simpler.rs @@ -0,0 +1,125 @@ +#![feature(autodiff)] +use std::io; + +use librint::cint_bas::CINTcgto_cart; +use librint::cint1e::cint1e_ovlp_cart; +use librint::scf::nmol; +use librint::utils::read_basis; +use std::autodiff::*; +use std::env; +use std::time::Instant; + + +pub const ATM_SLOTS: usize = 6; +pub const BAS_SLOTS: usize = 8; + +#[no_mangle] +#[autodiff_forward(dovlpp, Dual, Const, Const, Const, Const, Const, Dual)] +fn ovlpp( + out: &mut [f64], + shls: &mut [i32], + atm: &mut [i32], + natm: usize, + bas: &mut [i32], + nbas: usize, + env: &mut [f64] +) { + cint1e_ovlp_cart( + out, + shls, + atm, + natm as i32, + bas, + nbas as i32, + env, + std::ptr::null_mut(), + ); +} + + +fn main() { + let args: Vec = env::args().collect(); + + if args.len() < 2 { + eprintln!("Usage: {} file", args[0]); + std::process::exit(1); + } + + let path = &args[1]; + + let mut atm: Vec = Vec::new(); + let mut bas: Vec = Vec::new(); + let mut env: Vec = Vec::new(); + + _ = read_basis(&path, &mut atm, &mut bas, &mut env); + + let (natm, nbas) = nmol(&mut atm, &mut bas); + + let mut shls: [i32; 4] = [0, 0, 0, 0]; + + let mut total_ovlp_time = 0.0; + let mut total_dovlp_time = 0.0; + let mut count = 0; + + println!("{} {}", natm, nbas); + + for i in 0..nbas { + for j in 0..nbas { + shls[0] = i as i32; + shls[1] = j as i32; + + let di = CINTcgto_cart(i, &bas); + let dj = CINTcgto_cart(j, &bas); + + let size = (di * dj) as usize; + let mut buf = vec![0.0; size]; + let mut dbuf = vec![0.0; size]; + + dbuf[0] = 1.0; + + // fix + // loop through di * dj + + // Time primal function + let start_ovlp = Instant::now(); + ovlpp( + &mut buf, + &mut shls, + &mut atm, + natm, + &mut bas, + nbas, + &mut env, + ); + let duration_ovlp = start_ovlp.elapsed().as_secs_f64(); + total_ovlp_time += duration_ovlp; + + // Time autodiff function + let mut denv = vec![0.0f64; env.len()]; + let start_dovlp = Instant::now(); + dovlpp( + &mut buf, + &mut dbuf, + &mut shls, + &mut atm, + natm, + &mut bas, + nbas, + &mut env, + &mut denv, + ); + let duration_dovlp = start_dovlp.elapsed().as_secs_f64(); + total_dovlp_time += duration_dovlp; + + count += 1; + } + } + + println!("count {}", count); + println!("total ovlp time: {:.6} sec", total_ovlp_time); + println!("total dovlp time: {:.6} sec", total_dovlp_time); + println!("average ovlp time: {:.6} sec", total_ovlp_time / count as f64); + println!("average dovlp time: {:.6} sec", total_dovlp_time / count as f64); + println!("avg overhead: {:.6}", total_dovlp_time / total_ovlp_time); +} + diff --git a/src/intor1.rs b/src/intor1.rs index 002f78c..d6fcda1 100644 --- a/src/intor1.rs +++ b/src/intor1.rs @@ -142,7 +142,7 @@ pub unsafe extern "C" fn int1e_kin_cart( mut bas: *mut i32, mut nbas: i32, mut env: *mut f64, - mut opt: *mut CINTOpt, + _opt: *mut CINTOpt, mut cache: *mut f64, ) -> i32 { let mut ng: [i32; 8] = [ @@ -223,7 +223,7 @@ pub unsafe extern "C" fn int1e_kin_sph( mut bas: *mut i32, mut nbas: i32, mut env: *mut f64, - mut opt: *mut CINTOpt, + _opt: *mut CINTOpt, mut cache: *mut f64, ) -> i32 { let mut ng: [i32; 8] = [ @@ -296,16 +296,16 @@ pub unsafe extern "C" fn int1e_kin_sph( } #[no_mangle] pub unsafe extern "C" fn int1e_kin_spinor( - mut out: *mut f64, - mut dims: *mut i32, + _out: *mut f64, + _dims: *mut i32, mut shls: *mut i32, mut atm: *mut i32, mut natm: i32, mut bas: *mut i32, mut nbas: i32, mut env: *mut f64, - mut opt: *mut CINTOpt, - mut cache: *mut f64, + _opt: *mut CINTOpt, + _cache: *mut f64, ) -> i32 { let mut ng: [i32; 8] = [ 0 as i32, diff --git a/src/optimizer.rs b/src/optimizer.rs index 35fece5..24bea59 100644 --- a/src/optimizer.rs +++ b/src/optimizer.rs @@ -27,11 +27,11 @@ extern "C" { #[no_mangle] pub unsafe extern "C" fn CINTinit_2e_optimizer( mut opt: *mut *mut CINTOpt, - mut atm: *mut i32, - mut natm: i32, - mut bas: *mut i32, + _atm: *mut i32, + _natm: i32, + _bas: *mut i32, mut nbas: i32, - mut env: *mut f64, + _env: *mut f64, ) { let mut opt0: *mut CINTOpt = malloc( ::core::mem::size_of::() as libc::c_ulong, @@ -94,11 +94,11 @@ pub unsafe extern "C" fn CINTdel_optimizer(mut opt: *mut *mut CINTOpt) { #[no_mangle] pub unsafe extern "C" fn CINTno_optimizer( mut opt: *mut *mut CINTOpt, - mut atm: *mut i32, - mut natm: i32, - mut bas: *mut i32, - mut nbas: i32, - mut env: *mut f64, + _atm: *mut i32, + _natm: i32, + _bas: *mut i32, + _nbas: i32, + _env: *mut f64, ) { *opt = 0 as *mut CINTOpt; } @@ -106,7 +106,7 @@ unsafe extern "C" fn _make_fakebas( mut fakebas: *mut i32, mut bas: *mut i32, mut nbas: i32, - mut env: *mut f64, + _env: *mut f64, ) -> i32 { let mut i: i32 = 0; let mut max_l: i32 = 0 as i32; @@ -756,8 +756,8 @@ pub unsafe extern "C" fn CINTOpt_log_max_pgto_coeff( #[no_mangle] pub unsafe extern "C" fn CINTOpt_set_log_maxc( mut opt: *mut CINTOpt, - mut atm: *mut i32, - mut natm: i32, + _atm: *mut i32, + _natm: i32, mut bas: *mut i32, mut nbas: i32, mut env: *mut f64, @@ -1160,8 +1160,8 @@ pub unsafe extern "C" fn CINTOpt_non0coeff_byshell( #[no_mangle] pub unsafe extern "C" fn CINTOpt_set_non0coeff( mut opt: *mut CINTOpt, - mut atm: *mut i32, - mut natm: i32, + _atm: *mut i32, + _natm: i32, mut bas: *mut i32, mut nbas: i32, mut env: *mut f64, diff --git a/src/rys_roots.rs b/src/rys_roots.rs index 17632f2..930dc19 100644 --- a/src/rys_roots.rs +++ b/src/rys_roots.rs @@ -5733,8 +5733,8 @@ pub unsafe extern "C" fn CINTlrys_schmidt( } if nroots == 1 as i32 { rt[0 as i32 - as usize] = (fmt_ints[1 as usize] - / fmt_ints[0 as usize]); + as usize] = fmt_ints[1 as usize] + / fmt_ints[0 as usize]; } else { error = R_lsmit(qcs, fmt_ints.as_mut_ptr(), nroots1); if error != 0 { @@ -5747,7 +5747,7 @@ pub unsafe extern "C" fn CINTlrys_schmidt( *cs .offset( (k * nroots1 + i) as isize, - ) = (*qcs.offset((k * nroots1 + i) as isize)); + ) = *qcs.offset((k * nroots1 + i) as isize); i += 1; i; } @@ -5759,7 +5759,7 @@ pub unsafe extern "C" fn CINTlrys_schmidt( return error; } } - dum0 = (1.0f64 / fmt_ints[0 as usize]); + dum0 = 1.0f64 / fmt_ints[0 as usize]; k = 0 as i32; while k < nroots { root = rt[k as usize]; diff --git a/src/rys_wheeler.rs b/src/rys_wheeler.rs index 8bae984..978b55a 100644 --- a/src/rys_wheeler.rs +++ b/src/rys_wheeler.rs @@ -5557,11 +5557,11 @@ unsafe extern "C" fn lrys_wheeler_partial( let mut da: [f64; 1088] = [0.; 1088]; let mut db: *mut f64 = da.as_mut_ptr().offset(n as isize); let mut c0: *mut f64 = db.offset(n as isize); - let mut mu0: f64 = (*moments.offset(0 as isize)); + let mut mu0: f64 = *moments.offset(0 as isize); let mut first_seen: i32 = 1 as i32; let mut i: i32 = 0; lwheeler_recursion(n, alpha, beta, moments, a.as_mut_ptr(), b); - da[0 as usize] = (a[0 as usize]); + da[0 as usize] = a[0 as usize]; i = 1 as i32; while i < n { if *b.offset(i as isize) < 1e-19f64 { @@ -5578,8 +5578,8 @@ unsafe extern "C" fn lrys_wheeler_partial( } first_seen = 0 as i32; } - da[i as usize] = (a[i as usize]); - *db.offset(i as isize) = (sqrtl(*b.offset(i as isize))); + da[i as usize] = a[i as usize]; + *db.offset(i as isize) = sqrtl(*b.offset(i as isize)); i += 1; i; } From 55a88fda4520d6c09371d81c9d3555adfd91a6c1 Mon Sep 17 00:00:00 2001 From: Manuel Drehwald Date: Fri, 20 Mar 2026 17:18:18 -0400 Subject: [PATCH 08/37] const --- src/optimizer.rs | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/src/optimizer.rs b/src/optimizer.rs index 24bea59..f144020 100644 --- a/src/optimizer.rs +++ b/src/optimizer.rs @@ -815,8 +815,8 @@ pub unsafe extern "C" fn CINTset_pairdata( mut pairdata: *mut PairData, mut ai: *mut f64, mut aj: *mut f64, - mut ri: *mut f64, - mut rj: *mut f64, + ri: *const f64, + rj: *const f64, mut log_maxci: *mut f64, mut log_maxcj: *mut f64, mut li_ceil: i32, From 7021a625b4d1e210949bb6426834f29a6d42a23a Mon Sep 17 00:00:00 2001 From: Manuel Drehwald Date: Fri, 20 Mar 2026 17:26:04 -0400 Subject: [PATCH 09/37] const --- src/g1e.rs | 8 ++++---- src/optimizer.rs | 6 +++--- 2 files changed, 7 insertions(+), 7 deletions(-) diff --git a/src/g1e.rs b/src/g1e.rs index f206eee..04e06a4 100644 --- a/src/g1e.rs +++ b/src/g1e.rs @@ -20,14 +20,14 @@ fn SQUARE(r: *mut f64) -> f64 { } #[no_mangle] -pub unsafe extern "C" fn CINTinit_int1e_EnvVars( +pub unsafe fn CINTinit_int1e_EnvVars( mut envs: *mut CINTEnvVars, - mut ng: &[i32;8], + ng: &[i32;8], mut shls: *mut i32, mut atm: *mut i32, - mut natm: i32, + natm: i32, mut bas: *mut i32, - mut nbas: i32, + nbas: i32, mut env: *mut f64, ) { (*envs).natm = natm; diff --git a/src/optimizer.rs b/src/optimizer.rs index f144020..3841602 100644 --- a/src/optimizer.rs +++ b/src/optimizer.rs @@ -183,7 +183,7 @@ unsafe extern "C" fn gen_idx( mut findex_xyz: Option:: ()>, mut order: i32, mut l_allow: i32, - mut ng: &[i32;8], + ng: &[i32;8], mut atm: *mut i32, mut natm: i32, mut bas: *mut i32, @@ -364,7 +364,7 @@ pub unsafe extern "C" fn CINTall_1e_optimizer( *opt, ::core::mem::transmute::< Option::< - unsafe extern "C" fn( + unsafe fn( *mut CINTEnvVars, &[i32;8], *mut i32, @@ -379,7 +379,7 @@ pub unsafe extern "C" fn CINTall_1e_optimizer( >( Some( CINTinit_int1e_EnvVars - as unsafe extern "C" fn( + as unsafe fn( *mut CINTEnvVars, &[i32;8], *mut i32, From 6df7580f18a2bafd8d126fa047a480ea4ebf0b2a Mon Sep 17 00:00:00 2001 From: Manuel Drehwald Date: Fri, 20 Mar 2026 17:38:29 -0400 Subject: [PATCH 10/37] const --- src/g1e.rs | 10 +++++----- 1 file changed, 5 insertions(+), 5 deletions(-) diff --git a/src/g1e.rs b/src/g1e.rs index 04e06a4..139d9c2 100644 --- a/src/g1e.rs +++ b/src/g1e.rs @@ -21,14 +21,14 @@ fn SQUARE(r: *mut f64) -> f64 { #[no_mangle] pub unsafe fn CINTinit_int1e_EnvVars( - mut envs: *mut CINTEnvVars, + envs: *mut CINTEnvVars, ng: &[i32;8], - mut shls: *mut i32, - mut atm: *mut i32, + shls: *mut i32, + atm: *mut i32, natm: i32, - mut bas: *mut i32, + bas: *mut i32, nbas: i32, - mut env: *mut f64, + env: *mut f64, ) { (*envs).natm = natm; (*envs).nbas = nbas; From fe473ae63502c3d83176abee9ea7504d432f6cd2 Mon Sep 17 00:00:00 2001 From: Manuel Drehwald Date: Fri, 20 Mar 2026 18:00:28 -0400 Subject: [PATCH 11/37] const --- src/cint1e.rs | 36 ++++++++++++++++++------------------ src/g1e.rs | 4 ++-- src/optimizer.rs | 18 +++++++++--------- 3 files changed, 29 insertions(+), 29 deletions(-) diff --git a/src/cint1e.rs b/src/cint1e.rs index 65397c0..e5e08d3 100644 --- a/src/cint1e.rs +++ b/src/cint1e.rs @@ -27,41 +27,41 @@ extern "C" { } #[no_mangle] -pub unsafe extern "C" fn CINT1e_loop( - mut gctr: *mut f64, - mut envs: *mut CINTEnvVars, +pub unsafe fn CINT1e_loop( + gctr: *mut f64, + envs: *mut CINTEnvVars, mut cache: *mut f64, int1e_type: i32, ) -> i32 { - let mut shls: *mut i32 = (*envs).shls; - let mut bas: *mut i32 = (*envs).bas; - let mut env: *mut f64 = (*envs).env; - let mut i_sh: i32 = *shls.offset(0 as isize); - let mut j_sh: i32 = *shls.offset(1 as isize); - let mut i_ctr: i32 = (*envs).x_ctr[0 as usize]; - let mut j_ctr: i32 = (*envs).x_ctr[1 as usize]; - let mut i_prim: i32 = *bas + let shls: *mut i32 = (*envs).shls; + let bas: *mut i32 = (*envs).bas; + let env: *const f64 = (*envs).env; + let i_sh: i32 = *shls.offset(0 as isize); + let j_sh: i32 = *shls.offset(1 as isize); + let i_ctr: i32 = (*envs).x_ctr[0 as usize]; + let j_ctr: i32 = (*envs).x_ctr[1 as usize]; + let i_prim: i32 = *bas .offset((8 as i32 * i_sh + 2 as i32) as isize); - let mut j_prim: i32 = *bas + let j_prim: i32 = *bas .offset((8 as i32 * j_sh + 2 as i32) as isize); - let mut ai: *mut f64 = env + let ai: *const f64 = env .offset( *bas.offset((8 as i32 * i_sh + 5 as i32) as isize) as isize, ); - let mut aj: *mut f64 = env + let aj: *const f64 = env .offset( *bas.offset((8 as i32 * j_sh + 5 as i32) as isize) as isize, ); - let mut ci: *mut f64 = env + let ci: *const f64 = env .offset( *bas.offset((8 as i32 * i_sh + 6 as i32) as isize) as isize, ); - let mut cj: *mut f64 = env + let cj: *const f64 = env .offset( *bas.offset((8 as i32 * j_sh + 6 as i32) as isize) as isize, ); - let mut n_comp: i32 = (*envs).ncomp_e1 * (*envs).ncomp_tensor; - let mut expcutoff: f64 = (*envs).expcutoff; + let n_comp: i32 = (*envs).ncomp_e1 * (*envs).ncomp_tensor; + let expcutoff: f64 = (*envs).expcutoff; let mut log_maxci: *mut f64 = 0 as *mut f64; let mut log_maxcj: *mut f64 = 0 as *mut f64; let mut pdata_base: *mut PairData = 0 as *mut PairData; diff --git a/src/g1e.rs b/src/g1e.rs index 139d9c2..5b65844 100644 --- a/src/g1e.rs +++ b/src/g1e.rs @@ -951,7 +951,7 @@ pub unsafe extern "C" fn CINTprim_to_ctr( pub unsafe extern "C" fn CINTprim_to_ctr_0( mut gc: *mut f64, mut gp: *mut f64, - mut coeff: *mut f64, + coeff: *const f64, mut nf: u64, mut nprim: i32, mut nctr: i32, @@ -981,7 +981,7 @@ pub unsafe extern "C" fn CINTprim_to_ctr_0( pub unsafe extern "C" fn CINTprim_to_ctr_1( mut gc: *mut f64, mut gp: *mut f64, - mut coeff: *mut f64, + coeff: *const f64, mut nf: u64, mut nprim: i32, _nctr: i32, diff --git a/src/optimizer.rs b/src/optimizer.rs index 3841602..014ba8e 100644 --- a/src/optimizer.rs +++ b/src/optimizer.rs @@ -727,10 +727,10 @@ pub unsafe extern "C" fn CINTall_2e_optimizer( // } #[no_mangle] pub unsafe extern "C" fn CINTOpt_log_max_pgto_coeff( - mut log_maxc: *mut f64, - mut coeff: *mut f64, - mut nprim: i32, - mut nctr: i32, + log_maxc: *mut f64, + coeff: *const f64, + nprim: i32, + nctr: i32, ) { let mut i: i32 = 0; let mut ip: i32 = 0; @@ -811,10 +811,10 @@ pub unsafe extern "C" fn CINTOpt_set_log_maxc( } } #[no_mangle] -pub unsafe extern "C" fn CINTset_pairdata( +pub unsafe fn CINTset_pairdata( mut pairdata: *mut PairData, - mut ai: *mut f64, - mut aj: *mut f64, + ai: *const f64, + aj: *const f64, ri: *const f64, rj: *const f64, mut log_maxci: *mut f64, @@ -825,7 +825,7 @@ pub unsafe extern "C" fn CINTset_pairdata( mut jprim: i32, mut rr_ij: f64, mut expcutoff: f64, - mut env: *mut f64, + mut env: *const f64, ) -> i32 { let mut ip: i32 = 0; let mut jp: i32 = 0; @@ -1114,7 +1114,7 @@ pub unsafe extern "C" fn CINTdel_pairdata_optimizer(mut cintopt: *mut CINTOpt) { pub unsafe extern "C" fn CINTOpt_non0coeff_byshell( mut sortedidx: *mut i32, mut non0ctr: *mut i32, - mut ci: *mut f64, + ci: *const f64, mut iprim: i32, mut ictr: i32, ) { From 00a865d68bb81c31559a0457ed6618ec9f286d7c Mon Sep 17 00:00:00 2001 From: Manuel Drehwald Date: Fri, 20 Mar 2026 18:03:15 -0400 Subject: [PATCH 12/37] const --- src/cint1e.rs | 6 ++---- 1 file changed, 2 insertions(+), 4 deletions(-) diff --git a/src/cint1e.rs b/src/cint1e.rs index e5e08d3..394383c 100644 --- a/src/cint1e.rs +++ b/src/cint1e.rs @@ -62,11 +62,9 @@ pub unsafe fn CINT1e_loop( ); let n_comp: i32 = (*envs).ncomp_e1 * (*envs).ncomp_tensor; let expcutoff: f64 = (*envs).expcutoff; - let mut log_maxci: *mut f64 = 0 as *mut f64; - let mut log_maxcj: *mut f64 = 0 as *mut f64; let mut pdata_base: *mut PairData = 0 as *mut PairData; let mut pdata_ij: *mut PairData = 0 as *mut PairData; - log_maxci = ((cache as uintptr_t).wrapping_add(7 as u64) + let log_maxci = ((cache as uintptr_t).wrapping_add(7 as u64) & (8 as uintptr_t).wrapping_neg()) as *mut libc::c_void as *mut f64; cache = log_maxci.offset((i_prim + j_prim) as isize); @@ -74,7 +72,7 @@ pub unsafe fn CINT1e_loop( & (8 as uintptr_t).wrapping_neg()) as *mut libc::c_void as *mut PairData; cache = pdata_base.offset((i_prim * j_prim) as isize) as *mut f64; - log_maxcj = log_maxci.offset(i_prim as isize); + let log_maxcj = log_maxci.offset(i_prim as isize); CINTOpt_log_max_pgto_coeff(log_maxci, ci, i_prim, i_ctr); CINTOpt_log_max_pgto_coeff(log_maxcj, cj, j_prim, j_ctr); if CINTset_pairdata( From 84bb5353306d1ba95427fcb2be829c5b0f9711c9 Mon Sep 17 00:00:00 2001 From: Manuel Drehwald Date: Fri, 20 Mar 2026 18:04:03 -0400 Subject: [PATCH 13/37] const --- src/cint1e.rs | 3 +-- 1 file changed, 1 insertion(+), 2 deletions(-) diff --git a/src/cint1e.rs b/src/cint1e.rs index 394383c..f1ccd65 100644 --- a/src/cint1e.rs +++ b/src/cint1e.rs @@ -62,13 +62,12 @@ pub unsafe fn CINT1e_loop( ); let n_comp: i32 = (*envs).ncomp_e1 * (*envs).ncomp_tensor; let expcutoff: f64 = (*envs).expcutoff; - let mut pdata_base: *mut PairData = 0 as *mut PairData; let mut pdata_ij: *mut PairData = 0 as *mut PairData; let log_maxci = ((cache as uintptr_t).wrapping_add(7 as u64) & (8 as uintptr_t).wrapping_neg()) as *mut libc::c_void as *mut f64; cache = log_maxci.offset((i_prim + j_prim) as isize); - pdata_base = ((cache as uintptr_t).wrapping_add(7 as u64) + let pdata_base = ((cache as uintptr_t).wrapping_add(7 as u64) & (8 as uintptr_t).wrapping_neg()) as *mut libc::c_void as *mut PairData; cache = pdata_base.offset((i_prim * j_prim) as isize) as *mut f64; From f752cca9dac9957aa62c62f4be19c0d3d199c54c Mon Sep 17 00:00:00 2001 From: Manuel Drehwald Date: Fri, 20 Mar 2026 18:13:20 -0400 Subject: [PATCH 14/37] iffy --- src/cint1e.rs | 2 +- src/cint2e.rs | 14 +++++++------- src/g1e.rs | 20 ++++++++++---------- src/g2e.rs | 32 ++++++++++++++++---------------- src/optimizer.rs | 14 +++++++------- 5 files changed, 41 insertions(+), 41 deletions(-) diff --git a/src/cint1e.rs b/src/cint1e.rs index f1ccd65..373cdcf 100644 --- a/src/cint1e.rs +++ b/src/cint1e.rs @@ -123,7 +123,7 @@ pub unsafe fn CINT1e_loop( & (8 as uintptr_t).wrapping_neg()) as *mut libc::c_void as *mut i32; cache = idx.offset(((*envs).nf * 3 as i32) as isize) as *mut f64; - CINTg1e_index_xyz(idx, envs); + CINTg1e_index_xyz(idx, &*envs); let mut non0ctri: *mut i32 = 0 as *mut i32; let mut non0ctrj: *mut i32 = 0 as *mut i32; let mut non0idxi: *mut i32 = 0 as *mut i32; diff --git a/src/cint2e.rs b/src/cint2e.rs index 4cf4a99..3c33a6c 100644 --- a/src/cint2e.rs +++ b/src/cint2e.rs @@ -216,7 +216,7 @@ pub unsafe extern "C" fn CINT2e_loop_nopt( as *mut i32; cache = idx.offset(nf.wrapping_mul(3 as u64) as isize) as *mut f64; - CINTg2e_index_xyz(idx, envs); + CINTg2e_index_xyz(idx, &*envs); let mut non0ctri: *mut i32 = 0 as *mut i32; let mut non0ctrj: *mut i32 = 0 as *mut i32; let mut non0ctrk: *mut i32 = 0 as *mut i32; @@ -746,7 +746,7 @@ pub unsafe extern "C" fn CINT2e_1111_loop( as *mut i32; cache = idx.offset(nf.wrapping_mul(3 as u64) as isize) as *mut f64; - CINTg2e_index_xyz(idx, envs); + CINTg2e_index_xyz(idx, &*envs); } let mut omega: f64 = *env.offset(8 as isize); if omega < 0 as f64 && (*envs).rys_order > 1 as i32 @@ -1081,7 +1081,7 @@ pub unsafe extern "C" fn CINT2e_n111_loop( as *mut i32; cache = idx.offset(nf.wrapping_mul(3 as u64) as isize) as *mut f64; - CINTg2e_index_xyz(idx, envs); + CINTg2e_index_xyz(idx, &*envs); } let mut omega: f64 = *env.offset(8 as isize); if omega < 0 as f64 && (*envs).rys_order > 1 as i32 @@ -1450,7 +1450,7 @@ pub unsafe extern "C" fn CINT2e_1n11_loop( as *mut i32; cache = idx.offset(nf.wrapping_mul(3 as u64) as isize) as *mut f64; - CINTg2e_index_xyz(idx, envs); + CINTg2e_index_xyz(idx, &*envs); } let mut omega: f64 = *env.offset(8 as isize); if omega < 0 as f64 && (*envs).rys_order > 1 as i32 @@ -1821,7 +1821,7 @@ pub unsafe extern "C" fn CINT2e_11n1_loop( as *mut i32; cache = idx.offset(nf.wrapping_mul(3 as u64) as isize) as *mut f64; - CINTg2e_index_xyz(idx, envs); + CINTg2e_index_xyz(idx, &*envs); } let mut omega: f64 = *env.offset(8 as isize); if omega < 0 as f64 && (*envs).rys_order > 1 as i32 @@ -2192,7 +2192,7 @@ pub unsafe extern "C" fn CINT2e_111n_loop( as *mut i32; cache = idx.offset(nf.wrapping_mul(3 as u64) as isize) as *mut f64; - CINTg2e_index_xyz(idx, envs); + CINTg2e_index_xyz(idx, &*envs); } let mut omega: f64 = *env.offset(8 as isize); if omega < 0 as f64 && (*envs).rys_order > 1 as i32 @@ -2563,7 +2563,7 @@ pub unsafe extern "C" fn CINT2e_loop( as *mut i32; cache = idx.offset(nf.wrapping_mul(3 as u64) as isize) as *mut f64; - CINTg2e_index_xyz(idx, envs); + CINTg2e_index_xyz(idx, &*envs); } let mut omega: f64 = *env.offset(8 as isize); if omega < 0 as f64 && (*envs).rys_order > 1 as i32 diff --git a/src/g1e.rs b/src/g1e.rs index 5b65844..f31c5ce 100644 --- a/src/g1e.rs +++ b/src/g1e.rs @@ -138,16 +138,16 @@ pub unsafe fn CINTinit_int1e_EnvVars( (*envs).g_stride_l = (*envs).g_size; } #[no_mangle] -pub unsafe extern "C" fn CINTg1e_index_xyz( +pub unsafe fn CINTg1e_index_xyz( mut idx: *mut i32, - envs: *const CINTEnvVars, + envs: &CINTEnvVars, ) { - let i_l: i32 = (*envs).i_l; - let j_l: i32 = (*envs).j_l; - let nfi: i32 = (*envs).nfi; - let nfj: i32 = (*envs).nfj; - let di: i32 = (*envs).g_stride_i; - let dj: i32 = (*envs).g_stride_j; + let i_l: i32 = envs.i_l; + let j_l: i32 = envs.j_l; + let nfi: i32 = envs.nfi; + let nfj: i32 = envs.nfj; + let di: i32 = envs.g_stride_i; + let dj: i32 = envs.g_stride_j; let mut i: i32 = 0; let mut j: i32 = 0; let mut n: i32 = 0; @@ -166,8 +166,8 @@ pub unsafe extern "C" fn CINTg1e_index_xyz( CINTcart_comp(i_nx.as_mut_ptr(), i_ny.as_mut_ptr(), i_nz.as_mut_ptr(), i_l); CINTcart_comp(j_nx.as_mut_ptr(), j_ny.as_mut_ptr(), j_nz.as_mut_ptr(), j_l); ofx = 0 as i32; - ofy = (*envs).g_size; - ofz = (*envs).g_size * 2 as i32; + ofy = envs.g_size; + ofz = envs.g_size * 2 as i32; n = 0 as i32; j = 0 as i32; while j < nfj { diff --git a/src/g2e.rs b/src/g2e.rs index 53b28ab..7b83db0 100644 --- a/src/g2e.rs +++ b/src/g2e.rs @@ -401,22 +401,22 @@ pub unsafe extern "C" fn CINTinit_int2e_EnvVars( ); } #[no_mangle] -pub unsafe extern "C" fn CINTg2e_index_xyz( +pub unsafe fn CINTg2e_index_xyz( mut idx: *mut i32, - mut envs: *const CINTEnvVars, + envs: &CINTEnvVars, ) { - let i_l: i32 = (*envs).i_l; - let j_l: i32 = (*envs).j_l; - let k_l: i32 = (*envs).k_l; - let l_l: i32 = (*envs).l_l; - let nfi: i32 = (*envs).nfi; - let nfj: i32 = (*envs).nfj; - let nfk: i32 = (*envs).c2rust_unnamed.nfk; - let nfl: i32 = (*envs).c2rust_unnamed_0.nfl; - let di: i32 = (*envs).g_stride_i; - let dk: i32 = (*envs).g_stride_k; - let dl: i32 = (*envs).g_stride_l; - let dj: i32 = (*envs).g_stride_j; + let i_l: i32 = envs.i_l; + let j_l: i32 = envs.j_l; + let k_l: i32 = envs.k_l; + let l_l: i32 = envs.l_l; + let nfi: i32 = envs.nfi; + let nfj: i32 = envs.nfj; + let nfk: i32 = envs.c2rust_unnamed.nfk; + let nfl: i32 = envs.c2rust_unnamed_0.nfl; + let di: i32 = envs.g_stride_i; + let dk: i32 = envs.g_stride_k; + let dl: i32 = envs.g_stride_l; + let dj: i32 = envs.g_stride_j; let mut i: i32 = 0; let mut j: i32 = 0; let mut k: i32 = 0; @@ -448,8 +448,8 @@ pub unsafe extern "C" fn CINTg2e_index_xyz( CINTcart_comp(k_nx.as_mut_ptr(), k_ny.as_mut_ptr(), k_nz.as_mut_ptr(), k_l); CINTcart_comp(l_nx.as_mut_ptr(), l_ny.as_mut_ptr(), l_nz.as_mut_ptr(), l_l); ofx = 0 as i32; - ofy = (*envs).g_size; - ofz = (*envs).g_size * 2 as i32; + ofy = envs.g_size; + ofz = envs.g_size * 2 as i32; n = 0 as i32; j = 0 as i32; while j < nfj { diff --git a/src/optimizer.rs b/src/optimizer.rs index 014ba8e..782b7e5 100644 --- a/src/optimizer.rs +++ b/src/optimizer.rs @@ -180,7 +180,7 @@ unsafe extern "C" fn _allocate_index_xyz( unsafe extern "C" fn gen_idx( mut opt: *mut CINTOpt, mut finit: Option:: ()>, - mut findex_xyz: Option:: ()>, + mut findex_xyz: Option:: ()>, mut order: i32, mut l_allow: i32, ng: &[i32;8], @@ -392,12 +392,12 @@ pub unsafe extern "C" fn CINTall_1e_optimizer( ), ), ::core::mem::transmute::< - Option:: ()>, - Option:: ()>, + Option:: ()>, + Option:: ()>, >( Some( CINTg1e_index_xyz - as unsafe extern "C" fn(*mut i32, *const CINTEnvVars) -> (), + as unsafe fn(*mut i32, &CINTEnvVars) -> (), ), ), 2 as i32, @@ -455,12 +455,12 @@ pub unsafe extern "C" fn CINTall_2e_optimizer( ), ), ::core::mem::transmute::< - Option:: ()>, - Option:: ()>, + Option:: ()>, + Option:: ()>, >( Some( CINTg2e_index_xyz - as unsafe extern "C" fn(*mut i32, *const CINTEnvVars) -> (), + as unsafe fn(*mut i32, &CINTEnvVars) -> (), ), ), 4 as i32, From b1b6245d98d5259f7896db86b138d0593ca4f459 Mon Sep 17 00:00:00 2001 From: Manuel Drehwald Date: Fri, 20 Mar 2026 18:15:20 -0400 Subject: [PATCH 15/37] const --- src/optimizer.rs | 18 +++++++++--------- 1 file changed, 9 insertions(+), 9 deletions(-) diff --git a/src/optimizer.rs b/src/optimizer.rs index 782b7e5..d83a4ea 100644 --- a/src/optimizer.rs +++ b/src/optimizer.rs @@ -817,15 +817,15 @@ pub unsafe fn CINTset_pairdata( aj: *const f64, ri: *const f64, rj: *const f64, - mut log_maxci: *mut f64, - mut log_maxcj: *mut f64, - mut li_ceil: i32, - mut lj_ceil: i32, - mut iprim: i32, - mut jprim: i32, - mut rr_ij: f64, - mut expcutoff: f64, - mut env: *const f64, + log_maxci: *mut f64, + log_maxcj: *mut f64, + li_ceil: i32, + lj_ceil: i32, + iprim: i32, + jprim: i32, + rr_ij: f64, + expcutoff: f64, + env: *const f64, ) -> i32 { let mut ip: i32 = 0; let mut jp: i32 = 0; From d250f78330f2e8974259ff65029cc33f3ecfc1a0 Mon Sep 17 00:00:00 2001 From: Manuel Drehwald Date: Fri, 20 Mar 2026 18:26:27 -0400 Subject: [PATCH 16/37] const --- src/cint1e.rs | 3 +-- src/fblas.rs | 8 ++++---- 2 files changed, 5 insertions(+), 6 deletions(-) diff --git a/src/cint1e.rs b/src/cint1e.rs index 373cdcf..4cce565 100644 --- a/src/cint1e.rs +++ b/src/cint1e.rs @@ -117,7 +117,6 @@ pub unsafe fn CINT1e_loop( let mut jempty: *mut i32 = empty .as_mut_ptr() .offset(2 as isize); - let mut rij: *mut f64 = 0 as *mut f64; let mut idx: *mut i32 = 0 as *mut i32; idx = ((cache as uintptr_t).wrapping_add(7 as u64) & (8 as uintptr_t).wrapping_neg()) as *mut libc::c_void @@ -190,7 +189,7 @@ pub unsafe fn CINT1e_loop( if !((*pdata_ij).cceij > expcutoff) { (*envs).ai[0 as usize] = *ai.offset(ip as isize); expij = (*pdata_ij).eij; - rij = ((*pdata_ij).rij).as_mut_ptr(); + let rij = ((*pdata_ij).rij).as_ptr(); (*envs) .rij[0 as i32 as usize] = *rij.offset(0 as isize); diff --git a/src/fblas.rs b/src/fblas.rs index 4274d63..362ab9a 100644 --- a/src/fblas.rs +++ b/src/fblas.rs @@ -27,10 +27,10 @@ pub unsafe extern "C" fn CINTdaxpy2v( } #[no_mangle] pub unsafe extern "C" fn CINTdmat_transpose( - mut a_t: *mut f64, - mut a: *mut f64, - mut m: i32, - mut n: i32, + a_t: *mut f64, + a: *const f64, + m: i32, + n: i32, ) { let mut i: i32 = 0; let mut j: i32 = 0; From 12e1f7fc5867339e8f1cc7f9ef96516947e4a021 Mon Sep 17 00:00:00 2001 From: Manuel Drehwald Date: Fri, 20 Mar 2026 19:51:11 -0400 Subject: [PATCH 17/37] huge, change f_gout to not be unsafe extern anymore --- src/cint.rs | 4 ++-- src/cint1e.rs | 54 +++++++++++++++++++++++++++------------------------ src/cint2e.rs | 25 ++++++++++++------------ src/fblas.rs | 1 + src/g1e.rs | 4 +++- src/intor1.rs | 41 +++++++++++++++++++------------------- 6 files changed, 69 insertions(+), 60 deletions(-) diff --git a/src/cint.rs b/src/cint.rs index 93ae4b0..f55d80f 100644 --- a/src/cint.rs +++ b/src/cint.rs @@ -67,7 +67,7 @@ pub struct CINTEnvVars { pub c2rust_unnamed_1: C2RustUnnamed, pub f_g0_2e: Option:: i32>, pub f_g0_2d4d: Option:: ()>, - pub f_gout: Option:: ()>, + pub f_gout: Option:: ()>, pub opt: *mut CINTOpt, pub idx: *mut i32, pub ai: [f64; 1], @@ -163,4 +163,4 @@ impl CINTEnvVars { }; envs } -} \ No newline at end of file +} diff --git a/src/cint1e.rs b/src/cint1e.rs index 4cce565..f3cbdc9 100644 --- a/src/cint1e.rs +++ b/src/cint1e.rs @@ -499,14 +499,15 @@ unsafe extern "C" fn make_g1e_gout( }; } #[no_mangle] -pub unsafe extern "C" fn CINTgout1e( +#[inline(never)] +pub unsafe fn CINTgout1e( mut gout: *mut f64, mut g: *mut f64, mut idx: *mut i32, - mut envs: *mut CINTEnvVars, + envs: &CINTEnvVars, mut empty: i32, ) { - let mut nf: i32 = (*envs).nf; + let nf: i32 = envs.nf; let mut n: i32 = 0; let mut ix: i32 = 0; let mut iy: i32 = 0; @@ -540,11 +541,12 @@ pub unsafe extern "C" fn CINTgout1e( }; } #[no_mangle] -pub unsafe extern "C" fn CINTgout1e_nuc( +pub unsafe fn CINTgout1e_nuc( +//pub unsafe extern "C" fn CINTgout1e_nuc( mut gout: *mut f64, mut g: *mut f64, mut idx: *mut i32, - mut envs: *mut CINTEnvVars, + envs: &CINTEnvVars, mut empty: i32, ) { let mut nf: i32 = (*envs).nf; @@ -647,23 +649,25 @@ pub unsafe extern "C" fn int1e_ovlp_sph( envs .f_gout = ::core::mem::transmute::< Option::< - unsafe extern "C" fn( + unsafe fn( *mut f64, *mut f64, *mut i32, - *mut CINTEnvVars, + &CINTEnvVars, + //*mut CINTEnvVars, i32, ) -> (), >, - Option:: ()>, + Option:: ()>, + //Option:: ()>, >( Some( CINTgout1e - as unsafe extern "C" fn( + as unsafe fn( *mut f64, *mut f64, *mut i32, - *mut CINTEnvVars, + &CINTEnvVars, i32, ) -> (), ), @@ -727,23 +731,23 @@ pub unsafe extern "C" fn int1e_ovlp_cart( envs .f_gout = ::core::mem::transmute::< Option::< - unsafe extern "C" fn( + unsafe fn( *mut f64, *mut f64, *mut i32, - *mut CINTEnvVars, + &CINTEnvVars, i32, ) -> (), >, - Option:: ()>, + Option:: ()>, >( Some( CINTgout1e - as unsafe extern "C" fn( + as unsafe fn( *mut f64, *mut f64, *mut i32, - *mut CINTEnvVars, + &CINTEnvVars, i32, ) -> (), ), @@ -818,23 +822,23 @@ pub unsafe extern "C" fn int1e_nuc_sph( envs .f_gout = ::core::mem::transmute::< Option::< - unsafe extern "C" fn( + unsafe fn( *mut f64, *mut f64, *mut i32, - *mut CINTEnvVars, + &CINTEnvVars, i32, ) -> (), >, - Option:: ()>, + Option:: ()>, >( Some( CINTgout1e_nuc - as unsafe extern "C" fn( + as unsafe fn( *mut f64, *mut f64, *mut i32, - *mut CINTEnvVars, + &CINTEnvVars, i32, ) -> (), ), @@ -898,23 +902,23 @@ pub unsafe extern "C" fn int1e_nuc_cart( envs .f_gout = ::core::mem::transmute::< Option::< - unsafe extern "C" fn( + unsafe fn( *mut f64, *mut f64, *mut i32, - *mut CINTEnvVars, + &CINTEnvVars, i32, ) -> (), >, - Option:: ()>, + Option:: ()>, >( Some( CINTgout1e_nuc - as unsafe extern "C" fn( + as unsafe fn( *mut f64, *mut f64, *mut i32, - *mut CINTEnvVars, + &CINTEnvVars, i32, ) -> (), ), diff --git a/src/cint2e.rs b/src/cint2e.rs index 3c33a6c..2ff3146 100644 --- a/src/cint2e.rs +++ b/src/cint2e.rs @@ -3290,11 +3290,12 @@ pub unsafe extern "C" fn CINT2e_drv( return (empty == 0) as i32; } #[no_mangle] -pub unsafe extern "C" fn CINTgout2e( +//pub unsafe extern "C" fn CINTgout2e( +pub unsafe fn CINTgout2e( mut gout: *mut f64, mut g: *mut f64, mut idx: *mut i32, - mut envs: *mut CINTEnvVars, + envs: &CINTEnvVars, mut gout_empty: i32, ) { let mut nf: i32 = (*envs).nf; @@ -3792,23 +3793,23 @@ pub unsafe extern "C" fn int2e_sph( envs .f_gout = ::core::mem::transmute::< Option::< - unsafe extern "C" fn( + unsafe fn( *mut f64, *mut f64, *mut i32, - *mut CINTEnvVars, + &CINTEnvVars, i32, ) -> (), >, - Option:: ()>, + Option:: ()>, >( Some( CINTgout2e - as unsafe extern "C" fn( + as unsafe fn( *mut f64, *mut f64, *mut i32, - *mut CINTEnvVars, + &CINTEnvVars, i32, ) -> (), ), @@ -3893,23 +3894,23 @@ pub unsafe extern "C" fn int2e_cart( envs .f_gout = ::core::mem::transmute::< Option::< - unsafe extern "C" fn( + unsafe fn( *mut f64, *mut f64, *mut i32, - *mut CINTEnvVars, + &CINTEnvVars, i32, ) -> (), >, - Option:: ()>, + Option:: ()>, >( Some( CINTgout2e - as unsafe extern "C" fn( + as unsafe fn( *mut f64, *mut f64, *mut i32, - *mut CINTEnvVars, + &CINTEnvVars, i32, ) -> (), ), diff --git a/src/fblas.rs b/src/fblas.rs index 362ab9a..6a65bb1 100644 --- a/src/fblas.rs +++ b/src/fblas.rs @@ -26,6 +26,7 @@ pub unsafe extern "C" fn CINTdaxpy2v( } } #[no_mangle] +#[inline(never)] pub unsafe extern "C" fn CINTdmat_transpose( a_t: *mut f64, a: *const f64, diff --git a/src/g1e.rs b/src/g1e.rs index f31c5ce..cf5528c 100644 --- a/src/g1e.rs +++ b/src/g1e.rs @@ -613,7 +613,7 @@ pub unsafe extern "C" fn CINTnabla1j_1e( mut li: i32, mut lj: i32, mut lk: i32, - mut envs: *mut CINTEnvVars, + envs: &CINTEnvVars, ) { let dj: i32 = (*envs).g_stride_j; let dk: i32 = (*envs).g_stride_k; @@ -948,6 +948,7 @@ pub unsafe extern "C" fn CINTprim_to_ctr( } } #[no_mangle] +#[inline(never)] pub unsafe extern "C" fn CINTprim_to_ctr_0( mut gc: *mut f64, mut gp: *mut f64, @@ -978,6 +979,7 @@ pub unsafe extern "C" fn CINTprim_to_ctr_0( } } #[no_mangle] +#[inline(never)] pub unsafe extern "C" fn CINTprim_to_ctr_1( mut gc: *mut f64, mut gp: *mut f64, diff --git a/src/intor1.rs b/src/intor1.rs index d6fcda1..7533406 100644 --- a/src/intor1.rs +++ b/src/intor1.rs @@ -11,11 +11,12 @@ use crate::cint::CINTOpt; use crate::cint::CINTEnvVars; #[no_mangle] -pub unsafe extern "C" fn CINTgout1e_int1e_kin( +pub unsafe fn CINTgout1e_int1e_kin( +//pub unsafe extern "C" fn CINTgout1e_int1e_kin( mut gout: *mut f64, mut g: *mut f64, mut idx: *mut i32, - mut envs: *mut CINTEnvVars, + envs: &CINTEnvVars, mut gout_empty: i32, ) { let mut nf: i32 = (*envs).nf; @@ -37,7 +38,7 @@ pub unsafe extern "C" fn CINTgout1e_int1e_kin( (*envs).i_l + 0 as i32, (*envs).j_l + 0 as i32, 0 as i32, - envs, + &*envs, ); CINTnabla1j_1e( g2, @@ -45,7 +46,7 @@ pub unsafe extern "C" fn CINTgout1e_int1e_kin( (*envs).i_l + 0 as i32, (*envs).j_l + 1 as i32, 0 as i32, - envs, + &*envs, ); CINTnabla1j_1e( g3, @@ -53,7 +54,7 @@ pub unsafe extern "C" fn CINTgout1e_int1e_kin( (*envs).i_l + 0 as i32, (*envs).j_l + 0 as i32, 0 as i32, - envs, + &*envs, ); n = 0 as i32; while n < nf { @@ -160,23 +161,23 @@ pub unsafe extern "C" fn int1e_kin_cart( envs .f_gout = ::core::mem::transmute::< Option::< - unsafe extern "C" fn( + unsafe fn( *mut f64, *mut f64, *mut i32, - *mut CINTEnvVars, + &CINTEnvVars, i32, ) -> (), >, - Option:: ()>, + Option:: ()>, >( Some( CINTgout1e_int1e_kin - as unsafe extern "C" fn( + as unsafe fn( *mut f64, *mut f64, *mut i32, - *mut CINTEnvVars, + &CINTEnvVars, i32, ) -> (), ), @@ -241,23 +242,23 @@ pub unsafe extern "C" fn int1e_kin_sph( envs .f_gout = ::core::mem::transmute::< Option::< - unsafe extern "C" fn( + unsafe fn( *mut f64, *mut f64, *mut i32, - *mut CINTEnvVars, + &CINTEnvVars, i32, ) -> (), >, - Option:: ()>, + Option:: ()>, >( Some( CINTgout1e_int1e_kin - as unsafe extern "C" fn( + as unsafe fn( *mut f64, *mut f64, *mut i32, - *mut CINTEnvVars, + &CINTEnvVars, i32, ) -> (), ), @@ -322,23 +323,23 @@ pub unsafe extern "C" fn int1e_kin_spinor( envs .f_gout = ::core::mem::transmute::< Option::< - unsafe extern "C" fn( + unsafe fn( *mut f64, *mut f64, *mut i32, - *mut CINTEnvVars, + &CINTEnvVars, i32, ) -> (), >, - Option:: ()>, + Option:: ()>, >( Some( CINTgout1e_int1e_kin - as unsafe extern "C" fn( + as unsafe fn( *mut f64, *mut f64, *mut i32, - *mut CINTEnvVars, + &CINTEnvVars, i32, ) -> (), ), From 04851560dde30e37d7372de1b72e6b25d194aa77 Mon Sep 17 00:00:00 2001 From: Manuel Drehwald Date: Fri, 20 Mar 2026 20:00:38 -0400 Subject: [PATCH 18/37] const --- src/cint1e.rs | 21 +++++++++++---------- src/cint_bas.rs | 1 + 2 files changed, 12 insertions(+), 10 deletions(-) diff --git a/src/cint1e.rs b/src/cint1e.rs index f3cbdc9..622cac2 100644 --- a/src/cint1e.rs +++ b/src/cint1e.rs @@ -876,18 +876,18 @@ pub unsafe extern "C" fn int1e_nuc_sph( } #[no_mangle] pub unsafe extern "C" fn int1e_nuc_cart( - mut out: *mut f64, - mut dims: *mut i32, - mut shls: *mut i32, - mut atm: *mut i32, - mut natm: i32, - mut bas: *mut i32, - mut nbas: i32, - mut env: *mut f64, - mut _opt: *mut CINTOpt, + out: *mut f64, + dims: *mut i32, + shls: *mut i32, + atm: *mut i32, + natm: i32, + bas: *mut i32, + nbas: i32, + env: *mut f64, + _opt: *mut CINTOpt, mut cache: *mut f64, ) -> i32 { - let mut ng: [i32; 8] = [ + let ng: [i32; 8] = [ 0 as i32, 0 as i32, 0 as i32, @@ -1277,6 +1277,7 @@ pub unsafe extern "C" fn cint1e_nuc_optimizer_( #[no_mangle] +#[inline(never)] pub fn cint1e_ovlp_cart( out: &mut [f64], shls: &mut [i32], diff --git a/src/cint_bas.rs b/src/cint_bas.rs index 254cd31..220e18e 100644 --- a/src/cint_bas.rs +++ b/src/cint_bas.rs @@ -48,6 +48,7 @@ pub unsafe extern "C" fn CINTcgtos_cart( // } #[no_mangle] +#[inline(never)] pub fn CINTcgto_cart( bas_id: usize, bas: &[i32], From cab0052e19df2743853bd8e34fb19b3d9f20c848 Mon Sep 17 00:00:00 2001 From: Manuel Drehwald Date: Fri, 20 Mar 2026 20:27:46 -0400 Subject: [PATCH 19/37] const --- src/g1e.rs | 20 ++++++++++---------- 1 file changed, 10 insertions(+), 10 deletions(-) diff --git a/src/g1e.rs b/src/g1e.rs index cf5528c..2cd326b 100644 --- a/src/g1e.rs +++ b/src/g1e.rs @@ -190,7 +190,7 @@ pub unsafe fn CINTg1e_index_xyz( #[no_mangle] pub unsafe extern "C" fn CINTg1e_ovlp( mut g: *mut f64, - mut envs: *mut CINTEnvVars, + envs: *const CINTEnvVars, ) -> i32 { let mut gx: *mut f64 = g; let mut gy: *mut f64 = g.offset((*envs).g_size as isize); @@ -210,8 +210,8 @@ pub unsafe extern "C" fn CINTg1e_ovlp( if nmax == 0 as i32 { return 1 as i32; } - let mut rij: *mut f64 = ((*envs).rij).as_mut_ptr(); - let rirj: *mut f64 = ((*envs).rirj).as_mut_ptr(); + let rij: *const f64 = ((*envs).rij).as_ptr(); + let rirj: *const f64 = ((*envs).rirj).as_ptr(); let mut lj: i32 = 0; let mut di: i32 = 0; let mut dj: i32 = 0; @@ -340,13 +340,13 @@ pub unsafe extern "C" fn CINTnuc_mod( #[no_mangle] pub unsafe extern "C" fn CINTg1e_nuc( mut g: *mut f64, - mut envs: *mut CINTEnvVars, + envs: *const CINTEnvVars, mut nuc_id: i32, ) -> i32 { let mut nrys_roots: i32 = (*envs).nrys_roots; let mut atm: *mut i32 = (*envs).atm; let mut env: *mut f64 = (*envs).env; - let mut rij: *mut f64 = ((*envs).rij).as_mut_ptr(); + let mut rij: *const f64 = ((*envs).rij).as_ptr(); let mut gx: *mut f64 = g; let mut gy: *mut f64 = g.offset((*envs).g_size as isize); let mut gz: *mut f64 = g @@ -541,7 +541,7 @@ pub unsafe extern "C" fn CINTnabla1i_1e( mut li: i32, mut lj: i32, mut lk: i32, - mut envs: *mut CINTEnvVars, + envs: *const CINTEnvVars, ) { let dj: i32 = (*envs).g_stride_j; let dk: i32 = (*envs).g_stride_k; @@ -679,7 +679,7 @@ pub unsafe extern "C" fn CINTnabla1k_1e( mut li: i32, mut lj: i32, mut lk: i32, - mut envs: *mut CINTEnvVars, + envs: *const CINTEnvVars, ) { let dj: i32 = (*envs).g_stride_j; let dk: i32 = (*envs).g_stride_k; @@ -751,7 +751,7 @@ pub unsafe extern "C" fn CINTx1i_1e( mut li: i32, mut lj: i32, mut lk: i32, - mut envs: *mut CINTEnvVars, + envs: *const CINTEnvVars, ) { let mut i: i32 = 0; let mut j: i32 = 0; @@ -807,7 +807,7 @@ pub unsafe extern "C" fn CINTx1j_1e( mut li: i32, mut lj: i32, mut lk: i32, - mut envs: *mut CINTEnvVars, + envs: *const CINTEnvVars, ) { let mut i: i32 = 0; let mut j: i32 = 0; @@ -863,7 +863,7 @@ pub unsafe extern "C" fn CINTx1k_1e( mut li: i32, mut lj: i32, mut lk: i32, - mut envs: *mut CINTEnvVars, + mut envs: *const CINTEnvVars, ) { let mut i: i32 = 0; let mut j: i32 = 0; From 95728216aa069d62c7706564800e92d64fe83184 Mon Sep 17 00:00:00 2001 From: Manuel Drehwald Date: Fri, 20 Mar 2026 20:36:31 -0400 Subject: [PATCH 20/37] const --- src/cint1e.rs | 8 ++++---- src/g1e.rs | 28 ++++++++++++++-------------- 2 files changed, 18 insertions(+), 18 deletions(-) diff --git a/src/cint1e.rs b/src/cint1e.rs index 622cac2..161673d 100644 --- a/src/cint1e.rs +++ b/src/cint1e.rs @@ -448,14 +448,14 @@ unsafe extern "C" fn make_g1e_gout( mut gout: *mut f64, mut g: *mut f64, mut idx: *mut i32, - mut envs: *mut CINTEnvVars, + envs: *const CINTEnvVars, mut empty: i32, int1e_type: i32, ) { let mut ia: i32 = 0; match int1e_type { 0 => { - CINTg1e_ovlp(g, envs); + CINTg1e_ovlp(g, &*envs); ::core::mem::transmute::< _, fn(_, _, _, _, _), @@ -465,7 +465,7 @@ unsafe extern "C" fn make_g1e_gout( )(gout, g, idx, envs, empty); } 1 => { - CINTg1e_nuc(g, envs, -(1 as i32)); + CINTg1e_nuc(g, &*envs, -(1 as i32)); ::core::mem::transmute::< _, fn(_, _, _, _, _), @@ -477,7 +477,7 @@ unsafe extern "C" fn make_g1e_gout( 2 => { ia = 0 as i32; while ia < (*envs).natm { - CINTg1e_nuc(g, envs, ia); + CINTg1e_nuc(g, &*envs, ia); ::core::mem::transmute::< _, fn(_, _, _, _, _), diff --git a/src/g1e.rs b/src/g1e.rs index 2cd326b..a95786e 100644 --- a/src/g1e.rs +++ b/src/g1e.rs @@ -188,9 +188,9 @@ pub unsafe fn CINTg1e_index_xyz( } } #[no_mangle] -pub unsafe extern "C" fn CINTg1e_ovlp( +pub unsafe fn CINTg1e_ovlp( mut g: *mut f64, - envs: *const CINTEnvVars, + envs: &CINTEnvVars, ) -> i32 { let mut gx: *mut f64 = g; let mut gy: *mut f64 = g.offset((*envs).g_size as isize); @@ -338,9 +338,9 @@ pub unsafe extern "C" fn CINTnuc_mod( }; } #[no_mangle] -pub unsafe extern "C" fn CINTg1e_nuc( +pub unsafe fn CINTg1e_nuc( mut g: *mut f64, - envs: *const CINTEnvVars, + envs: &CINTEnvVars, mut nuc_id: i32, ) -> i32 { let mut nrys_roots: i32 = (*envs).nrys_roots; @@ -535,13 +535,13 @@ pub unsafe extern "C" fn CINTg1e_nuc( return 1 as i32; } #[no_mangle] -pub unsafe extern "C" fn CINTnabla1i_1e( +pub unsafe fn CINTnabla1i_1e( mut f: *mut f64, mut g: *mut f64, mut li: i32, mut lj: i32, mut lk: i32, - envs: *const CINTEnvVars, + envs: &CINTEnvVars, ) { let dj: i32 = (*envs).g_stride_j; let dk: i32 = (*envs).g_stride_k; @@ -673,13 +673,13 @@ pub unsafe extern "C" fn CINTnabla1j_1e( } } #[no_mangle] -pub unsafe extern "C" fn CINTnabla1k_1e( +pub unsafe fn CINTnabla1k_1e( mut f: *mut f64, mut g: *mut f64, mut li: i32, mut lj: i32, mut lk: i32, - envs: *const CINTEnvVars, + envs: &CINTEnvVars, ) { let dj: i32 = (*envs).g_stride_j; let dk: i32 = (*envs).g_stride_k; @@ -744,14 +744,14 @@ pub unsafe extern "C" fn CINTnabla1k_1e( } } #[no_mangle] -pub unsafe extern "C" fn CINTx1i_1e( +pub unsafe fn CINTx1i_1e( mut f: *mut f64, mut g: *mut f64, mut ri: *mut f64, mut li: i32, mut lj: i32, mut lk: i32, - envs: *const CINTEnvVars, + envs: &CINTEnvVars, ) { let mut i: i32 = 0; let mut j: i32 = 0; @@ -800,14 +800,14 @@ pub unsafe extern "C" fn CINTx1i_1e( } } #[no_mangle] -pub unsafe extern "C" fn CINTx1j_1e( +pub unsafe fn CINTx1j_1e( mut f: *mut f64, mut g: *mut f64, mut rj: *mut f64, mut li: i32, mut lj: i32, mut lk: i32, - envs: *const CINTEnvVars, + envs: &CINTEnvVars, ) { let mut i: i32 = 0; let mut j: i32 = 0; @@ -856,14 +856,14 @@ pub unsafe extern "C" fn CINTx1j_1e( } } #[no_mangle] -pub unsafe extern "C" fn CINTx1k_1e( +pub unsafe fn CINTx1k_1e( mut f: *mut f64, mut g: *mut f64, mut rk: *mut f64, mut li: i32, mut lj: i32, mut lk: i32, - mut envs: *const CINTEnvVars, + envs: &CINTEnvVars, ) { let mut i: i32 = 0; let mut j: i32 = 0; From 5bb2b46ea3d0ba39014905e5dce776554fda5f3e Mon Sep 17 00:00:00 2001 From: Manuel Drehwald Date: Fri, 20 Mar 2026 20:44:59 -0400 Subject: [PATCH 21/37] slightly iffy, removing a lot of mut from --- src/cint1e.rs | 147 +++++++++++++++++++++++++------------------------- 1 file changed, 73 insertions(+), 74 deletions(-) diff --git a/src/cint1e.rs b/src/cint1e.rs index 161673d..088ba18 100644 --- a/src/cint1e.rs +++ b/src/cint1e.rs @@ -205,7 +205,7 @@ pub unsafe fn CINT1e_loop( fac1i = fac1j * expij; } (*envs).fac[0 as usize] = fac1i; - make_g1e_gout(gout, g, idx, envs, *gempty, int1e_type); + make_g1e_gout(gout, g, idx, &*envs, *gempty, int1e_type); if i_ctr > 1 as i32 { if *iempty != 0 { CINTprim_to_ctr_0( @@ -275,7 +275,7 @@ pub unsafe fn CINT1e_loop( return (*jempty == 0) as i32; } #[no_mangle] -pub unsafe extern "C" fn int1e_cache_size(mut envs: *mut CINTEnvVars) -> i32 { +pub unsafe extern "C" fn int1e_cache_size(envs: *mut CINTEnvVars) -> i32 { let mut shls: *mut i32 = (*envs).shls; let mut bas: *mut i32 = (*envs).bas; let mut i_prim: i32 = *bas @@ -313,12 +313,12 @@ pub unsafe extern "C" fn int1e_cache_size(mut envs: *mut CINTEnvVars) -> i32 { } #[no_mangle] pub unsafe extern "C" fn CINT1e_drv( - mut out: *mut f64, + out: *mut f64, mut dims: *mut i32, - mut envs: *mut CINTEnvVars, + envs: *mut CINTEnvVars, mut cache: *mut f64, - mut f_c2s: Option:: ()>, - mut int1e_type: i32, + f_c2s: Option:: ()>, + int1e_type: i32, ) -> i32 { if out.is_null() { return int1e_cache_size(envs); @@ -445,11 +445,11 @@ pub unsafe extern "C" fn CINT1e_drv( return has_value; } unsafe extern "C" fn make_g1e_gout( - mut gout: *mut f64, - mut g: *mut f64, - mut idx: *mut i32, - envs: *const CINTEnvVars, - mut empty: i32, + gout: *mut f64, + g: *mut f64, + idx: *mut i32, + envs: &CINTEnvVars, + empty: i32, int1e_type: i32, ) { let mut ia: i32 = 0; @@ -501,11 +501,11 @@ unsafe extern "C" fn make_g1e_gout( #[no_mangle] #[inline(never)] pub unsafe fn CINTgout1e( - mut gout: *mut f64, - mut g: *mut f64, - mut idx: *mut i32, + gout: *mut f64, + g: *mut f64, + idx: *mut i32, envs: &CINTEnvVars, - mut empty: i32, + empty: i32, ) { let nf: i32 = envs.nf; let mut n: i32 = 0; @@ -542,12 +542,11 @@ pub unsafe fn CINTgout1e( } #[no_mangle] pub unsafe fn CINTgout1e_nuc( -//pub unsafe extern "C" fn CINTgout1e_nuc( - mut gout: *mut f64, - mut g: *mut f64, - mut idx: *mut i32, + gout: *mut f64, + g: *mut f64, + idx: *mut i32, envs: &CINTEnvVars, - mut empty: i32, + empty: i32, ) { let mut nf: i32 = (*envs).nf; let mut nrys_roots: i32 = (*envs).nrys_roots; @@ -623,16 +622,16 @@ pub unsafe fn CINTgout1e_nuc( } #[no_mangle] pub unsafe extern "C" fn int1e_ovlp_sph( - mut out: *mut f64, - mut dims: *mut i32, - mut shls: *mut i32, - mut atm: *mut i32, - mut natm: i32, - mut bas: *mut i32, - mut nbas: i32, - mut env: *mut f64, + out: *mut f64, + dims: *mut i32, + shls: *mut i32, + atm: *mut i32, + natm: i32, + bas: *mut i32, + nbas: i32, + env: *mut f64, _opt: *mut CINTOpt, - mut cache: *mut f64, + cache: *mut f64, ) -> i32 { let ng: [i32; 8] = [ 0 as i32, @@ -705,16 +704,16 @@ pub unsafe extern "C" fn int1e_ovlp_sph( } #[no_mangle] pub unsafe extern "C" fn int1e_ovlp_cart( - mut out: *mut f64, - mut dims: *mut i32, - mut shls: *mut i32, - mut atm: *mut i32, - mut natm: i32, - mut bas: *mut i32, - mut nbas: i32, - mut env: *mut f64, - mut _opt: *mut CINTOpt, - mut cache: *mut f64, + out: *mut f64, + dims: *mut i32, + shls: *mut i32, + atm: *mut i32, + natm: i32, + bas: *mut i32, + nbas: i32, + env: *mut f64, + _opt: *mut CINTOpt, + cache: *mut f64, ) -> i32 { let ng: [i32; 8] = [ 0 as i32, @@ -785,7 +784,7 @@ pub unsafe extern "C" fn int1e_ovlp_cart( } #[no_mangle] pub unsafe extern "C" fn int1e_ovlp_optimizer( - mut opt: *mut *mut CINTOpt, + opt: *mut *mut CINTOpt, _atm: *mut i32, _natm: i32, _bas: *mut i32, @@ -1084,36 +1083,36 @@ pub unsafe extern "C" fn cint1e_nuc_cart_optimizer( // } #[no_mangle] pub unsafe extern "C" fn cint1e_nuc_sph_optimizer( - mut opt: *mut *mut CINTOpt, - mut atm: *mut i32, - mut natm: i32, - mut bas: *mut i32, - mut nbas: i32, - mut env: *mut f64, + opt: *mut *mut CINTOpt, + atm: *mut i32, + natm: i32, + bas: *mut i32, + nbas: i32, + env: *mut f64, ) { int1e_nuc_optimizer(opt, atm, natm, bas, nbas, env); } #[no_mangle] pub unsafe extern "C" fn cint1e_nuc_optimizer( - mut opt: *mut *mut CINTOpt, - mut atm: *mut i32, - mut natm: i32, - mut bas: *mut i32, - mut nbas: i32, - mut env: *mut f64, + opt: *mut *mut CINTOpt, + atm: *mut i32, + natm: i32, + bas: *mut i32, + nbas: i32, + env: *mut f64, ) { int1e_nuc_optimizer(opt, atm, natm, bas, nbas, env); } #[no_mangle] pub unsafe extern "C" fn cint1e_ovlp_sph_( - mut out: *mut f64, - mut shls: *mut i32, - mut atm: *mut i32, - mut natm: *mut i32, - mut bas: *mut i32, - mut nbas: *mut i32, - mut env: *mut f64, - mut optptr_as_integer8: u64, + out: *mut f64, + shls: *mut i32, + atm: *mut i32, + natm: *mut i32, + bas: *mut i32, + nbas: *mut i32, + env: *mut f64, + optptr_as_integer8: u64, ) -> i32 { let mut opt: *mut *mut CINTOpt = optptr_as_integer8 as *mut *mut CINTOpt; return int1e_ovlp_sph( @@ -1131,26 +1130,26 @@ pub unsafe extern "C" fn cint1e_ovlp_sph_( } #[no_mangle] pub unsafe extern "C" fn cint1e_ovlp_sph_optimizer_( - mut optptr_as_integer8: u64, - mut atm: *mut i32, - mut natm: *mut i32, - mut bas: *mut i32, - mut nbas: *mut i32, - mut env: *mut f64, + optptr_as_integer8: u64, + atm: *mut i32, + natm: *mut i32, + bas: *mut i32, + nbas: *mut i32, + env: *mut f64, ) { let mut opt: *mut *mut CINTOpt = optptr_as_integer8 as *mut *mut CINTOpt; int1e_ovlp_optimizer(opt, atm, *natm, bas, *nbas, env); } #[no_mangle] pub unsafe extern "C" fn cint1e_ovlp_cart_( - mut out: *mut f64, - mut shls: *mut i32, - mut atm: *mut i32, - mut natm: *mut i32, - mut bas: *mut i32, - mut nbas: *mut i32, - mut env: *mut f64, - mut optptr_as_integer8: u64, + out: *mut f64, + shls: *mut i32, + atm: *mut i32, + natm: *mut i32, + bas: *mut i32, + nbas: *mut i32, + env: *mut f64, + optptr_as_integer8: u64, ) -> i32 { let mut opt: *mut *mut CINTOpt = optptr_as_integer8 as *mut *mut CINTOpt; return int1e_ovlp_cart( From b8b5f20eb7e7f2404d2e4b3eea187e5da3f9a6eb Mon Sep 17 00:00:00 2001 From: Manuel Drehwald Date: Fri, 20 Mar 2026 20:53:50 -0400 Subject: [PATCH 22/37] const --- src/cint.rs | 8 ++++---- src/cint1e.rs | 2 +- 2 files changed, 5 insertions(+), 5 deletions(-) diff --git a/src/cint.rs b/src/cint.rs index f55d80f..5376f62 100644 --- a/src/cint.rs +++ b/src/cint.rs @@ -70,12 +70,12 @@ pub struct CINTEnvVars { pub f_gout: Option:: ()>, pub opt: *mut CINTOpt, pub idx: *mut i32, - pub ai: [f64; 1], - pub aj: [f64; 1], + pub ai: [f64; 1], // mut + pub aj: [f64; 1], // mut pub ak: [f64; 1], pub al: [f64; 1], - pub fac: [f64; 1], - pub rij: [f64; 3], + pub fac: [f64; 1], // mut + pub rij: [f64; 3], // mut pub rkl: [f64; 3], } diff --git a/src/cint1e.rs b/src/cint1e.rs index 088ba18..c6cbfd6 100644 --- a/src/cint1e.rs +++ b/src/cint1e.rs @@ -312,7 +312,7 @@ pub unsafe extern "C" fn int1e_cache_size(envs: *mut CINTEnvVars) -> i32 { return cache_size; } #[no_mangle] -pub unsafe extern "C" fn CINT1e_drv( +pub unsafe fn CINT1e_drv( out: *mut f64, mut dims: *mut i32, envs: *mut CINTEnvVars, From e292cf39d5e59732119a15707535616cd6484aba Mon Sep 17 00:00:00 2001 From: Manuel Drehwald Date: Fri, 20 Mar 2026 21:09:01 -0400 Subject: [PATCH 23/37] Make int1e_cache_size accepta &envs instead of *mut --- src/cint.rs | 4 ++-- src/cint1e.rs | 34 +++++++++++++++++----------------- 2 files changed, 19 insertions(+), 19 deletions(-) diff --git a/src/cint.rs b/src/cint.rs index 5376f62..b3a5a5c 100644 --- a/src/cint.rs +++ b/src/cint.rs @@ -69,7 +69,7 @@ pub struct CINTEnvVars { pub f_g0_2d4d: Option:: ()>, pub f_gout: Option:: ()>, pub opt: *mut CINTOpt, - pub idx: *mut i32, + //pub idx: *const i32, pub ai: [f64; 1], // mut pub aj: [f64; 1], // mut pub ak: [f64; 1], @@ -152,7 +152,7 @@ impl CINTEnvVars { f_g0_2d4d: None, f_gout: None, opt: 0 as *mut CINTOpt, - idx: 0 as *mut i32, + //idx: 0 as *const i32, ai: [0.; 1], aj: [0.; 1], ak: [0.; 1], diff --git a/src/cint1e.rs b/src/cint1e.rs index c6cbfd6..e54f78b 100644 --- a/src/cint1e.rs +++ b/src/cint1e.rs @@ -275,10 +275,10 @@ pub unsafe fn CINT1e_loop( return (*jempty == 0) as i32; } #[no_mangle] -pub unsafe extern "C" fn int1e_cache_size(envs: *mut CINTEnvVars) -> i32 { - let mut shls: *mut i32 = (*envs).shls; - let mut bas: *mut i32 = (*envs).bas; - let mut i_prim: i32 = *bas +pub unsafe extern "C" fn int1e_cache_size(envs: &CINTEnvVars) -> i32 { + let shls: *const i32 = envs.shls; + let bas: *const i32 = envs.bas; + let i_prim: i32 = *bas .offset( (8 as i32 * *shls.offset(0 as isize) + 2 as i32) as isize, @@ -288,26 +288,26 @@ pub unsafe extern "C" fn int1e_cache_size(envs: *mut CINTEnvVars) -> i32 { (8 as i32 * *shls.offset(1 as isize) + 2 as i32) as isize, ); - let mut x_ctr: *mut i32 = ((*envs).x_ctr).as_mut_ptr(); - let mut nc: i32 = (*envs).nf * *x_ctr.offset(0 as isize) + let x_ctr: *const i32 = (envs.x_ctr).as_ptr(); + let nc: i32 = envs.nf * *x_ctr.offset(0 as isize) * *x_ctr.offset(1 as isize); - let mut n_comp: i32 = (*envs).ncomp_e1 * (*envs).ncomp_tensor; - let mut leng: i32 = (*envs).g_size * 3 as i32 - * (((1 as i32) << (*envs).gbits) + 1 as i32); - let mut lenj: i32 = (*envs).nf * nc * n_comp; - let mut leni: i32 = (*envs).nf * *x_ctr.offset(0 as isize) + let mut n_comp: i32 = envs.ncomp_e1 * envs.ncomp_tensor; + let mut leng: i32 = envs.g_size * 3 as i32 + * (((1 as i32) << envs.gbits) + 1 as i32); + let mut lenj: i32 = envs.nf * nc * n_comp; + let mut leni: i32 = envs.nf * *x_ctr.offset(0 as isize) * n_comp; - let mut len0: i32 = (*envs).nf * n_comp; + let mut len0: i32 = envs.nf * n_comp; let mut pdata_size: i32 = i_prim * j_prim * 5 as i32 + i_prim * *x_ctr.offset(0 as isize) + j_prim * *x_ctr.offset(1 as isize) - + (i_prim + j_prim) * 2 as i32 + (*envs).nf * 3 as i32; + + (i_prim + j_prim) * 2 as i32 + envs.nf * 3 as i32; let mut cache_size: i32 = if nc * n_comp + leng + lenj + leni + len0 - + pdata_size > nc * n_comp + (*envs).nf * 8 as i32 * 2 as i32 + + pdata_size > nc * n_comp + envs.nf * 8 as i32 * 2 as i32 { nc * n_comp + leng + lenj + leni + len0 + pdata_size } else { - nc * n_comp + (*envs).nf * 8 as i32 * 2 as i32 + nc * n_comp + envs.nf * 8 as i32 * 2 as i32 }; return cache_size; } @@ -321,7 +321,7 @@ pub unsafe fn CINT1e_drv( int1e_type: i32, ) -> i32 { if out.is_null() { - return int1e_cache_size(envs); + return int1e_cache_size(&*envs); } let mut x_ctr: *mut i32 = ((*envs).x_ctr).as_mut_ptr(); let mut nc: i32 = (*envs).nf * *x_ctr.offset(0 as isize) @@ -329,7 +329,7 @@ pub unsafe fn CINT1e_drv( let mut n_comp: i32 = (*envs).ncomp_e1 * (*envs).ncomp_tensor; let mut stack: *mut f64 = 0 as *mut f64; if cache.is_null() { - let mut cache_size: u64 = int1e_cache_size(envs) as u64; + let mut cache_size: u64 = int1e_cache_size(&*envs) as u64; stack = malloc( (::core::mem::size_of::() as u64) .wrapping_mul(cache_size), From 8cd4e584a6028e5930b122e3fdd8896a4f699791 Mon Sep 17 00:00:00 2001 From: Manuel Drehwald Date: Fri, 20 Mar 2026 21:14:04 -0400 Subject: [PATCH 24/37] const --- src/cint1e.rs | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/src/cint1e.rs b/src/cint1e.rs index e54f78b..611b5fe 100644 --- a/src/cint1e.rs +++ b/src/cint1e.rs @@ -323,7 +323,7 @@ pub unsafe fn CINT1e_drv( if out.is_null() { return int1e_cache_size(&*envs); } - let mut x_ctr: *mut i32 = ((*envs).x_ctr).as_mut_ptr(); + let mut x_ctr: *const i32 = ((*envs).x_ctr).as_ptr(); let mut nc: i32 = (*envs).nf * *x_ctr.offset(0 as isize) * *x_ctr.offset(1 as isize); let mut n_comp: i32 = (*envs).ncomp_e1 * (*envs).ncomp_tensor; @@ -703,7 +703,7 @@ pub unsafe extern "C" fn int1e_ovlp_sph( ); } #[no_mangle] -pub unsafe extern "C" fn int1e_ovlp_cart( +pub unsafe fn int1e_ovlp_cart( out: *mut f64, dims: *mut i32, shls: *mut i32, From c2a3f92e75764dfc0491eb9e46e3276bd958f462 Mon Sep 17 00:00:00 2001 From: Manuel Drehwald Date: Fri, 20 Mar 2026 21:26:56 -0400 Subject: [PATCH 25/37] cleanup --- src/cint1e.rs | 25 ++++++++----------------- 1 file changed, 8 insertions(+), 17 deletions(-) diff --git a/src/cint1e.rs b/src/cint1e.rs index 611b5fe..660c106 100644 --- a/src/cint1e.rs +++ b/src/cint1e.rs @@ -33,8 +33,8 @@ pub unsafe fn CINT1e_loop( mut cache: *mut f64, int1e_type: i32, ) -> i32 { - let shls: *mut i32 = (*envs).shls; - let bas: *mut i32 = (*envs).bas; + let shls: *const i32 = (*envs).shls; + let bas: *const i32 = (*envs).bas; let env: *const f64 = (*envs).env; let i_sh: i32 = *shls.offset(0 as isize); let j_sh: i32 = *shls.offset(1 as isize); @@ -62,7 +62,7 @@ pub unsafe fn CINT1e_loop( ); let n_comp: i32 = (*envs).ncomp_e1 * (*envs).ncomp_tensor; let expcutoff: f64 = (*envs).expcutoff; - let mut pdata_ij: *mut PairData = 0 as *mut PairData; + //let mut pdata_ij: *mut PairData = 0 as *mut PairData; let log_maxci = ((cache as uintptr_t).wrapping_add(7 as u64) & (8 as uintptr_t).wrapping_neg()) as *mut libc::c_void as *mut f64; @@ -174,10 +174,10 @@ pub unsafe fn CINT1e_loop( } let mut common_factor: f64 = (*envs).common_factor * CINTcommon_fac_sp((*envs).i_l) * CINTcommon_fac_sp((*envs).j_l); - pdata_ij = pdata_base; + let mut pdata_ij = pdata_base; jp = 0 as i32; while jp < j_prim { - (*envs).aj[0 as usize] = *aj.offset(jp as isize); + (*envs).aj[0] = *aj.offset(jp as isize); if j_ctr == 1 as i32 { fac1j = common_factor * *cj.offset(jp as isize); } else { @@ -190,15 +190,9 @@ pub unsafe fn CINT1e_loop( (*envs).ai[0 as usize] = *ai.offset(ip as isize); expij = (*pdata_ij).eij; let rij = ((*pdata_ij).rij).as_ptr(); - (*envs) - .rij[0 as i32 - as usize] = *rij.offset(0 as isize); - (*envs) - .rij[1 as i32 - as usize] = *rij.offset(1 as isize); - (*envs) - .rij[2 as i32 - as usize] = *rij.offset(2 as isize); + (*envs).rij[0] = *rij.offset(0); + (*envs).rij[1] = *rij.offset(1); + (*envs).rij[2] = *rij.offset(2); if i_ctr == 1 as i32 { fac1i = fac1j * *ci.offset(ip as isize) * expij; } else { @@ -234,9 +228,7 @@ pub unsafe fn CINT1e_loop( *iempty = 0 as i32; } ip += 1; - ip; pdata_ij = pdata_ij.offset(1); - pdata_ij; } if *iempty == 0 { if j_ctr > 1 as i32 { @@ -267,7 +259,6 @@ pub unsafe fn CINT1e_loop( *jempty = 0 as i32; } jp += 1; - jp; } if n_comp > 1 as i32 && *jempty == 0 { CINTdmat_transpose(gctr, gctrj, (*envs).nf * nc, n_comp); From b27eac279973f4b5e5bd1849de5f2eebbc5d6ee3 Mon Sep 17 00:00:00 2001 From: Manuel Drehwald Date: Fri, 20 Mar 2026 21:32:11 -0400 Subject: [PATCH 26/37] cleanup --- src/cint1e.rs | 18 +++++++----------- 1 file changed, 7 insertions(+), 11 deletions(-) diff --git a/src/cint1e.rs b/src/cint1e.rs index 660c106..e4f9be2 100644 --- a/src/cint1e.rs +++ b/src/cint1e.rs @@ -97,10 +97,7 @@ pub unsafe fn CINT1e_loop( { return 0 as i32; } - let mut fac1i: f64 = 0.; let mut fac1j: f64 = 0.; - let mut expij: f64 = 0.; - let mut ip: i32 = 0; let mut jp: i32 = 0; let mut empty: [i32; 4] = [ 1 as i32, @@ -184,21 +181,20 @@ pub unsafe fn CINT1e_loop( fac1j = common_factor; *iempty = 1 as i32; } - ip = 0 as i32; + let mut ip: i32 = 0; while ip < i_prim { if !((*pdata_ij).cceij > expcutoff) { (*envs).ai[0 as usize] = *ai.offset(ip as isize); - expij = (*pdata_ij).eij; + let expij = (*pdata_ij).eij; let rij = ((*pdata_ij).rij).as_ptr(); (*envs).rij[0] = *rij.offset(0); (*envs).rij[1] = *rij.offset(1); (*envs).rij[2] = *rij.offset(2); - if i_ctr == 1 as i32 { - fac1i = fac1j * *ci.offset(ip as isize) * expij; + (*envs).fac[0] = if i_ctr == 1 { + fac1j * *ci.offset(ip as isize) * expij } else { - fac1i = fac1j * expij; - } - (*envs).fac[0 as usize] = fac1i; + fac1j * expij + }; make_g1e_gout(gout, g, idx, &*envs, *gempty, int1e_type); if i_ctr > 1 as i32 { if *iempty != 0 { @@ -266,7 +262,7 @@ pub unsafe fn CINT1e_loop( return (*jempty == 0) as i32; } #[no_mangle] -pub unsafe extern "C" fn int1e_cache_size(envs: &CINTEnvVars) -> i32 { +pub unsafe fn int1e_cache_size(envs: &CINTEnvVars) -> i32 { let shls: *const i32 = envs.shls; let bas: *const i32 = envs.bas; let i_prim: i32 = *bas From 5f66d1e15dec9a0295eea704b42c917fb305f471 Mon Sep 17 00:00:00 2001 From: Manuel Drehwald Date: Fri, 20 Mar 2026 21:39:24 -0400 Subject: [PATCH 27/37] change while to for loops --- src/cint1e.rs | 9 ++------- 1 file changed, 2 insertions(+), 7 deletions(-) diff --git a/src/cint1e.rs b/src/cint1e.rs index e4f9be2..3440268 100644 --- a/src/cint1e.rs +++ b/src/cint1e.rs @@ -98,7 +98,6 @@ pub unsafe fn CINT1e_loop( return 0 as i32; } let mut fac1j: f64 = 0.; - let mut jp: i32 = 0; let mut empty: [i32; 4] = [ 1 as i32, 1 as i32, @@ -172,8 +171,7 @@ pub unsafe fn CINT1e_loop( let mut common_factor: f64 = (*envs).common_factor * CINTcommon_fac_sp((*envs).i_l) * CINTcommon_fac_sp((*envs).j_l); let mut pdata_ij = pdata_base; - jp = 0 as i32; - while jp < j_prim { + for jp in 0..j_prim { (*envs).aj[0] = *aj.offset(jp as isize); if j_ctr == 1 as i32 { fac1j = common_factor * *cj.offset(jp as isize); @@ -181,8 +179,7 @@ pub unsafe fn CINT1e_loop( fac1j = common_factor; *iempty = 1 as i32; } - let mut ip: i32 = 0; - while ip < i_prim { + for ip in 0..i_prim { if !((*pdata_ij).cceij > expcutoff) { (*envs).ai[0 as usize] = *ai.offset(ip as isize); let expij = (*pdata_ij).eij; @@ -223,7 +220,6 @@ pub unsafe fn CINT1e_loop( } *iempty = 0 as i32; } - ip += 1; pdata_ij = pdata_ij.offset(1); } if *iempty == 0 { @@ -254,7 +250,6 @@ pub unsafe fn CINT1e_loop( } *jempty = 0 as i32; } - jp += 1; } if n_comp > 1 as i32 && *jempty == 0 { CINTdmat_transpose(gctr, gctrj, (*envs).nf * nc, n_comp); From 6e65e351ef75ba980a4af7c52910a45444b079b2 Mon Sep 17 00:00:00 2001 From: Manuel Drehwald Date: Fri, 20 Mar 2026 21:41:57 -0400 Subject: [PATCH 28/37] cleanup --- src/cint1e.rs | 36 ++++++++++++++++++------------------ 1 file changed, 18 insertions(+), 18 deletions(-) diff --git a/src/cint1e.rs b/src/cint1e.rs index 3440268..fbd6ff3 100644 --- a/src/cint1e.rs +++ b/src/cint1e.rs @@ -171,24 +171,24 @@ pub unsafe fn CINT1e_loop( let mut common_factor: f64 = (*envs).common_factor * CINTcommon_fac_sp((*envs).i_l) * CINTcommon_fac_sp((*envs).j_l); let mut pdata_ij = pdata_base; - for jp in 0..j_prim { - (*envs).aj[0] = *aj.offset(jp as isize); + for jp in 0..(j_prim as isize) { + (*envs).aj[0] = *aj.offset(jp); if j_ctr == 1 as i32 { - fac1j = common_factor * *cj.offset(jp as isize); + fac1j = common_factor * *cj.offset(jp); } else { fac1j = common_factor; *iempty = 1 as i32; } - for ip in 0..i_prim { + for ip in 0..(i_prim as isize) { if !((*pdata_ij).cceij > expcutoff) { - (*envs).ai[0 as usize] = *ai.offset(ip as isize); + (*envs).ai[0 as usize] = *ai.offset(ip); let expij = (*pdata_ij).eij; let rij = ((*pdata_ij).rij).as_ptr(); (*envs).rij[0] = *rij.offset(0); (*envs).rij[1] = *rij.offset(1); (*envs).rij[2] = *rij.offset(2); (*envs).fac[0] = if i_ctr == 1 { - fac1j * *ci.offset(ip as isize) * expij + fac1j * *ci.offset(ip) * expij } else { fac1j * expij }; @@ -198,23 +198,23 @@ pub unsafe fn CINT1e_loop( CINTprim_to_ctr_0( gctri, gout, - ci.offset(ip as isize), + ci.offset(ip), ((*envs).nf * n_comp) as u64, i_prim, i_ctr, - *non0ctri.offset(ip as isize), - non0idxi.offset((ip * i_ctr) as isize), + *non0ctri.offset(ip), + non0idxi.offset(ip * i_ctr as isize), ); } else { CINTprim_to_ctr_1( gctri, gout, - ci.offset(ip as isize), + ci.offset(ip), ((*envs).nf * n_comp) as u64, i_prim, i_ctr, - *non0ctri.offset(ip as isize), - non0idxi.offset((ip * i_ctr) as isize), + *non0ctri.offset(ip), + non0idxi.offset(ip * i_ctr as isize), ); } } @@ -228,23 +228,23 @@ pub unsafe fn CINT1e_loop( CINTprim_to_ctr_0( gctrj, gctri, - cj.offset(jp as isize), + cj.offset(jp), ((*envs).nf * i_ctr * n_comp) as u64, j_prim, j_ctr, - *non0ctrj.offset(jp as isize), - non0idxj.offset((jp * j_ctr) as isize), + *non0ctrj.offset(jp), + non0idxj.offset(jp * j_ctr as isize), ); } else { CINTprim_to_ctr_1( gctrj, gctri, - cj.offset(jp as isize), + cj.offset(jp), ((*envs).nf * i_ctr * n_comp) as u64, j_prim, j_ctr, - *non0ctrj.offset(jp as isize), - non0idxj.offset((jp * j_ctr) as isize), + *non0ctrj.offset(jp), + non0idxj.offset(jp * j_ctr as isize), ); } } From 238b4e5ca685a5c47735523e652ba465d582a1e1 Mon Sep 17 00:00:00 2001 From: Manuel Drehwald Date: Fri, 20 Mar 2026 21:48:52 -0400 Subject: [PATCH 29/37] reduce-warnings --- src/optimizer.rs | 2 +- src/rys_roots.rs | 2 +- src/rys_wheeler.rs | 2 +- 3 files changed, 3 insertions(+), 3 deletions(-) diff --git a/src/optimizer.rs b/src/optimizer.rs index d83a4ea..9f10c2d 100644 --- a/src/optimizer.rs +++ b/src/optimizer.rs @@ -1,4 +1,4 @@ -#![allow(dead_code, mutable_transmutes, non_camel_case_types, non_snake_case, non_upper_case_globals, unused_assignments, unused_mut)] +#![allow(path_statements, dead_code, mutable_transmutes, non_camel_case_types, non_snake_case, non_upper_case_globals, unused_assignments, unused_mut)] use crate::g1e::CINTg1e_index_xyz; use crate::g1e::CINTinit_int1e_EnvVars; diff --git a/src/rys_roots.rs b/src/rys_roots.rs index 930dc19..173d6a2 100644 --- a/src/rys_roots.rs +++ b/src/rys_roots.rs @@ -1,4 +1,4 @@ -#![allow(dead_code, mutable_transmutes, non_camel_case_types, non_snake_case, non_upper_case_globals, unused_assignments, unused_mut)] +#![allow(path_statements, dead_code, mutable_transmutes, non_camel_case_types, non_snake_case, non_upper_case_globals, unused_assignments, unused_mut)] use crate::find_roots::_CINT_polynomial_roots; use crate::fmt::fmt_erfc_like; diff --git a/src/rys_wheeler.rs b/src/rys_wheeler.rs index 978b55a..e4b1ca7 100644 --- a/src/rys_wheeler.rs +++ b/src/rys_wheeler.rs @@ -1,4 +1,4 @@ -#![allow(dead_code, mutable_transmutes, non_camel_case_types, non_snake_case, non_upper_case_globals, unused_assignments, unused_mut)] +#![allow(path_statements, dead_code, mutable_transmutes, non_camel_case_types, non_snake_case, non_upper_case_globals, unused_assignments, unused_mut)] use crate::fmt::fmt_lerfc_like; use crate::fmt::fmt_erfc_like; From 02c47576eda998f33005f76e49dc873b2c3c1e0f Mon Sep 17 00:00:00 2001 From: Manuel Drehwald Date: Fri, 20 Mar 2026 21:56:38 -0400 Subject: [PATCH 30/37] const --- src/optimizer.rs | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/src/optimizer.rs b/src/optimizer.rs index 9f10c2d..a5a6a86 100644 --- a/src/optimizer.rs +++ b/src/optimizer.rs @@ -812,13 +812,13 @@ pub unsafe extern "C" fn CINTOpt_set_log_maxc( } #[no_mangle] pub unsafe fn CINTset_pairdata( - mut pairdata: *mut PairData, + pairdata: *mut PairData, ai: *const f64, aj: *const f64, ri: *const f64, rj: *const f64, - log_maxci: *mut f64, - log_maxcj: *mut f64, + log_maxci: *const f64, + log_maxcj: *const f64, li_ceil: i32, lj_ceil: i32, iprim: i32, From c13ffc485f0c8f97776945ad44bf62fb3786f584 Mon Sep 17 00:00:00 2001 From: Manuel Drehwald Date: Fri, 20 Mar 2026 22:01:32 -0400 Subject: [PATCH 31/37] skip casting of literal ints --- src/g1e.rs | 114 +++++++++++++++++++++++++---------------------------- 1 file changed, 54 insertions(+), 60 deletions(-) diff --git a/src/g1e.rs b/src/g1e.rs index a95786e..4e70334 100644 --- a/src/g1e.rs +++ b/src/g1e.rs @@ -13,7 +13,7 @@ fn MAX(x: T, y: T) -> T { } } -fn SQUARE(r: *mut f64) -> f64 { +fn SQUARE(r: *const f64) -> f64 { unsafe { (*r.add(0) * *r.add(0)) + (*r.add(1) * *r.add(1)) + (*r.add(2) * *r.add(2)) } @@ -36,8 +36,8 @@ pub unsafe fn CINTinit_int1e_EnvVars( (*envs).bas = bas; (*envs).env = env; (*envs).shls = shls; - let i_sh: i32 = *shls.offset(0 as isize); - let j_sh: i32 = *shls.offset(1 as isize); + let i_sh: i32 = *shls.offset(0); + let j_sh: i32 = *shls.offset(1); (*envs).i_l = *bas.offset((8 as i32 * i_sh + 1 as i32) as isize); (*envs).j_l = *bas.offset((8 as i32 * j_sh + 1 as i32) as isize); (*envs) @@ -54,11 +54,11 @@ pub unsafe fn CINTinit_int1e_EnvVars( / 2 as i32; (*envs).nf = (*envs).nfi * (*envs).nfj; (*envs).common_factor = 1 as f64; - if *env.offset(0 as isize) == 0 as f64 { + if *env.offset(0) == 0 as f64 { (*envs).expcutoff = 60 as f64; } else { (*envs) - .expcutoff = MAX(40 as f64, *env.offset(0 as isize)) + .expcutoff = MAX(40 as f64, *env.offset(0)) as f64; } (*envs).li_ceil = (*envs).i_l + ng[0]; @@ -105,31 +105,31 @@ pub unsafe fn CINTinit_int1e_EnvVars( dlj = (*envs).lj_ceil + 1 as i32; (*envs) .rirj[0 as i32 - as usize] = *((*envs).ri).offset(0 as isize) - - *((*envs).rj).offset(0 as isize); + as usize] = *((*envs).ri).offset(0) + - *((*envs).rj).offset(0); (*envs) .rirj[1 as i32 - as usize] = *((*envs).ri).offset(1 as isize) - - *((*envs).rj).offset(1 as isize); + as usize] = *((*envs).ri).offset(1) + - *((*envs).rj).offset(1); (*envs) .rirj[2 as i32 - as usize] = *((*envs).ri).offset(2 as isize) - - *((*envs).rj).offset(2 as isize); + as usize] = *((*envs).ri).offset(2) + - *((*envs).rj).offset(2); } else { dli = (*envs).li_ceil + 1 as i32; dlj = (*envs).li_ceil + (*envs).lj_ceil + 1 as i32; (*envs) .rirj[0 as i32 - as usize] = *((*envs).rj).offset(0 as isize) - - *((*envs).ri).offset(0 as isize); + as usize] = *((*envs).rj).offset(0) + - *((*envs).ri).offset(0); (*envs) .rirj[1 as i32 - as usize] = *((*envs).rj).offset(1 as isize) - - *((*envs).ri).offset(1 as isize); + as usize] = *((*envs).rj).offset(1) + - *((*envs).ri).offset(1); (*envs) .rirj[2 as i32 - as usize] = *((*envs).rj).offset(2 as isize) - - *((*envs).ri).offset(2 as isize); + as usize] = *((*envs).rj).offset(2) + - *((*envs).ri).offset(2); } (*envs).g_stride_i = (*envs).nrys_roots; (*envs).g_stride_j = (*envs).nrys_roots * dli; @@ -198,11 +198,11 @@ pub unsafe fn CINTg1e_ovlp( .offset(((*envs).g_size * 2 as i32) as isize); let mut aij: f64 = (*envs).ai[0 as usize] + (*envs).aj[0 as usize]; - *gx.offset(0 as isize) = 1 as f64; - *gy.offset(0 as isize) = 1 as f64; + *gx.offset(0) = 1 as f64; + *gy.offset(0) = 1 as f64; *gz .offset( - 0 as isize, + 0, ) = (*envs).fac[0 as usize] * 1.7724538509055160272981674833411451f64 * 3.14159265358979323846f64 / (aij * (aij).sqrt()); @@ -233,26 +233,26 @@ pub unsafe fn CINTg1e_ovlp( } let mut rijrx: [f64; 3] = [0.; 3]; rijrx[0 as i32 - as usize] = *rij.offset(0 as isize) - - *rx.offset(0 as isize); + as usize] = *rij.offset(0) + - *rx.offset(0); rijrx[1 as i32 - as usize] = *rij.offset(1 as isize) - - *rx.offset(1 as isize); + as usize] = *rij.offset(1) + - *rx.offset(1); rijrx[2 as i32 - as usize] = *rij.offset(2 as isize) - - *rx.offset(2 as isize); + as usize] = *rij.offset(2) + - *rx.offset(2); *gx .offset( di as isize, - ) = rijrx[0 as usize] * *gx.offset(0 as isize); + ) = rijrx[0 as usize] * *gx.offset(0); *gy .offset( di as isize, - ) = rijrx[1 as usize] * *gy.offset(0 as isize); + ) = rijrx[1 as usize] * *gy.offset(0); *gz .offset( di as isize, - ) = rijrx[2 as usize] * *gz.offset(0 as isize); + ) = rijrx[2 as usize] * *gz.offset(0); let mut aij2: f64 = 0.5f64 / aij; i = 1 as i32; while i < nmax { @@ -287,19 +287,19 @@ pub unsafe fn CINTg1e_ovlp( .offset( n as isize, ) = *gx.offset((n + di - dj) as isize) - + *rirj.offset(0 as isize) + + *rirj.offset(0) * *gx.offset((n - dj) as isize); *gy .offset( n as isize, ) = *gy.offset((n + di - dj) as isize) - + *rirj.offset(1 as isize) + + *rirj.offset(1) * *gy.offset((n - dj) as isize); *gz .offset( n as isize, ) = *gz.offset((n + di - dj) as isize) - + *rirj.offset(2 as isize) + + *rirj.offset(2) * *gz.offset((n - dj) as isize); i += 1; i; @@ -391,16 +391,10 @@ pub unsafe fn CINTg1e_nuc( as isize, ); } - crij[0 as i32 - as usize] = *cr.offset(0 as isize) - - *rij.offset(0 as isize); - crij[1 as i32 - as usize] = *cr.offset(1 as isize) - - *rij.offset(1 as isize); - crij[2 as i32 - as usize] = *cr.offset(2 as isize) - - *rij.offset(2 as isize); - x = aij * tau * tau * SQUARE(crij.as_mut_ptr()) as f64; + crij[0] = *cr.offset(0) - *rij.offset(0); + crij[1] = *cr.offset(1) - *rij.offset(1); + crij[2] = *cr.offset(2) - *rij.offset(2); + x = aij * tau * tau * SQUARE(crij.as_ptr()) as f64; CINTrys_roots(nrys_roots, x, u.as_mut_ptr(), w); i = 0 as i32; while i < nrys_roots { @@ -438,12 +432,12 @@ pub unsafe fn CINTg1e_nuc( dj = (*envs).g_stride_i; rx = (*envs).rj; } - let mut rijrx: f64 = *rij.offset(0 as isize) - - *rx.offset(0 as isize); - let mut rijry: f64 = *rij.offset(1 as isize) - - *rx.offset(1 as isize); - let mut rijrz: f64 = *rij.offset(2 as isize) - - *rx.offset(2 as isize); + let mut rijrx: f64 = *rij.offset(0) + - *rx.offset(0); + let mut rijry: f64 = *rij.offset(1) + - *rx.offset(1); + let mut rijrz: f64 = *rij.offset(2) + - *rx.offset(2); let mut aij2: f64 = 0.5f64 / aij; let mut ru: f64 = 0.; let mut rt: f64 = 0.; @@ -461,9 +455,9 @@ pub unsafe fn CINTg1e_nuc( ru = tau * tau * u[n as usize] / (1 as f64 + u[n as usize]); rt = aij2 - aij2 * ru; - r0 = rijrx + ru * crij[0 as usize]; - r1 = rijry + ru * crij[1 as usize]; - r2 = rijrz + ru * crij[2 as usize]; + r0 = rijrx + ru * crij[0]; + r1 = rijry + ru * crij[1]; + r2 = rijrz + ru * crij[2]; *p0x.offset(n as isize) = r0 * *gx.offset(n as isize); *p0y.offset(n as isize) = r1 * *gy.offset(n as isize); *p0z.offset(n as isize) = r2 * *gz.offset(n as isize); @@ -778,17 +772,17 @@ pub unsafe fn CINTx1i_1e( .offset( i as isize, ) = *gx.offset((i + 1 as i32) as isize) - + *ri.offset(0 as isize) * *gx.offset(i as isize); + + *ri.offset(0) * *gx.offset(i as isize); *fy .offset( i as isize, ) = *gy.offset((i + 1 as i32) as isize) - + *ri.offset(1 as isize) * *gy.offset(i as isize); + + *ri.offset(1) * *gy.offset(i as isize); *fz .offset( i as isize, ) = *gz.offset((i + 1 as i32) as isize) - + *ri.offset(2 as isize) * *gz.offset(i as isize); + + *ri.offset(2) * *gz.offset(i as isize); i += 1; i; } @@ -834,17 +828,17 @@ pub unsafe fn CINTx1j_1e( .offset( i as isize, ) = *gx.offset((i + dj) as isize) - + *rj.offset(0 as isize) * *gx.offset(i as isize); + + *rj.offset(0) * *gx.offset(i as isize); *fy .offset( i as isize, ) = *gy.offset((i + dj) as isize) - + *rj.offset(1 as isize) * *gy.offset(i as isize); + + *rj.offset(1) * *gy.offset(i as isize); *fz .offset( i as isize, ) = *gz.offset((i + dj) as isize) - + *rj.offset(2 as isize) * *gz.offset(i as isize); + + *rj.offset(2) * *gz.offset(i as isize); i += 1; i; } @@ -890,17 +884,17 @@ pub unsafe fn CINTx1k_1e( .offset( i as isize, ) = *gx.offset((i + dk) as isize) - + *rk.offset(0 as isize) * *gx.offset(i as isize); + + *rk.offset(0) * *gx.offset(i as isize); *fy .offset( i as isize, ) = *gy.offset((i + dk) as isize) - + *rk.offset(1 as isize) * *gy.offset(i as isize); + + *rk.offset(1) * *gy.offset(i as isize); *fz .offset( i as isize, ) = *gz.offset((i + dk) as isize) - + *rk.offset(2 as isize) * *gz.offset(i as isize); + + *rk.offset(2) * *gz.offset(i as isize); i += 1; i; } From 05874b78f5f98089b73bc88bac8ce6c39b9dd0d1 Mon Sep 17 00:00:00 2001 From: Manuel Drehwald Date: Fri, 20 Mar 2026 22:32:55 -0400 Subject: [PATCH 32/37] make f_c2s and more stuff a rust fn and/or const --- src/cart2sph.rs | 16 +++---- src/cint1e.rs | 110 ++++++++++++++++++++++++------------------------ src/cint_bas.rs | 9 ++-- src/g1e.rs | 43 +++++++++---------- src/intor1.rs | 28 ++++++------ 5 files changed, 98 insertions(+), 108 deletions(-) diff --git a/src/cart2sph.rs b/src/cart2sph.rs index 9bcd1f3..2da516a 100644 --- a/src/cart2sph.rs +++ b/src/cart2sph.rs @@ -90438,7 +90438,7 @@ unsafe extern "C" fn a_iket1_cart2spinor( } unsafe extern "C" fn dcopy_ij( mut out: *mut f64, - mut gctr: *mut f64, + mut gctr: *const f64, ni: i32, _nj: i32, mi: i32, @@ -91011,11 +91011,11 @@ unsafe extern "C" fn sph2e_inner( return gsph; } #[no_mangle] -pub unsafe extern "C" fn c2s_sph_1e( - mut opij: *mut f64, +pub unsafe fn c2s_sph_1e( + opij: *mut f64, mut gctr: *mut f64, - mut dims: *mut i32, - mut envs: *mut CINTEnvVars, + dims: *const i32, + envs: *const CINTEnvVars, mut cache: *mut f64, ) { let mut i_l: i32 = (*envs).i_l; @@ -91540,11 +91540,11 @@ pub unsafe extern "C" fn c2s_sph_2e1( // } // } #[no_mangle] -pub unsafe extern "C" fn c2s_cart_1e( +pub unsafe fn c2s_cart_1e( mut opij: *mut f64, mut gctr: *mut f64, - mut dims: *mut i32, - mut envs: *mut CINTEnvVars, + mut dims: *const i32, + mut envs: *const CINTEnvVars, _cache: *mut f64, ) { let mut i_ctr: i32 = (*envs).x_ctr[0 as usize]; diff --git a/src/cint1e.rs b/src/cint1e.rs index fbd6ff3..fb3bc84 100644 --- a/src/cint1e.rs +++ b/src/cint1e.rs @@ -299,7 +299,7 @@ pub unsafe fn CINT1e_drv( mut dims: *mut i32, envs: *mut CINTEnvVars, mut cache: *mut f64, - f_c2s: Option:: ()>, + f_c2s: Option:: ()>, int1e_type: i32, ) -> i32 { if out.is_null() { @@ -331,23 +331,23 @@ pub unsafe fn CINT1e_drv( if f_c2s == ::core::mem::transmute::< Option::< - unsafe extern "C" fn( + unsafe fn( *mut f64, *mut f64, - *mut i32, - *mut CINTEnvVars, + *const i32, + *const CINTEnvVars, *mut f64, ) -> (), >, - Option:: ()>, + Option:: ()>, >( Some( c2s_sph_1e - as unsafe extern "C" fn( + as unsafe fn( *mut f64, *mut f64, - *mut i32, - *mut CINTEnvVars, + *const i32, + *const CINTEnvVars, *mut f64, ) -> (), ), @@ -362,23 +362,23 @@ pub unsafe fn CINT1e_drv( } else if f_c2s == ::core::mem::transmute::< Option::< - unsafe extern "C" fn( + unsafe fn( *mut f64, *mut f64, - *mut i32, - *mut CINTEnvVars, + *const i32, + *const CINTEnvVars, *mut f64, ) -> (), >, - Option:: ()>, + Option:: ()>, >( Some( c2s_cart_1e - as unsafe extern "C" fn( + as unsafe fn( *mut f64, *mut f64, - *mut i32, - *mut CINTEnvVars, + *const i32, + *const CINTEnvVars, *mut f64, ) -> (), ), @@ -635,12 +635,10 @@ pub unsafe extern "C" fn int1e_ovlp_sph( *mut f64, *mut i32, &CINTEnvVars, - //*mut CINTEnvVars, i32, ) -> (), >, Option:: ()>, - //Option:: ()>, >( Some( CINTgout1e @@ -660,23 +658,23 @@ pub unsafe extern "C" fn int1e_ovlp_sph( cache, ::core::mem::transmute::< Option::< - unsafe extern "C" fn( + unsafe fn( *mut f64, *mut f64, - *mut i32, - *mut CINTEnvVars, + *const i32, + *const CINTEnvVars, *mut f64, ) -> (), >, - Option:: ()>, + Option:: ()>, >( Some( c2s_sph_1e - as unsafe extern "C" fn( + as unsafe fn( *mut f64, *mut f64, - *mut i32, - *mut CINTEnvVars, + *const i32, + *const CINTEnvVars, *mut f64, ) -> (), ), @@ -740,23 +738,23 @@ pub unsafe fn int1e_ovlp_cart( cache, ::core::mem::transmute::< Option::< - unsafe extern "C" fn( + unsafe fn( *mut f64, *mut f64, - *mut i32, - *mut CINTEnvVars, + *const i32, + *const CINTEnvVars, *mut f64, ) -> (), >, - Option:: ()>, + Option:: ()>, >( Some( c2s_cart_1e - as unsafe extern "C" fn( + as unsafe fn( *mut f64, *mut f64, - *mut i32, - *mut CINTEnvVars, + *const i32, + *const CINTEnvVars, *mut f64, ) -> (), ), @@ -777,16 +775,16 @@ pub unsafe extern "C" fn int1e_ovlp_optimizer( } #[no_mangle] pub unsafe extern "C" fn int1e_nuc_sph( - mut out: *mut f64, - mut dims: *mut i32, - mut shls: *mut i32, - mut atm: *mut i32, - mut natm: i32, - mut bas: *mut i32, - mut nbas: i32, - mut env: *mut f64, + out: *mut f64, + dims: *mut i32, + shls: *mut i32, + atm: *mut i32, + natm: i32, + bas: *mut i32, + nbas: i32, + env: *mut f64, _opt: *mut CINTOpt, - mut cache: *mut f64, + cache: *mut f64, ) -> i32 { let ng: [i32; 8] = [ 0 as i32, @@ -831,23 +829,23 @@ pub unsafe extern "C" fn int1e_nuc_sph( cache, ::core::mem::transmute::< Option::< - unsafe extern "C" fn( + unsafe fn( *mut f64, *mut f64, - *mut i32, - *mut CINTEnvVars, + *const i32, + *const CINTEnvVars, *mut f64, ) -> (), >, - Option:: ()>, + Option:: ()>, >( Some( c2s_sph_1e - as unsafe extern "C" fn( + as unsafe fn( *mut f64, *mut f64, - *mut i32, - *mut CINTEnvVars, + *const i32, + *const CINTEnvVars, *mut f64, ) -> (), ), @@ -866,7 +864,7 @@ pub unsafe extern "C" fn int1e_nuc_cart( nbas: i32, env: *mut f64, _opt: *mut CINTOpt, - mut cache: *mut f64, + cache: *mut f64, ) -> i32 { let ng: [i32; 8] = [ 0 as i32, @@ -911,23 +909,23 @@ pub unsafe extern "C" fn int1e_nuc_cart( cache, ::core::mem::transmute::< Option::< - unsafe extern "C" fn( + unsafe fn( *mut f64, *mut f64, - *mut i32, - *mut CINTEnvVars, + *const i32, + *const CINTEnvVars, *mut f64, ) -> (), >, - Option:: ()>, + Option:: ()>, >( Some( c2s_cart_1e - as unsafe extern "C" fn( + as unsafe fn( *mut f64, *mut f64, - *mut i32, - *mut CINTEnvVars, + *const i32, + *const CINTEnvVars, *mut f64, ) -> (), ), @@ -937,7 +935,7 @@ pub unsafe extern "C" fn int1e_nuc_cart( } #[no_mangle] pub unsafe extern "C" fn int1e_nuc_optimizer( - mut opt: *mut *mut CINTOpt, + opt: *mut *mut CINTOpt, _atm: *mut i32, _natm: i32, _bas: *mut i32, diff --git a/src/cint_bas.rs b/src/cint_bas.rs index 220e18e..d08fca2 100644 --- a/src/cint_bas.rs +++ b/src/cint_bas.rs @@ -335,9 +335,9 @@ pub unsafe extern "C" fn CINTshells_spinor_offset( } #[no_mangle] pub unsafe extern "C" fn CINTcart_comp( - mut nx: *mut i32, - mut ny: *mut i32, - mut nz: *mut i32, + nx: *mut i32, + ny: *mut i32, + nz: *mut i32, lmax: i32, ) { let mut inc: i32 = 0 as i32; @@ -353,11 +353,8 @@ pub unsafe extern "C" fn CINTcart_comp( *ny.offset(inc as isize) = ly; *nz.offset(inc as isize) = lz; inc += 1; - inc; ly -= 1; - ly; } lx -= 1; - lx; } } diff --git a/src/g1e.rs b/src/g1e.rs index 4e70334..040d40b 100644 --- a/src/g1e.rs +++ b/src/g1e.rs @@ -38,14 +38,14 @@ pub unsafe fn CINTinit_int1e_EnvVars( (*envs).shls = shls; let i_sh: i32 = *shls.offset(0); let j_sh: i32 = *shls.offset(1); - (*envs).i_l = *bas.offset((8 as i32 * i_sh + 1 as i32) as isize); - (*envs).j_l = *bas.offset((8 as i32 * j_sh + 1 as i32) as isize); + (*envs).i_l = *bas.offset((8 * i_sh + 1 as i32) as isize); + (*envs).j_l = *bas.offset((8 * j_sh + 1 as i32) as isize); (*envs) .x_ctr[0 as i32 - as usize] = *bas.offset((8 as i32 * i_sh + 3 as i32) as isize); + as usize] = *bas.offset((8 * i_sh + 3 as i32) as isize); (*envs) .x_ctr[1 as i32 - as usize] = *bas.offset((8 as i32 * j_sh + 3 as i32) as isize); + as usize] = *bas.offset((8 * j_sh + 3 as i32) as isize); (*envs) .nfi = ((*envs).i_l + 1 as i32) * ((*envs).i_l + 2 as i32) / 2 as i32; @@ -71,7 +71,7 @@ pub unsafe fn CINTinit_int1e_EnvVars( (6 as i32 * *bas .offset( - (8 as i32 * i_sh + 0 as i32) as isize, + (8 * i_sh + 0 as i32) as isize, ) + 1 as i32) as isize, ) as isize, ); @@ -83,7 +83,7 @@ pub unsafe fn CINTinit_int1e_EnvVars( (6 as i32 * *bas .offset( - (8 as i32 * j_sh + 0 as i32) as isize, + (8 * j_sh + 0 as i32) as isize, ) + 1 as i32) as isize, ) as isize, ); @@ -139,7 +139,7 @@ pub unsafe fn CINTinit_int1e_EnvVars( } #[no_mangle] pub unsafe fn CINTg1e_index_xyz( - mut idx: *mut i32, + idx: *mut i32, envs: &CINTEnvVars, ) { let i_l: i32 = envs.i_l; @@ -148,9 +148,6 @@ pub unsafe fn CINTg1e_index_xyz( let nfj: i32 = envs.nfj; let di: i32 = envs.g_stride_i; let dj: i32 = envs.g_stride_j; - let mut i: i32 = 0; - let mut j: i32 = 0; - let mut n: i32 = 0; let mut ofx: i32 = 0; let mut ofjx: i32 = 0; let mut ofy: i32 = 0; @@ -168,23 +165,21 @@ pub unsafe fn CINTg1e_index_xyz( ofx = 0 as i32; ofy = envs.g_size; ofz = envs.g_size * 2 as i32; - n = 0 as i32; - j = 0 as i32; - while j < nfj { - ofjx = ofx + dj * j_nx[j as usize]; - ofjy = ofy + dj * j_ny[j as usize]; - ofjz = ofz + dj * j_nz[j as usize]; - i = 0 as i32; - while i < nfi { - *idx.offset((n + 0 as i32) as isize) = ofjx + di * i_nx[i as usize]; - *idx.offset((n + 1 as i32) as isize) = ofjy + di * i_ny[i as usize]; - *idx.offset((n + 2 as i32) as isize) = ofjz + di * i_nz[i as usize]; - n += 3 as i32; + let mut n: isize = 0; + let mut j: usize = 0; + while j < (nfj as usize) { + ofjx = ofx + dj * j_nx[j]; + ofjy = ofy + dj * j_ny[j]; + ofjz = ofz + dj * j_nz[j]; + let mut i: usize = 0; + while i < (nfi as usize) { + *idx.offset(n + 0) = ofjx + di * i_nx[i]; + *idx.offset(n + 1) = ofjy + di * i_ny[i]; + *idx.offset(n + 2) = ofjz + di * i_nz[i]; + n += 3; i += 1; - i; } j += 1; - j; } } #[no_mangle] diff --git a/src/intor1.rs b/src/intor1.rs index 7533406..254eb4a 100644 --- a/src/intor1.rs +++ b/src/intor1.rs @@ -190,23 +190,23 @@ pub unsafe extern "C" fn int1e_kin_cart( cache, ::core::mem::transmute::< Option::< - unsafe extern "C" fn( + unsafe fn( *mut f64, *mut f64, - *mut i32, - *mut CINTEnvVars, + *const i32, + *const CINTEnvVars, *mut f64, ) -> (), >, - Option:: ()>, + Option:: ()>, >( Some( c2s_cart_1e - as unsafe extern "C" fn( + as unsafe fn( *mut f64, *mut f64, - *mut i32, - *mut CINTEnvVars, + *const i32, + *const CINTEnvVars, *mut f64, ) -> (), ), @@ -271,23 +271,23 @@ pub unsafe extern "C" fn int1e_kin_sph( cache, ::core::mem::transmute::< Option::< - unsafe extern "C" fn( + unsafe fn( *mut f64, *mut f64, - *mut i32, - *mut CINTEnvVars, + *const i32, + *const CINTEnvVars, *mut f64, ) -> (), >, - Option:: ()>, + Option:: ()>, >( Some( c2s_sph_1e - as unsafe extern "C" fn( + as unsafe fn( *mut f64, *mut f64, - *mut i32, - *mut CINTEnvVars, + *const i32, + *const CINTEnvVars, *mut f64, ) -> (), ), From 491d991b2accbbe694e6943602f6171f1b437005 Mon Sep 17 00:00:00 2001 From: Manuel Drehwald Date: Fri, 20 Mar 2026 22:37:15 -0400 Subject: [PATCH 33/37] skip casting of literal ints --- src/cint1e.rs | 188 +++++++++++++++++++++++++------------------------- src/fblas.rs | 70 +++++++++---------- 2 files changed, 129 insertions(+), 129 deletions(-) diff --git a/src/cint1e.rs b/src/cint1e.rs index fb3bc84..563318c 100644 --- a/src/cint1e.rs +++ b/src/cint1e.rs @@ -41,9 +41,9 @@ pub unsafe fn CINT1e_loop( let i_ctr: i32 = (*envs).x_ctr[0 as usize]; let j_ctr: i32 = (*envs).x_ctr[1 as usize]; let i_prim: i32 = *bas - .offset((8 as i32 * i_sh + 2 as i32) as isize); + .offset((8 as i32 * i_sh + 2) as isize); let j_prim: i32 = *bas - .offset((8 as i32 * j_sh + 2 as i32) as isize); + .offset((8 as i32 * j_sh + 2) as isize); let ai: *const f64 = env .offset( *bas.offset((8 as i32 * i_sh + 5 as i32) as isize) as isize, @@ -95,14 +95,14 @@ pub unsafe fn CINT1e_loop( env, ) != 0 { - return 0 as i32; + return 0; } let mut fac1j: f64 = 0.; let mut empty: [i32; 4] = [ - 1 as i32, - 1 as i32, - 1 as i32, - 1 as i32, + 1, + 1, + 1, + 1, ]; let mut gempty: *mut i32 = empty .as_mut_ptr() @@ -117,7 +117,7 @@ pub unsafe fn CINT1e_loop( idx = ((cache as uintptr_t).wrapping_add(7 as u64) & (8 as uintptr_t).wrapping_neg()) as *mut libc::c_void as *mut i32; - cache = idx.offset(((*envs).nf * 3 as i32) as isize) as *mut f64; + cache = idx.offset(((*envs).nf * 3) as isize) as *mut f64; CINTg1e_index_xyz(idx, &*envs); let mut non0ctri: *mut i32 = 0 as *mut i32; let mut non0ctrj: *mut i32 = 0 as *mut i32; @@ -134,8 +134,8 @@ pub unsafe fn CINT1e_loop( CINTOpt_non0coeff_byshell(non0idxi, non0ctri, ci, i_prim, i_ctr); CINTOpt_non0coeff_byshell(non0idxj, non0ctrj, cj, j_prim, j_ctr); let nc: i32 = i_ctr * j_ctr; - let leng: i32 = (*envs).g_size * 3 as i32 - * (((1 as i32) << (*envs).gbits) + 1 as i32); + let leng: i32 = (*envs).g_size * 3 + * (((1) << (*envs).gbits) + 1); let lenj: i32 = (*envs).nf * nc * n_comp; let leni: i32 = (*envs).nf * i_ctr * n_comp; let len0: i32 = (*envs).nf * n_comp; @@ -149,20 +149,20 @@ pub unsafe fn CINT1e_loop( as *mut f64; cache = g.offset(len as isize); let mut g1: *mut f64 = g.offset(leng as isize); - if n_comp == 1 as i32 { + if n_comp == 1 { gctrj = gctr; } else { gctrj = g1; g1 = g1.offset(lenj as isize); } - if j_ctr == 1 as i32 { + if j_ctr == 1 { gctri = gctrj; iempty = jempty; } else { gctri = g1; g1 = g1.offset(leni as isize); } - if i_ctr == 1 as i32 { + if i_ctr == 1 { gout = gctri; gempty = iempty; } else { @@ -173,11 +173,11 @@ pub unsafe fn CINT1e_loop( let mut pdata_ij = pdata_base; for jp in 0..(j_prim as isize) { (*envs).aj[0] = *aj.offset(jp); - if j_ctr == 1 as i32 { + if j_ctr == 1 { fac1j = common_factor * *cj.offset(jp); } else { fac1j = common_factor; - *iempty = 1 as i32; + *iempty = 1; } for ip in 0..(i_prim as isize) { if !((*pdata_ij).cceij > expcutoff) { @@ -193,7 +193,7 @@ pub unsafe fn CINT1e_loop( fac1j * expij }; make_g1e_gout(gout, g, idx, &*envs, *gempty, int1e_type); - if i_ctr > 1 as i32 { + if i_ctr > 1 { if *iempty != 0 { CINTprim_to_ctr_0( gctri, @@ -218,12 +218,12 @@ pub unsafe fn CINT1e_loop( ); } } - *iempty = 0 as i32; + *iempty = 0; } pdata_ij = pdata_ij.offset(1); } if *iempty == 0 { - if j_ctr > 1 as i32 { + if j_ctr > 1 { if *jempty != 0 { CINTprim_to_ctr_0( gctrj, @@ -248,10 +248,10 @@ pub unsafe fn CINT1e_loop( ); } } - *jempty = 0 as i32; + *jempty = 0; } } - if n_comp > 1 as i32 && *jempty == 0 { + if n_comp > 1 && *jempty == 0 { CINTdmat_transpose(gctr, gctrj, (*envs).nf * nc, n_comp); } return (*jempty == 0) as i32; @@ -263,19 +263,19 @@ pub unsafe fn int1e_cache_size(envs: &CINTEnvVars) -> i32 { let i_prim: i32 = *bas .offset( (8 as i32 * *shls.offset(0 as isize) - + 2 as i32) as isize, + + 2) as isize, ); let mut j_prim: i32 = *bas .offset( (8 as i32 * *shls.offset(1 as isize) - + 2 as i32) as isize, + + 2) as isize, ); let x_ctr: *const i32 = (envs.x_ctr).as_ptr(); let nc: i32 = envs.nf * *x_ctr.offset(0 as isize) * *x_ctr.offset(1 as isize); let mut n_comp: i32 = envs.ncomp_e1 * envs.ncomp_tensor; - let mut leng: i32 = envs.g_size * 3 as i32 - * (((1 as i32) << envs.gbits) + 1 as i32); + let mut leng: i32 = envs.g_size * 3 + * (((1) << envs.gbits) + 1); let mut lenj: i32 = envs.nf * nc * n_comp; let mut leni: i32 = envs.nf * *x_ctr.offset(0 as isize) * n_comp; @@ -283,13 +283,13 @@ pub unsafe fn int1e_cache_size(envs: &CINTEnvVars) -> i32 { let mut pdata_size: i32 = i_prim * j_prim * 5 as i32 + i_prim * *x_ctr.offset(0 as isize) + j_prim * *x_ctr.offset(1 as isize) - + (i_prim + j_prim) * 2 as i32 + envs.nf * 3 as i32; + + (i_prim + j_prim) * 2 + envs.nf * 3; let mut cache_size: i32 = if nc * n_comp + leng + lenj + leni + len0 - + pdata_size > nc * n_comp + envs.nf * 8 as i32 * 2 as i32 + + pdata_size > nc * n_comp + envs.nf * 8 as i32 * 2 { nc * n_comp + leng + lenj + leni + len0 + pdata_size } else { - nc * n_comp + envs.nf * 8 as i32 * 2 as i32 + nc * n_comp + envs.nf * 8 as i32 * 2 }; return cache_size; } @@ -353,11 +353,11 @@ pub unsafe fn CINT1e_drv( ), ) { - counts[0 as i32 - as usize] = ((*envs).i_l * 2 as i32 + 1 as i32) + counts[0 + as usize] = ((*envs).i_l * 2 + 1) * *x_ctr.offset(0 as isize); - counts[1 as i32 - as usize] = ((*envs).j_l * 2 as i32 + 1 as i32) + counts[1 + as usize] = ((*envs).j_l * 2 + 1) * *x_ctr.offset(1 as isize); } else if f_c2s == ::core::mem::transmute::< @@ -384,18 +384,18 @@ pub unsafe fn CINT1e_drv( ), ) { - counts[0 as i32 + counts[0 as usize] = (*envs).nfi * *x_ctr.offset(0 as isize); - counts[1 as i32 + counts[1 as usize] = (*envs).nfj * *x_ctr.offset(1 as isize); } - counts[2 as usize] = 1 as i32; - counts[3 as usize] = 1 as i32; + counts[2 as usize] = 1; + counts[3 as usize] = 1; let mut nout: i32 = *dims.offset(0 as isize) * *dims.offset(1 as isize); let mut n: i32 = 0; if has_value != 0 { - n = 0 as i32; + n = 0; while n < n_comp { ::core::mem::transmute::< _, @@ -414,7 +414,7 @@ pub unsafe fn CINT1e_drv( n; } } else { - n = 0 as i32; + n = 0; while n < n_comp { c2s_dset0(out.offset((nout * n) as isize), dims, counts.as_mut_ptr()); n += 1; @@ -447,7 +447,7 @@ unsafe extern "C" fn make_g1e_gout( )(gout, g, idx, envs, empty); } 1 => { - CINTg1e_nuc(g, &*envs, -(1 as i32)); + CINTg1e_nuc(g, &*envs, -(1)); ::core::mem::transmute::< _, fn(_, _, _, _, _), @@ -457,7 +457,7 @@ unsafe extern "C" fn make_g1e_gout( )(gout, g, idx, envs, empty); } 2 => { - ia = 0 as i32; + ia = 0; while ia < (*envs).natm { CINTg1e_nuc(g, &*envs, ia); ::core::mem::transmute::< @@ -471,7 +471,7 @@ unsafe extern "C" fn make_g1e_gout( g, idx, envs, - (empty != 0 && ia == 0 as i32) as i32, + (empty != 0 && ia == 0) as i32, ); ia += 1; ia; @@ -495,11 +495,11 @@ pub unsafe fn CINTgout1e( let mut iy: i32 = 0; let mut iz: i32 = 0; if empty != 0 { - n = 0 as i32; + n = 0; while n < nf { - ix = *idx.offset((n * 3 as i32 + 0 as i32) as isize); - iy = *idx.offset((n * 3 as i32 + 1 as i32) as isize); - iz = *idx.offset((n * 3 as i32 + 2 as i32) as isize); + ix = *idx.offset((n * 3 + 0) as isize); + iy = *idx.offset((n * 3 + 1) as isize); + iz = *idx.offset((n * 3 + 2) as isize); *gout .offset( n as isize, @@ -509,11 +509,11 @@ pub unsafe fn CINTgout1e( n; } } else { - n = 0 as i32; + n = 0; while n < nf { - ix = *idx.offset((n * 3 as i32 + 0 as i32) as isize); - iy = *idx.offset((n * 3 as i32 + 1 as i32) as isize); - iz = *idx.offset((n * 3 as i32 + 2 as i32) as isize); + ix = *idx.offset((n * 3 + 0) as isize); + iy = *idx.offset((n * 3 + 1) as isize); + iz = *idx.offset((n * 3 + 2) as isize); *gout.offset(n as isize) += *g.offset(ix as isize) * *g.offset(iy as isize) * *g.offset(iz as isize); @@ -539,25 +539,25 @@ pub unsafe fn CINTgout1e_nuc( let mut gz: *mut f64 = 0 as *mut f64; let mut s: f64 = 0.; if empty != 0 { - n = 0 as i32; + n = 0; while n < nf { gx = g .offset( - *idx.offset((n * 3 as i32 + 0 as i32) as isize) + *idx.offset((n * 3 + 0) as isize) as isize, ); gy = g .offset( - *idx.offset((n * 3 as i32 + 1 as i32) as isize) + *idx.offset((n * 3 + 1) as isize) as isize, ); gz = g .offset( - *idx.offset((n * 3 as i32 + 2 as i32) as isize) + *idx.offset((n * 3 + 2) as isize) as isize, ); s = 0 as f64; - i = 0 as i32; + i = 0; while i < nrys_roots { s += *gx.offset(i as isize) * *gy.offset(i as isize) @@ -570,25 +570,25 @@ pub unsafe fn CINTgout1e_nuc( n; } } else { - n = 0 as i32; + n = 0; while n < nf { gx = g .offset( - *idx.offset((n * 3 as i32 + 0 as i32) as isize) + *idx.offset((n * 3 + 0) as isize) as isize, ); gy = g .offset( - *idx.offset((n * 3 as i32 + 1 as i32) as isize) + *idx.offset((n * 3 + 1) as isize) as isize, ); gz = g .offset( - *idx.offset((n * 3 as i32 + 2 as i32) as isize) + *idx.offset((n * 3 + 2) as isize) as isize, ); s = 0 as f64; - i = 0 as i32; + i = 0; while i < nrys_roots { s += *gx.offset(i as isize) * *gy.offset(i as isize) @@ -616,14 +616,14 @@ pub unsafe extern "C" fn int1e_ovlp_sph( cache: *mut f64, ) -> i32 { let ng: [i32; 8] = [ - 0 as i32, - 0 as i32, - 0 as i32, - 0 as i32, - 0 as i32, - 1 as i32, - 1 as i32, - 1 as i32, + 0, + 0, + 0, + 0, + 0, + 1, + 1, + 1, ]; let mut envs: CINTEnvVars = CINTEnvVars::new(); CINTinit_int1e_EnvVars(&mut envs, &ng, shls, atm, natm, bas, nbas, env); @@ -679,7 +679,7 @@ pub unsafe extern "C" fn int1e_ovlp_sph( ) -> (), ), ), - 0 as i32, + 0, ); } #[no_mangle] @@ -696,14 +696,14 @@ pub unsafe fn int1e_ovlp_cart( cache: *mut f64, ) -> i32 { let ng: [i32; 8] = [ - 0 as i32, - 0 as i32, - 0 as i32, - 0 as i32, - 0 as i32, - 1 as i32, - 1 as i32, - 1 as i32, + 0, + 0, + 0, + 0, + 0, + 1, + 1, + 1, ]; let mut envs: CINTEnvVars = CINTEnvVars::new(); CINTinit_int1e_EnvVars(&mut envs, &ng, shls, atm, natm, bas, nbas, env); @@ -759,7 +759,7 @@ pub unsafe fn int1e_ovlp_cart( ) -> (), ), ), - 0 as i32, + 0, ); } #[no_mangle] @@ -787,14 +787,14 @@ pub unsafe extern "C" fn int1e_nuc_sph( cache: *mut f64, ) -> i32 { let ng: [i32; 8] = [ - 0 as i32, - 0 as i32, - 0 as i32, - 0 as i32, - 0 as i32, - 1 as i32, - 0 as i32, - 1 as i32, + 0, + 0, + 0, + 0, + 0, + 1, + 0, + 1, ]; let mut envs: CINTEnvVars = CINTEnvVars::new(); CINTinit_int1e_EnvVars(&mut envs, &ng, shls, atm, natm, bas, nbas, env); @@ -850,7 +850,7 @@ pub unsafe extern "C" fn int1e_nuc_sph( ) -> (), ), ), - 2 as i32, + 2, ); } #[no_mangle] @@ -867,14 +867,14 @@ pub unsafe extern "C" fn int1e_nuc_cart( cache: *mut f64, ) -> i32 { let ng: [i32; 8] = [ - 0 as i32, - 0 as i32, - 0 as i32, - 0 as i32, - 0 as i32, - 1 as i32, - 0 as i32, - 1 as i32, + 0, + 0, + 0, + 0, + 0, + 1, + 0, + 1, ]; let mut envs: CINTEnvVars = CINTEnvVars::new(); CINTinit_int1e_EnvVars(&mut envs, &ng, shls, atm, natm, bas, nbas, env); @@ -930,7 +930,7 @@ pub unsafe extern "C" fn int1e_nuc_cart( ) -> (), ), ), - 2 as i32, + 2, ); } #[no_mangle] diff --git a/src/fblas.rs b/src/fblas.rs index 6a65bb1..542929f 100644 --- a/src/fblas.rs +++ b/src/fblas.rs @@ -2,7 +2,7 @@ #[no_mangle] pub unsafe extern "C" fn CINTdset0(mut n: i32, mut x: *mut f64) { let mut i: i32 = 0; - i = 0 as i32; + i = 0; while i < n { *x.offset(i as isize) = 0 as f64; i += 1; @@ -18,7 +18,7 @@ pub unsafe extern "C" fn CINTdaxpy2v( mut v: *mut f64, ) { let mut i: i32 = 0; - i = 0 as i32; + i = 0; while i < n { *v.offset(i as isize) = a * *x.offset(i as isize) + *y.offset(i as isize); i += 1; @@ -36,14 +36,14 @@ pub unsafe extern "C" fn CINTdmat_transpose( let mut i: i32 = 0; let mut j: i32 = 0; let _k: i32 = 0; - j = 0 as i32; + j = 0; while j < n - 3 as i32 { - i = 0 as i32; + i = 0; while i < m { *a_t .offset( - ((j + 0 as i32) * m + i) as isize, - ) = *a.offset((i * n + j + 0 as i32) as isize); + ((j + 0) * m + i) as isize, + ) = *a.offset((i * n + j + 0) as isize); *a_t .offset( ((j + 1 as i32) * m + i) as isize, @@ -63,7 +63,7 @@ pub unsafe extern "C" fn CINTdmat_transpose( } match n - j { 1 => { - i = 0 as i32; + i = 0; while i < m { *a_t.offset((j * m + i) as isize) = *a.offset((i * n + j) as isize); i += 1; @@ -71,12 +71,12 @@ pub unsafe extern "C" fn CINTdmat_transpose( } } 2 => { - i = 0 as i32; + i = 0; while i < m { *a_t .offset( - ((j + 0 as i32) * m + i) as isize, - ) = *a.offset((i * n + j + 0 as i32) as isize); + ((j + 0) * m + i) as isize, + ) = *a.offset((i * n + j + 0) as isize); *a_t .offset( ((j + 1 as i32) * m + i) as isize, @@ -86,12 +86,12 @@ pub unsafe extern "C" fn CINTdmat_transpose( } } 3 => { - i = 0 as i32; + i = 0; while i < m { *a_t .offset( - ((j + 0 as i32) * m + i) as isize, - ) = *a.offset((i * n + j + 0 as i32) as isize); + ((j + 0) * m + i) as isize, + ) = *a.offset((i * n + j + 0) as isize); *a_t .offset( ((j + 1 as i32) * m + i) as isize, @@ -117,12 +117,12 @@ pub unsafe extern "C" fn CINTdplus_transpose( let mut i: i32 = 0; let mut j: i32 = 0; let _k: i32 = 0; - j = 0 as i32; + j = 0; while j < n - 3 as i32 { - i = 0 as i32; + i = 0; while i < m { - *a_t.offset(((j + 0 as i32) * m + i) as isize) - += *a.offset((i * n + j + 0 as i32) as isize); + *a_t.offset(((j + 0) * m + i) as isize) + += *a.offset((i * n + j + 0) as isize); *a_t.offset(((j + 1 as i32) * m + i) as isize) += *a.offset((i * n + j + 1 as i32) as isize); *a_t.offset(((j + 2 as i32) * m + i) as isize) @@ -136,7 +136,7 @@ pub unsafe extern "C" fn CINTdplus_transpose( } match n - j { 1 => { - i = 0 as i32; + i = 0; while i < m { *a_t.offset((j * m + i) as isize) += *a.offset((i * n + j) as isize); i += 1; @@ -144,10 +144,10 @@ pub unsafe extern "C" fn CINTdplus_transpose( } } 2 => { - i = 0 as i32; + i = 0; while i < m { - *a_t.offset(((j + 0 as i32) * m + i) as isize) - += *a.offset((i * n + j + 0 as i32) as isize); + *a_t.offset(((j + 0) * m + i) as isize) + += *a.offset((i * n + j + 0) as isize); *a_t.offset(((j + 1 as i32) * m + i) as isize) += *a.offset((i * n + j + 1 as i32) as isize); i += 1; @@ -155,10 +155,10 @@ pub unsafe extern "C" fn CINTdplus_transpose( } } 3 => { - i = 0 as i32; + i = 0; while i < m { - *a_t.offset(((j + 0 as i32) * m + i) as isize) - += *a.offset((i * n + j + 0 as i32) as isize); + *a_t.offset(((j + 0) * m + i) as isize) + += *a.offset((i * n + j + 0) as isize); *a_t.offset(((j + 1 as i32) * m + i) as isize) += *a.offset((i * n + j + 1 as i32) as isize); *a_t.offset(((j + 2 as i32) * m + i) as isize) @@ -184,18 +184,18 @@ pub unsafe extern "C" fn CINTdgemm_NN1( let mut j: i32 = 0; let mut kp: i32 = 0; let mut bi: f64 = 0.; - j = 0 as i32; + j = 0; while j < n { - i = 0 as i32; + i = 0; while i < m { *c.offset((i + ldc * j) as isize) = 0 as f64; i += 1; i; } - kp = 0 as i32; + kp = 0; while kp < k { bi = *b.offset((kp + k * j) as isize); - i = 0 as i32; + i = 0; while i < m { *c.offset((i + ldc * j) as isize) += *a.offset((i + m * kp) as isize) * bi; @@ -233,12 +233,12 @@ pub unsafe extern "C" fn CINTdgemm_TN( let mut j: i32 = 0; let mut kp: i32 = 0; let mut ci: f64 = 0.; - j = 0 as i32; + j = 0; while j < n { - i = 0 as i32; + i = 0; while i < m { ci = 0 as f64; - kp = 0 as i32; + kp = 0; while kp < k { ci += *a.offset((kp + k * i) as isize) @@ -267,18 +267,18 @@ pub unsafe extern "C" fn CINTdgemm_NT( let mut j: i32 = 0; let mut kp: i32 = 0; let mut bi: f64 = 0.; - j = 0 as i32; + j = 0; while j < n { - i = 0 as i32; + i = 0; while i < m { *c.offset((i + m * j) as isize) = 0 as f64; i += 1; i; } - kp = 0 as i32; + kp = 0; while kp < k { bi = *b.offset((j + n * kp) as isize); - i = 0 as i32; + i = 0; while i < m { *c.offset((i + m * j) as isize) += *a.offset((i + m * kp) as isize) * bi; i += 1; From f0c1bc0dc9374e6fb217975c956f42969ec26e0a Mon Sep 17 00:00:00 2001 From: Manuel Drehwald Date: Fri, 20 Mar 2026 22:43:37 -0400 Subject: [PATCH 34/37] running cargo fmt, remove more literal int casts --- src/cart2sph.rs | 2225 ++------ src/cint.rs | 134 +- src/cint1e.rs | 609 +- src/cint2e.rs | 2284 +++----- src/cint_bas.rs | 172 +- src/eigh.rs | 351 +- src/fblas.rs | 108 +- src/find_roots.rs | 148 +- src/fmt.rs | 120 +- src/g1e.rs | 510 +- src/g2e.rs | 13336 ++++++++++--------------------------------- src/intor1.rs | 246 +- src/linalg.rs | 36 +- src/optimizer.rs | 430 +- src/rys_roots.rs | 4178 ++++++++++---- src/rys_wheeler.rs | 2595 ++------- src/scf.rs | 280 +- src/utils.rs | 30 +- 18 files changed, 8659 insertions(+), 19133 deletions(-) diff --git a/src/cart2sph.rs b/src/cart2sph.rs index 2da516a..e383167 100644 --- a/src/cart2sph.rs +++ b/src/cart2sph.rs @@ -1,7 +1,15 @@ -#![allow(dead_code, mutable_transmutes, non_camel_case_types, non_snake_case, non_upper_case_globals, unused_assignments, unused_mut)] +#![allow( + dead_code, + mutable_transmutes, + non_camel_case_types, + non_snake_case, + non_upper_case_globals, + unused_assignments, + unused_mut +)] -use crate::fblas::CINTdgemm_TN; use crate::fblas::CINTdgemm_NN1; +use crate::fblas::CINTdgemm_TN; // use crate::fblas::CINTdgemm_NT; use crate::cint::CINTEnvVars; @@ -88358,35 +88366,17 @@ static mut g_trans_cart2jI: [f64; 34580] = [ 0 as f64, 0 as f64, ]; -unsafe extern "C" fn _len_spinor( - mut kappa: i32, - mut l: i32, -) -> i32 { - if 0 as i32 == kappa { - return 4 as i32 * l + 2 as i32 - } else if kappa < 0 as i32 { - return 2 as i32 * l + 2 as i32 +unsafe extern "C" fn _len_spinor(mut kappa: i32, mut l: i32) -> i32 { + if 0 == kappa { + return 4 as i32 * l + 2; + } else if kappa < 0 { + return 2 * l + 2; } else { - return 2 as i32 * l + return 2 * l; }; } static mut _len_cart: [i32; 16] = [ - 1, - 3, - 6, - 10, - 15, - 21, - 28, - 36, - 45, - 55, - 66, - 78, - 91, - 105, - 120, - 136, + 1, 3, 6, 10, 15, 21, 28, 36, 45, 55, 66, 78, 91, 105, 120, 136, ]; static mut g_c2s: [cart2sp_t; 16] = [cart2sp_t { cart2sph: 0 as *mut f64, @@ -88402,7 +88392,7 @@ unsafe extern "C" fn a_bra_cart2spheric( mut l: i32, ) -> *mut f64 { let mut nf: i32 = _len_cart[l as usize]; - let mut nd: i32 = l * 2 as i32 + 1 as i32; + let mut nd: i32 = l * 2 + 1; CINTdgemm_TN(nd, nket, nf, g_c2s[l as usize].cart2sph, gcart, gsph); return gsph; } @@ -88414,7 +88404,7 @@ unsafe extern "C" fn a_ket_cart2spheric( mut l: i32, ) -> *mut f64 { let mut nf: i32 = _len_cart[l as usize]; - let mut nd: i32 = l * 2 as i32 + 1 as i32; + let mut nd: i32 = l * 2 + 1; CINTdgemm_NN1(nbra, nd, nf, gcart, g_c2s[l as usize].cart2sph, gsph, lds); return gsph; } @@ -88443,7 +88433,7 @@ unsafe extern "C" fn s_ket_cart2spheric_copy( _l: i32, ) -> *mut f64 { let mut i: i32 = 0; - i = 0 as i32; + i = 0; while i < nbra { *gsph.offset(i as isize) = *gcart.offset(i as isize); i += 1; @@ -88476,20 +88466,11 @@ unsafe extern "C" fn p_ket_cart2spheric_copy( _l: i32, ) -> *mut f64 { let mut i: i32 = 0; - i = 0 as i32; + i = 0; while i < nbra { - *gsph - .offset( - (0 as i32 * lds + i) as isize, - ) = *gcart.offset((0 as i32 * nbra + i) as isize); - *gsph - .offset( - (1 as i32 * lds + i) as isize, - ) = *gcart.offset((1 as i32 * nbra + i) as isize); - *gsph - .offset( - (2 as i32 * lds + i) as isize, - ) = *gcart.offset((2 as i32 * nbra + i) as isize); + *gsph.offset((0 * lds + i) as isize) = *gcart.offset((0 * nbra + i) as isize); + *gsph.offset((1 * lds + i) as isize) = *gcart.offset((1 * nbra + i) as isize); + *gsph.offset((2 * lds + i) as isize) = *gcart.offset((2 * nbra + i) as isize); i += 1; i; } @@ -88504,39 +88485,16 @@ unsafe extern "C" fn d_bra_cart2spheric( let mut coeff_c2s: *mut f64 = g_c2s[2 as usize].cart2sph; let mut pgsph: *mut f64 = gsph; let mut i: i32 = 0; - i = 0 as i32; + i = 0; while i < nket { - *gsph - .offset( - 0 as isize, - ) = *coeff_c2s.offset(1 as isize) - * *gcart.offset(1 as isize); - *gsph - .offset( - 1 as isize, - ) = *coeff_c2s.offset(10 as isize) - * *gcart.offset(4 as isize); - *gsph - .offset( - 2 as isize, - ) = *coeff_c2s.offset(12 as isize) - * *gcart.offset(0 as isize) - + *coeff_c2s.offset(15 as isize) - * *gcart.offset(3 as isize) - + *coeff_c2s.offset(17 as isize) - * *gcart.offset(5 as isize); - *gsph - .offset( - 3 as isize, - ) = *coeff_c2s.offset(20 as isize) - * *gcart.offset(2 as isize); - *gsph - .offset( - 4 as isize, - ) = *coeff_c2s.offset(24 as isize) - * *gcart.offset(0 as isize) - + *coeff_c2s.offset(27 as isize) - * *gcart.offset(3 as isize); + *gsph.offset(0 as isize) = *coeff_c2s.offset(1 as isize) * *gcart.offset(1 as isize); + *gsph.offset(1 as isize) = *coeff_c2s.offset(10 as isize) * *gcart.offset(4 as isize); + *gsph.offset(2 as isize) = *coeff_c2s.offset(12 as isize) * *gcart.offset(0 as isize) + + *coeff_c2s.offset(15 as isize) * *gcart.offset(3 as isize) + + *coeff_c2s.offset(17 as isize) * *gcart.offset(5 as isize); + *gsph.offset(3 as isize) = *coeff_c2s.offset(20 as isize) * *gcart.offset(2 as isize); + *gsph.offset(4 as isize) = *coeff_c2s.offset(24 as isize) * *gcart.offset(0 as isize) + + *coeff_c2s.offset(27 as isize) * *gcart.offset(3 as isize); gsph = gsph.offset(5 as isize); gcart = gcart.offset(6 as isize); i += 1; @@ -88554,59 +88512,41 @@ unsafe extern "C" fn d_ket_cart2spheric( let mut coeff_c2s: *mut f64 = g_c2s[2 as usize].cart2sph; let mut pgsph: *mut f64 = gsph; let mut i: i32 = 0; - i = 0 as i32; + i = 0; while i < nbra { - *gsph - .offset( - (0 as i32 * lds + i) as isize, - ) = *coeff_c2s.offset(1 as isize) - * *gcart.offset((1 as i32 * nbra + i) as isize); + *gsph.offset((0 * lds + i) as isize) = + *coeff_c2s.offset(1 as isize) * *gcart.offset((1 * nbra + i) as isize); i += 1; i; } - i = 0 as i32; + i = 0; while i < nbra { - *gsph - .offset( - (1 as i32 * lds + i) as isize, - ) = *coeff_c2s.offset(10 as isize) - * *gcart.offset((4 as i32 * nbra + i) as isize); + *gsph.offset((1 * lds + i) as isize) = + *coeff_c2s.offset(10 as isize) * *gcart.offset((4 as i32 * nbra + i) as isize); i += 1; i; } - i = 0 as i32; + i = 0; while i < nbra { - *gsph - .offset( - (2 as i32 * lds + i) as isize, - ) = *coeff_c2s.offset(12 as isize) - * *gcart.offset((0 as i32 * nbra + i) as isize) - + *coeff_c2s.offset(15 as isize) - * *gcart.offset((3 as i32 * nbra + i) as isize) - + *coeff_c2s.offset(17 as isize) - * *gcart.offset((5 as i32 * nbra + i) as isize); + *gsph.offset((2 * lds + i) as isize) = *coeff_c2s.offset(12 as isize) + * *gcart.offset((0 * nbra + i) as isize) + + *coeff_c2s.offset(15 as isize) * *gcart.offset((3 * nbra + i) as isize) + + *coeff_c2s.offset(17 as isize) * *gcart.offset((5 as i32 * nbra + i) as isize); i += 1; i; } - i = 0 as i32; + i = 0; while i < nbra { - *gsph - .offset( - (3 as i32 * lds + i) as isize, - ) = *coeff_c2s.offset(20 as isize) - * *gcart.offset((2 as i32 * nbra + i) as isize); + *gsph.offset((3 * lds + i) as isize) = + *coeff_c2s.offset(20 as isize) * *gcart.offset((2 * nbra + i) as isize); i += 1; i; } - i = 0 as i32; + i = 0; while i < nbra { - *gsph - .offset( - (4 as i32 * lds + i) as isize, - ) = *coeff_c2s.offset(24 as isize) - * *gcart.offset((0 as i32 * nbra + i) as isize) - + *coeff_c2s.offset(27 as isize) - * *gcart.offset((3 as i32 * nbra + i) as isize); + *gsph.offset((4 as i32 * lds + i) as isize) = *coeff_c2s.offset(24 as isize) + * *gcart.offset((0 * nbra + i) as isize) + + *coeff_c2s.offset(27 as isize) * *gcart.offset((3 * nbra + i) as isize); i += 1; i; } @@ -88621,61 +88561,24 @@ unsafe extern "C" fn f_bra_cart2spheric( let mut coeff_c2s: *mut f64 = g_c2s[3 as usize].cart2sph; let mut pgsph: *mut f64 = gsph; let mut i: i32 = 0; - i = 0 as i32; + i = 0; while i < nket { - *gsph - .offset( - 0 as isize, - ) = *coeff_c2s.offset(1 as isize) - * *gcart.offset(1 as isize) - + *coeff_c2s.offset(6 as isize) - * *gcart.offset(6 as isize); - *gsph - .offset( - 1 as isize, - ) = *coeff_c2s.offset(14 as isize) - * *gcart.offset(4 as isize); - *gsph - .offset( - 2 as isize, - ) = *coeff_c2s.offset(21 as isize) - * *gcart.offset(1 as isize) - + *coeff_c2s.offset(26 as isize) - * *gcart.offset(6 as isize) - + *coeff_c2s.offset(28 as isize) - * *gcart.offset(8 as isize); - *gsph - .offset( - 3 as isize, - ) = *coeff_c2s.offset(32 as isize) - * *gcart.offset(2 as isize) - + *coeff_c2s.offset(37 as isize) - * *gcart.offset(7 as isize) - + *coeff_c2s.offset(39 as isize) - * *gcart.offset(9 as isize); - *gsph - .offset( - 4 as isize, - ) = *coeff_c2s.offset(40 as isize) - * *gcart.offset(0 as isize) - + *coeff_c2s.offset(43 as isize) - * *gcart.offset(3 as isize) - + *coeff_c2s.offset(45 as isize) - * *gcart.offset(5 as isize); - *gsph - .offset( - 5 as isize, - ) = *coeff_c2s.offset(52 as isize) - * *gcart.offset(2 as isize) - + *coeff_c2s.offset(57 as isize) - * *gcart.offset(7 as isize); - *gsph - .offset( - 6 as isize, - ) = *coeff_c2s.offset(60 as isize) - * *gcart.offset(0 as isize) - + *coeff_c2s.offset(63 as isize) - * *gcart.offset(3 as isize); + *gsph.offset(0 as isize) = *coeff_c2s.offset(1 as isize) * *gcart.offset(1 as isize) + + *coeff_c2s.offset(6 as isize) * *gcart.offset(6 as isize); + *gsph.offset(1 as isize) = *coeff_c2s.offset(14 as isize) * *gcart.offset(4 as isize); + *gsph.offset(2 as isize) = *coeff_c2s.offset(21 as isize) * *gcart.offset(1 as isize) + + *coeff_c2s.offset(26 as isize) * *gcart.offset(6 as isize) + + *coeff_c2s.offset(28 as isize) * *gcart.offset(8 as isize); + *gsph.offset(3 as isize) = *coeff_c2s.offset(32 as isize) * *gcart.offset(2 as isize) + + *coeff_c2s.offset(37 as isize) * *gcart.offset(7 as isize) + + *coeff_c2s.offset(39 as isize) * *gcart.offset(9 as isize); + *gsph.offset(4 as isize) = *coeff_c2s.offset(40 as isize) * *gcart.offset(0 as isize) + + *coeff_c2s.offset(43 as isize) * *gcart.offset(3 as isize) + + *coeff_c2s.offset(45 as isize) * *gcart.offset(5 as isize); + *gsph.offset(5 as isize) = *coeff_c2s.offset(52 as isize) * *gcart.offset(2 as isize) + + *coeff_c2s.offset(57 as isize) * *gcart.offset(7 as isize); + *gsph.offset(6 as isize) = *coeff_c2s.offset(60 as isize) * *gcart.offset(0 as isize) + + *coeff_c2s.offset(63 as isize) * *gcart.offset(3 as isize); gsph = gsph.offset(7 as isize); gcart = gcart.offset(10 as isize); i += 1; @@ -88693,91 +88596,61 @@ unsafe extern "C" fn f_ket_cart2spheric( let mut coeff_c2s: *mut f64 = g_c2s[3 as usize].cart2sph; let mut pgsph: *mut f64 = gsph; let mut i: i32 = 0; - i = 0 as i32; + i = 0; while i < nbra { - *gsph - .offset( - (0 as i32 * lds + i) as isize, - ) = *coeff_c2s.offset(1 as isize) - * *gcart.offset((1 as i32 * nbra + i) as isize) - + *coeff_c2s.offset(6 as isize) - * *gcart.offset((6 as i32 * nbra + i) as isize); + *gsph.offset((0 * lds + i) as isize) = *coeff_c2s.offset(1 as isize) + * *gcart.offset((1 * nbra + i) as isize) + + *coeff_c2s.offset(6 as isize) * *gcart.offset((6 as i32 * nbra + i) as isize); i += 1; i; } - i = 0 as i32; + i = 0; while i < nbra { - *gsph - .offset( - (1 as i32 * lds + i) as isize, - ) = *coeff_c2s.offset(14 as isize) - * *gcart.offset((4 as i32 * nbra + i) as isize); + *gsph.offset((1 * lds + i) as isize) = + *coeff_c2s.offset(14 as isize) * *gcart.offset((4 as i32 * nbra + i) as isize); i += 1; i; } - i = 0 as i32; + i = 0; while i < nbra { - *gsph - .offset( - (2 as i32 * lds + i) as isize, - ) = *coeff_c2s.offset(21 as isize) - * *gcart.offset((1 as i32 * nbra + i) as isize) - + *coeff_c2s.offset(26 as isize) - * *gcart.offset((6 as i32 * nbra + i) as isize) - + *coeff_c2s.offset(28 as isize) - * *gcart.offset((8 as i32 * nbra + i) as isize); + *gsph.offset((2 * lds + i) as isize) = *coeff_c2s.offset(21 as isize) + * *gcart.offset((1 * nbra + i) as isize) + + *coeff_c2s.offset(26 as isize) * *gcart.offset((6 as i32 * nbra + i) as isize) + + *coeff_c2s.offset(28 as isize) * *gcart.offset((8 as i32 * nbra + i) as isize); i += 1; i; } - i = 0 as i32; + i = 0; while i < nbra { - *gsph - .offset( - (3 as i32 * lds + i) as isize, - ) = *coeff_c2s.offset(32 as isize) - * *gcart.offset((2 as i32 * nbra + i) as isize) - + *coeff_c2s.offset(37 as isize) - * *gcart.offset((7 as i32 * nbra + i) as isize) - + *coeff_c2s.offset(39 as isize) - * *gcart.offset((9 as i32 * nbra + i) as isize); + *gsph.offset((3 * lds + i) as isize) = *coeff_c2s.offset(32 as isize) + * *gcart.offset((2 * nbra + i) as isize) + + *coeff_c2s.offset(37 as isize) * *gcart.offset((7 as i32 * nbra + i) as isize) + + *coeff_c2s.offset(39 as isize) * *gcart.offset((9 as i32 * nbra + i) as isize); i += 1; i; } - i = 0 as i32; + i = 0; while i < nbra { - *gsph - .offset( - (4 as i32 * lds + i) as isize, - ) = *coeff_c2s.offset(40 as isize) - * *gcart.offset((0 as i32 * nbra + i) as isize) - + *coeff_c2s.offset(43 as isize) - * *gcart.offset((3 as i32 * nbra + i) as isize) - + *coeff_c2s.offset(45 as isize) - * *gcart.offset((5 as i32 * nbra + i) as isize); + *gsph.offset((4 as i32 * lds + i) as isize) = *coeff_c2s.offset(40 as isize) + * *gcart.offset((0 * nbra + i) as isize) + + *coeff_c2s.offset(43 as isize) * *gcart.offset((3 * nbra + i) as isize) + + *coeff_c2s.offset(45 as isize) * *gcart.offset((5 as i32 * nbra + i) as isize); i += 1; i; } - i = 0 as i32; + i = 0; while i < nbra { - *gsph - .offset( - (5 as i32 * lds + i) as isize, - ) = *coeff_c2s.offset(52 as isize) - * *gcart.offset((2 as i32 * nbra + i) as isize) - + *coeff_c2s.offset(57 as isize) - * *gcart.offset((7 as i32 * nbra + i) as isize); + *gsph.offset((5 as i32 * lds + i) as isize) = *coeff_c2s.offset(52 as isize) + * *gcart.offset((2 * nbra + i) as isize) + + *coeff_c2s.offset(57 as isize) * *gcart.offset((7 as i32 * nbra + i) as isize); i += 1; i; } - i = 0 as i32; + i = 0; while i < nbra { - *gsph - .offset( - (6 as i32 * lds + i) as isize, - ) = *coeff_c2s.offset(60 as isize) - * *gcart.offset((0 as i32 * nbra + i) as isize) - + *coeff_c2s.offset(63 as isize) - * *gcart.offset((3 as i32 * nbra + i) as isize); + *gsph.offset((6 as i32 * lds + i) as isize) = *coeff_c2s.offset(60 as isize) + * *gcart.offset((0 * nbra + i) as isize) + + *coeff_c2s.offset(63 as isize) * *gcart.offset((3 * nbra + i) as isize); i += 1; i; } @@ -88792,91 +88665,36 @@ unsafe extern "C" fn g_bra_cart2spheric( let mut coeff_c2s: *mut f64 = g_c2s[4 as usize].cart2sph; let mut pgsph: *mut f64 = gsph; let mut i: i32 = 0; - i = 0 as i32; + i = 0; while i < nket { - *gsph - .offset( - 0 as isize, - ) = *coeff_c2s.offset(1 as isize) - * *gcart.offset(1 as isize) - + *coeff_c2s.offset(6 as isize) - * *gcart.offset(6 as isize); - *gsph - .offset( - 1 as isize, - ) = *coeff_c2s.offset(19 as isize) - * *gcart.offset(4 as isize) - + *coeff_c2s.offset(26 as isize) - * *gcart.offset(11 as isize); - *gsph - .offset( - 2 as isize, - ) = *coeff_c2s.offset(31 as isize) - * *gcart.offset(1 as isize) - + *coeff_c2s.offset(36 as isize) - * *gcart.offset(6 as isize) - + *coeff_c2s.offset(38 as isize) - * *gcart.offset(8 as isize); - *gsph - .offset( - 3 as isize, - ) = *coeff_c2s.offset(49 as isize) - * *gcart.offset(4 as isize) - + *coeff_c2s.offset(56 as isize) - * *gcart.offset(11 as isize) - + *coeff_c2s.offset(58 as isize) - * *gcart.offset(13 as isize); - *gsph - .offset( - 4 as isize, - ) = *coeff_c2s.offset(60 as isize) - * *gcart.offset(0 as isize) - + *coeff_c2s.offset(63 as isize) - * *gcart.offset(3 as isize) - + *coeff_c2s.offset(65 as isize) - * *gcart.offset(5 as isize) - + *coeff_c2s.offset(70 as isize) - * *gcart.offset(10 as isize) - + *coeff_c2s.offset(72 as isize) - * *gcart.offset(12 as isize) - + *coeff_c2s.offset(74 as isize) - * *gcart.offset(14 as isize); - *gsph - .offset( - 5 as isize, - ) = *coeff_c2s.offset(77 as isize) - * *gcart.offset(2 as isize) - + *coeff_c2s.offset(82 as isize) - * *gcart.offset(7 as isize) - + *coeff_c2s.offset(84 as isize) - * *gcart.offset(9 as isize); - *gsph - .offset( - 6 as isize, - ) = *coeff_c2s.offset(90 as isize) - * *gcart.offset(0 as isize) - + *coeff_c2s.offset(95 as isize) - * *gcart.offset(5 as isize) - + *coeff_c2s.offset(100 as isize) - * *gcart.offset(10 as isize) - + *coeff_c2s.offset(102 as isize) - * *gcart.offset(12 as isize); - *gsph - .offset( - 7 as isize, - ) = *coeff_c2s.offset(107 as isize) - * *gcart.offset(2 as isize) - + *coeff_c2s.offset(112 as isize) - * *gcart.offset(7 as isize); - *gsph - .offset( - 8 as isize, - ) = *coeff_c2s.offset(120 as isize) - * *gcart.offset(0 as isize) - + *coeff_c2s.offset(123 as isize) - * *gcart.offset(3 as isize) - + *coeff_c2s.offset(130 as isize) - * *gcart.offset(10 as isize); + *gsph.offset(0 as isize) = *coeff_c2s.offset(1 as isize) * *gcart.offset(1 as isize) + + *coeff_c2s.offset(6 as isize) * *gcart.offset(6 as isize); + *gsph.offset(1 as isize) = *coeff_c2s.offset(19 as isize) * *gcart.offset(4 as isize) + + *coeff_c2s.offset(26 as isize) * *gcart.offset(11 as isize); + *gsph.offset(2 as isize) = *coeff_c2s.offset(31 as isize) * *gcart.offset(1 as isize) + + *coeff_c2s.offset(36 as isize) * *gcart.offset(6 as isize) + + *coeff_c2s.offset(38 as isize) * *gcart.offset(8 as isize); + *gsph.offset(3 as isize) = *coeff_c2s.offset(49 as isize) * *gcart.offset(4 as isize) + + *coeff_c2s.offset(56 as isize) * *gcart.offset(11 as isize) + + *coeff_c2s.offset(58 as isize) * *gcart.offset(13 as isize); + *gsph.offset(4 as isize) = *coeff_c2s.offset(60 as isize) * *gcart.offset(0 as isize) + + *coeff_c2s.offset(63 as isize) * *gcart.offset(3 as isize) + + *coeff_c2s.offset(65 as isize) * *gcart.offset(5 as isize) + + *coeff_c2s.offset(70 as isize) * *gcart.offset(10 as isize) + + *coeff_c2s.offset(72 as isize) * *gcart.offset(12 as isize) + + *coeff_c2s.offset(74 as isize) * *gcart.offset(14 as isize); + *gsph.offset(5 as isize) = *coeff_c2s.offset(77 as isize) * *gcart.offset(2 as isize) + + *coeff_c2s.offset(82 as isize) * *gcart.offset(7 as isize) + + *coeff_c2s.offset(84 as isize) * *gcart.offset(9 as isize); + *gsph.offset(6 as isize) = *coeff_c2s.offset(90 as isize) * *gcart.offset(0 as isize) + + *coeff_c2s.offset(95 as isize) * *gcart.offset(5 as isize) + + *coeff_c2s.offset(100 as isize) * *gcart.offset(10 as isize) + + *coeff_c2s.offset(102 as isize) * *gcart.offset(12 as isize); + *gsph.offset(7 as isize) = *coeff_c2s.offset(107 as isize) * *gcart.offset(2 as isize) + + *coeff_c2s.offset(112 as isize) * *gcart.offset(7 as isize); + *gsph.offset(8 as isize) = *coeff_c2s.offset(120 as isize) * *gcart.offset(0 as isize) + + *coeff_c2s.offset(123 as isize) * *gcart.offset(3 as isize) + + *coeff_c2s.offset(130 as isize) * *gcart.offset(10 as isize); gsph = gsph.offset(9 as isize); gcart = gcart.offset(15 as isize); i += 1; @@ -88894,822 +88712,330 @@ unsafe extern "C" fn g_ket_cart2spheric( let mut coeff_c2s: *mut f64 = g_c2s[4 as usize].cart2sph; let mut pgsph: *mut f64 = gsph; let mut i: i32 = 0; - i = 0 as i32; + i = 0; while i < nbra { - *gsph - .offset( - (0 as i32 * lds + i) as isize, - ) = *coeff_c2s.offset(1 as isize) - * *gcart.offset((1 as i32 * nbra + i) as isize) - + *coeff_c2s.offset(6 as isize) - * *gcart.offset((6 as i32 * nbra + i) as isize); + *gsph.offset((0 * lds + i) as isize) = *coeff_c2s.offset(1 as isize) + * *gcart.offset((1 * nbra + i) as isize) + + *coeff_c2s.offset(6 as isize) * *gcart.offset((6 as i32 * nbra + i) as isize); i += 1; i; } - i = 0 as i32; + i = 0; while i < nbra { - *gsph - .offset( - (1 as i32 * lds + i) as isize, - ) = *coeff_c2s.offset(19 as isize) + *gsph.offset((1 * lds + i) as isize) = *coeff_c2s.offset(19 as isize) * *gcart.offset((4 as i32 * nbra + i) as isize) - + *coeff_c2s.offset(26 as isize) - * *gcart.offset((11 as i32 * nbra + i) as isize); + + *coeff_c2s.offset(26 as isize) * *gcart.offset((11 * nbra + i) as isize); i += 1; i; } - i = 0 as i32; + i = 0; while i < nbra { - *gsph - .offset( - (2 as i32 * lds + i) as isize, - ) = *coeff_c2s.offset(31 as isize) - * *gcart.offset((1 as i32 * nbra + i) as isize) - + *coeff_c2s.offset(36 as isize) - * *gcart.offset((6 as i32 * nbra + i) as isize) - + *coeff_c2s.offset(38 as isize) - * *gcart.offset((8 as i32 * nbra + i) as isize); + *gsph.offset((2 * lds + i) as isize) = *coeff_c2s.offset(31 as isize) + * *gcart.offset((1 * nbra + i) as isize) + + *coeff_c2s.offset(36 as isize) * *gcart.offset((6 as i32 * nbra + i) as isize) + + *coeff_c2s.offset(38 as isize) * *gcart.offset((8 as i32 * nbra + i) as isize); i += 1; i; } - i = 0 as i32; + i = 0; while i < nbra { - *gsph - .offset( - (3 as i32 * lds + i) as isize, - ) = *coeff_c2s.offset(49 as isize) + *gsph.offset((3 * lds + i) as isize) = *coeff_c2s.offset(49 as isize) * *gcart.offset((4 as i32 * nbra + i) as isize) - + *coeff_c2s.offset(56 as isize) - * *gcart.offset((11 as i32 * nbra + i) as isize) - + *coeff_c2s.offset(58 as isize) - * *gcart.offset((13 as i32 * nbra + i) as isize); + + *coeff_c2s.offset(56 as isize) * *gcart.offset((11 * nbra + i) as isize) + + *coeff_c2s.offset(58 as isize) * *gcart.offset((13 * nbra + i) as isize); i += 1; i; } - i = 0 as i32; + i = 0; while i < nbra { - *gsph - .offset( - (4 as i32 * lds + i) as isize, - ) = *coeff_c2s.offset(60 as isize) - * *gcart.offset((0 as i32 * nbra + i) as isize) - + *coeff_c2s.offset(63 as isize) - * *gcart.offset((3 as i32 * nbra + i) as isize) - + *coeff_c2s.offset(65 as isize) - * *gcart.offset((5 as i32 * nbra + i) as isize) - + *coeff_c2s.offset(70 as isize) - * *gcart.offset((10 as i32 * nbra + i) as isize) - + *coeff_c2s.offset(72 as isize) - * *gcart.offset((12 as i32 * nbra + i) as isize) - + *coeff_c2s.offset(74 as isize) - * *gcart.offset((14 as i32 * nbra + i) as isize); + *gsph.offset((4 as i32 * lds + i) as isize) = *coeff_c2s.offset(60 as isize) + * *gcart.offset((0 * nbra + i) as isize) + + *coeff_c2s.offset(63 as isize) * *gcart.offset((3 * nbra + i) as isize) + + *coeff_c2s.offset(65 as isize) * *gcart.offset((5 as i32 * nbra + i) as isize) + + *coeff_c2s.offset(70 as isize) * *gcart.offset((10 * nbra + i) as isize) + + *coeff_c2s.offset(72 as isize) * *gcart.offset((12 * nbra + i) as isize) + + *coeff_c2s.offset(74 as isize) * *gcart.offset((14 as i32 * nbra + i) as isize); i += 1; i; } - i = 0 as i32; + i = 0; while i < nbra { - *gsph - .offset( - (5 as i32 * lds + i) as isize, - ) = *coeff_c2s.offset(77 as isize) - * *gcart.offset((2 as i32 * nbra + i) as isize) - + *coeff_c2s.offset(82 as isize) - * *gcart.offset((7 as i32 * nbra + i) as isize) - + *coeff_c2s.offset(84 as isize) - * *gcart.offset((9 as i32 * nbra + i) as isize); + *gsph.offset((5 as i32 * lds + i) as isize) = *coeff_c2s.offset(77 as isize) + * *gcart.offset((2 * nbra + i) as isize) + + *coeff_c2s.offset(82 as isize) * *gcart.offset((7 as i32 * nbra + i) as isize) + + *coeff_c2s.offset(84 as isize) * *gcart.offset((9 as i32 * nbra + i) as isize); i += 1; i; } - i = 0 as i32; + i = 0; while i < nbra { - *gsph - .offset( - (6 as i32 * lds + i) as isize, - ) = *coeff_c2s.offset(90 as isize) - * *gcart.offset((0 as i32 * nbra + i) as isize) - + *coeff_c2s.offset(95 as isize) - * *gcart.offset((5 as i32 * nbra + i) as isize) - + *coeff_c2s.offset(100 as isize) - * *gcart.offset((10 as i32 * nbra + i) as isize) - + *coeff_c2s.offset(102 as isize) - * *gcart.offset((12 as i32 * nbra + i) as isize); + *gsph.offset((6 as i32 * lds + i) as isize) = *coeff_c2s.offset(90 as isize) + * *gcart.offset((0 * nbra + i) as isize) + + *coeff_c2s.offset(95 as isize) * *gcart.offset((5 as i32 * nbra + i) as isize) + + *coeff_c2s.offset(100 as isize) * *gcart.offset((10 * nbra + i) as isize) + + *coeff_c2s.offset(102 as isize) * *gcart.offset((12 * nbra + i) as isize); i += 1; i; } - i = 0 as i32; + i = 0; while i < nbra { - *gsph - .offset( - (7 as i32 * lds + i) as isize, - ) = *coeff_c2s.offset(107 as isize) - * *gcart.offset((2 as i32 * nbra + i) as isize) - + *coeff_c2s.offset(112 as isize) - * *gcart.offset((7 as i32 * nbra + i) as isize); + *gsph.offset((7 as i32 * lds + i) as isize) = *coeff_c2s.offset(107 as isize) + * *gcart.offset((2 * nbra + i) as isize) + + *coeff_c2s.offset(112 as isize) * *gcart.offset((7 as i32 * nbra + i) as isize); i += 1; i; } - i = 0 as i32; + i = 0; while i < nbra { - *gsph - .offset( - (8 as i32 * lds + i) as isize, - ) = *coeff_c2s.offset(120 as isize) - * *gcart.offset((0 as i32 * nbra + i) as isize) - + *coeff_c2s.offset(123 as isize) - * *gcart.offset((3 as i32 * nbra + i) as isize) - + *coeff_c2s.offset(130 as isize) - * *gcart.offset((10 as i32 * nbra + i) as isize); + *gsph.offset((8 as i32 * lds + i) as isize) = *coeff_c2s.offset(120 as isize) + * *gcart.offset((0 * nbra + i) as isize) + + *coeff_c2s.offset(123 as isize) * *gcart.offset((3 * nbra + i) as isize) + + *coeff_c2s.offset(130 as isize) * *gcart.offset((10 * nbra + i) as isize); i += 1; i; } return pgsph; } #[no_mangle] -pub static mut c2s_bra_sph: [Option::< - unsafe extern "C" fn() -> *mut f64, ->; 16] = unsafe { +pub static mut c2s_bra_sph: [Option *mut f64>; 16] = unsafe { [ ::core::mem::transmute::< - Option::< - unsafe extern "C" fn( - *mut f64, - i32, - *mut f64, - i32, - ) -> *mut f64, - >, - Option:: *mut f64>, - >( - Some( - s_bra_cart2spheric - as unsafe extern "C" fn( - *mut f64, - i32, - *mut f64, - i32, - ) -> *mut f64, - ), - ), + Option *mut f64>, + Option *mut f64>, + >(Some( + s_bra_cart2spheric as unsafe extern "C" fn(*mut f64, i32, *mut f64, i32) -> *mut f64, + )), ::core::mem::transmute::< - Option::< - unsafe extern "C" fn( - *mut f64, - i32, - *mut f64, - i32, - ) -> *mut f64, - >, - Option:: *mut f64>, - >( - Some( - p_bra_cart2spheric - as unsafe extern "C" fn( - *mut f64, - i32, - *mut f64, - i32, - ) -> *mut f64, - ), - ), + Option *mut f64>, + Option *mut f64>, + >(Some( + p_bra_cart2spheric as unsafe extern "C" fn(*mut f64, i32, *mut f64, i32) -> *mut f64, + )), ::core::mem::transmute::< - Option::< - unsafe extern "C" fn( - *mut f64, - i32, - *mut f64, - i32, - ) -> *mut f64, - >, - Option:: *mut f64>, - >( - Some( - d_bra_cart2spheric - as unsafe extern "C" fn( - *mut f64, - i32, - *mut f64, - i32, - ) -> *mut f64, - ), - ), + Option *mut f64>, + Option *mut f64>, + >(Some( + d_bra_cart2spheric as unsafe extern "C" fn(*mut f64, i32, *mut f64, i32) -> *mut f64, + )), ::core::mem::transmute::< - Option::< - unsafe extern "C" fn( - *mut f64, - i32, - *mut f64, - i32, - ) -> *mut f64, - >, - Option:: *mut f64>, - >( - Some( - f_bra_cart2spheric - as unsafe extern "C" fn( - *mut f64, - i32, - *mut f64, - i32, - ) -> *mut f64, - ), - ), + Option *mut f64>, + Option *mut f64>, + >(Some( + f_bra_cart2spheric as unsafe extern "C" fn(*mut f64, i32, *mut f64, i32) -> *mut f64, + )), ::core::mem::transmute::< - Option::< - unsafe extern "C" fn( - *mut f64, - i32, - *mut f64, - i32, - ) -> *mut f64, - >, - Option:: *mut f64>, - >( - Some( - g_bra_cart2spheric - as unsafe extern "C" fn( - *mut f64, - i32, - *mut f64, - i32, - ) -> *mut f64, - ), - ), + Option *mut f64>, + Option *mut f64>, + >(Some( + g_bra_cart2spheric as unsafe extern "C" fn(*mut f64, i32, *mut f64, i32) -> *mut f64, + )), ::core::mem::transmute::< - Option::< - unsafe extern "C" fn( - *mut f64, - i32, - *mut f64, - i32, - ) -> *mut f64, - >, - Option:: *mut f64>, - >( - Some( - a_bra_cart2spheric - as unsafe extern "C" fn( - *mut f64, - i32, - *mut f64, - i32, - ) -> *mut f64, - ), - ), + Option *mut f64>, + Option *mut f64>, + >(Some( + a_bra_cart2spheric as unsafe extern "C" fn(*mut f64, i32, *mut f64, i32) -> *mut f64, + )), ::core::mem::transmute::< - Option::< - unsafe extern "C" fn( - *mut f64, - i32, - *mut f64, - i32, - ) -> *mut f64, - >, - Option:: *mut f64>, - >( - Some( - a_bra_cart2spheric - as unsafe extern "C" fn( - *mut f64, - i32, - *mut f64, - i32, - ) -> *mut f64, - ), - ), + Option *mut f64>, + Option *mut f64>, + >(Some( + a_bra_cart2spheric as unsafe extern "C" fn(*mut f64, i32, *mut f64, i32) -> *mut f64, + )), ::core::mem::transmute::< - Option::< - unsafe extern "C" fn( - *mut f64, - i32, - *mut f64, - i32, - ) -> *mut f64, - >, - Option:: *mut f64>, - >( - Some( - a_bra_cart2spheric - as unsafe extern "C" fn( - *mut f64, - i32, - *mut f64, - i32, - ) -> *mut f64, - ), - ), + Option *mut f64>, + Option *mut f64>, + >(Some( + a_bra_cart2spheric as unsafe extern "C" fn(*mut f64, i32, *mut f64, i32) -> *mut f64, + )), ::core::mem::transmute::< - Option::< - unsafe extern "C" fn( - *mut f64, - i32, - *mut f64, - i32, - ) -> *mut f64, - >, - Option:: *mut f64>, - >( - Some( - a_bra_cart2spheric - as unsafe extern "C" fn( - *mut f64, - i32, - *mut f64, - i32, - ) -> *mut f64, - ), - ), + Option *mut f64>, + Option *mut f64>, + >(Some( + a_bra_cart2spheric as unsafe extern "C" fn(*mut f64, i32, *mut f64, i32) -> *mut f64, + )), ::core::mem::transmute::< - Option::< - unsafe extern "C" fn( - *mut f64, - i32, - *mut f64, - i32, - ) -> *mut f64, - >, - Option:: *mut f64>, - >( - Some( - a_bra_cart2spheric - as unsafe extern "C" fn( - *mut f64, - i32, - *mut f64, - i32, - ) -> *mut f64, - ), - ), + Option *mut f64>, + Option *mut f64>, + >(Some( + a_bra_cart2spheric as unsafe extern "C" fn(*mut f64, i32, *mut f64, i32) -> *mut f64, + )), ::core::mem::transmute::< - Option::< - unsafe extern "C" fn( - *mut f64, - i32, - *mut f64, - i32, - ) -> *mut f64, - >, - Option:: *mut f64>, - >( - Some( - a_bra_cart2spheric - as unsafe extern "C" fn( - *mut f64, - i32, - *mut f64, - i32, - ) -> *mut f64, - ), - ), + Option *mut f64>, + Option *mut f64>, + >(Some( + a_bra_cart2spheric as unsafe extern "C" fn(*mut f64, i32, *mut f64, i32) -> *mut f64, + )), ::core::mem::transmute::< - Option::< - unsafe extern "C" fn( - *mut f64, - i32, - *mut f64, - i32, - ) -> *mut f64, - >, - Option:: *mut f64>, - >( - Some( - a_bra_cart2spheric - as unsafe extern "C" fn( - *mut f64, - i32, - *mut f64, - i32, - ) -> *mut f64, - ), - ), + Option *mut f64>, + Option *mut f64>, + >(Some( + a_bra_cart2spheric as unsafe extern "C" fn(*mut f64, i32, *mut f64, i32) -> *mut f64, + )), ::core::mem::transmute::< - Option::< - unsafe extern "C" fn( - *mut f64, - i32, - *mut f64, - i32, - ) -> *mut f64, - >, - Option:: *mut f64>, - >( - Some( - a_bra_cart2spheric - as unsafe extern "C" fn( - *mut f64, - i32, - *mut f64, - i32, - ) -> *mut f64, - ), - ), + Option *mut f64>, + Option *mut f64>, + >(Some( + a_bra_cart2spheric as unsafe extern "C" fn(*mut f64, i32, *mut f64, i32) -> *mut f64, + )), ::core::mem::transmute::< - Option::< - unsafe extern "C" fn( - *mut f64, - i32, - *mut f64, - i32, - ) -> *mut f64, - >, - Option:: *mut f64>, - >( - Some( - a_bra_cart2spheric - as unsafe extern "C" fn( - *mut f64, - i32, - *mut f64, - i32, - ) -> *mut f64, - ), - ), + Option *mut f64>, + Option *mut f64>, + >(Some( + a_bra_cart2spheric as unsafe extern "C" fn(*mut f64, i32, *mut f64, i32) -> *mut f64, + )), ::core::mem::transmute::< - Option::< - unsafe extern "C" fn( - *mut f64, - i32, - *mut f64, - i32, - ) -> *mut f64, - >, - Option:: *mut f64>, - >( - Some( - a_bra_cart2spheric - as unsafe extern "C" fn( - *mut f64, - i32, - *mut f64, - i32, - ) -> *mut f64, - ), - ), + Option *mut f64>, + Option *mut f64>, + >(Some( + a_bra_cart2spheric as unsafe extern "C" fn(*mut f64, i32, *mut f64, i32) -> *mut f64, + )), ::core::mem::transmute::< - Option::< - unsafe extern "C" fn( - *mut f64, - i32, - *mut f64, - i32, - ) -> *mut f64, - >, - Option:: *mut f64>, - >( - Some( - a_bra_cart2spheric - as unsafe extern "C" fn( - *mut f64, - i32, - *mut f64, - i32, - ) -> *mut f64, - ), - ), + Option *mut f64>, + Option *mut f64>, + >(Some( + a_bra_cart2spheric as unsafe extern "C" fn(*mut f64, i32, *mut f64, i32) -> *mut f64, + )), ] }; #[no_mangle] -pub static mut c2s_ket_sph: [Option::< - unsafe extern "C" fn( - *mut f64, - *mut f64, - i32, - i32, - i32, - ) -> *mut f64, +pub static mut c2s_ket_sph: [Option< + unsafe extern "C" fn(*mut f64, *mut f64, i32, i32, i32) -> *mut f64, >; 16] = unsafe { [ Some( s_ket_cart2spheric - as unsafe extern "C" fn( - *mut f64, - *mut f64, - i32, - i32, - i32, - ) -> *mut f64, + as unsafe extern "C" fn(*mut f64, *mut f64, i32, i32, i32) -> *mut f64, ), Some( p_ket_cart2spheric - as unsafe extern "C" fn( - *mut f64, - *mut f64, - i32, - i32, - i32, - ) -> *mut f64, + as unsafe extern "C" fn(*mut f64, *mut f64, i32, i32, i32) -> *mut f64, ), Some( d_ket_cart2spheric - as unsafe extern "C" fn( - *mut f64, - *mut f64, - i32, - i32, - i32, - ) -> *mut f64, + as unsafe extern "C" fn(*mut f64, *mut f64, i32, i32, i32) -> *mut f64, ), Some( f_ket_cart2spheric - as unsafe extern "C" fn( - *mut f64, - *mut f64, - i32, - i32, - i32, - ) -> *mut f64, + as unsafe extern "C" fn(*mut f64, *mut f64, i32, i32, i32) -> *mut f64, ), Some( g_ket_cart2spheric - as unsafe extern "C" fn( - *mut f64, - *mut f64, - i32, - i32, - i32, - ) -> *mut f64, + as unsafe extern "C" fn(*mut f64, *mut f64, i32, i32, i32) -> *mut f64, ), Some( a_ket_cart2spheric - as unsafe extern "C" fn( - *mut f64, - *mut f64, - i32, - i32, - i32, - ) -> *mut f64, + as unsafe extern "C" fn(*mut f64, *mut f64, i32, i32, i32) -> *mut f64, ), Some( a_ket_cart2spheric - as unsafe extern "C" fn( - *mut f64, - *mut f64, - i32, - i32, - i32, - ) -> *mut f64, + as unsafe extern "C" fn(*mut f64, *mut f64, i32, i32, i32) -> *mut f64, ), Some( a_ket_cart2spheric - as unsafe extern "C" fn( - *mut f64, - *mut f64, - i32, - i32, - i32, - ) -> *mut f64, + as unsafe extern "C" fn(*mut f64, *mut f64, i32, i32, i32) -> *mut f64, ), Some( a_ket_cart2spheric - as unsafe extern "C" fn( - *mut f64, - *mut f64, - i32, - i32, - i32, - ) -> *mut f64, + as unsafe extern "C" fn(*mut f64, *mut f64, i32, i32, i32) -> *mut f64, ), Some( a_ket_cart2spheric - as unsafe extern "C" fn( - *mut f64, - *mut f64, - i32, - i32, - i32, - ) -> *mut f64, + as unsafe extern "C" fn(*mut f64, *mut f64, i32, i32, i32) -> *mut f64, ), Some( a_ket_cart2spheric - as unsafe extern "C" fn( - *mut f64, - *mut f64, - i32, - i32, - i32, - ) -> *mut f64, + as unsafe extern "C" fn(*mut f64, *mut f64, i32, i32, i32) -> *mut f64, ), Some( a_ket_cart2spheric - as unsafe extern "C" fn( - *mut f64, - *mut f64, - i32, - i32, - i32, - ) -> *mut f64, + as unsafe extern "C" fn(*mut f64, *mut f64, i32, i32, i32) -> *mut f64, ), Some( a_ket_cart2spheric - as unsafe extern "C" fn( - *mut f64, - *mut f64, - i32, - i32, - i32, - ) -> *mut f64, + as unsafe extern "C" fn(*mut f64, *mut f64, i32, i32, i32) -> *mut f64, ), Some( a_ket_cart2spheric - as unsafe extern "C" fn( - *mut f64, - *mut f64, - i32, - i32, - i32, - ) -> *mut f64, + as unsafe extern "C" fn(*mut f64, *mut f64, i32, i32, i32) -> *mut f64, ), Some( a_ket_cart2spheric - as unsafe extern "C" fn( - *mut f64, - *mut f64, - i32, - i32, - i32, - ) -> *mut f64, + as unsafe extern "C" fn(*mut f64, *mut f64, i32, i32, i32) -> *mut f64, ), Some( a_ket_cart2spheric - as unsafe extern "C" fn( - *mut f64, - *mut f64, - i32, - i32, - i32, - ) -> *mut f64, + as unsafe extern "C" fn(*mut f64, *mut f64, i32, i32, i32) -> *mut f64, ), ] }; #[no_mangle] -pub static mut c2s_ket_sph1: [Option::< - unsafe extern "C" fn( - *mut f64, - *mut f64, - i32, - i32, - i32, - ) -> *mut f64, +pub static mut c2s_ket_sph1: [Option< + unsafe extern "C" fn(*mut f64, *mut f64, i32, i32, i32) -> *mut f64, >; 16] = unsafe { [ Some( s_ket_cart2spheric_copy - as unsafe extern "C" fn( - *mut f64, - *mut f64, - i32, - i32, - i32, - ) -> *mut f64, + as unsafe extern "C" fn(*mut f64, *mut f64, i32, i32, i32) -> *mut f64, ), Some( p_ket_cart2spheric_copy - as unsafe extern "C" fn( - *mut f64, - *mut f64, - i32, - i32, - i32, - ) -> *mut f64, + as unsafe extern "C" fn(*mut f64, *mut f64, i32, i32, i32) -> *mut f64, ), Some( d_ket_cart2spheric - as unsafe extern "C" fn( - *mut f64, - *mut f64, - i32, - i32, - i32, - ) -> *mut f64, + as unsafe extern "C" fn(*mut f64, *mut f64, i32, i32, i32) -> *mut f64, ), Some( f_ket_cart2spheric - as unsafe extern "C" fn( - *mut f64, - *mut f64, - i32, - i32, - i32, - ) -> *mut f64, + as unsafe extern "C" fn(*mut f64, *mut f64, i32, i32, i32) -> *mut f64, ), Some( g_ket_cart2spheric - as unsafe extern "C" fn( - *mut f64, - *mut f64, - i32, - i32, - i32, - ) -> *mut f64, + as unsafe extern "C" fn(*mut f64, *mut f64, i32, i32, i32) -> *mut f64, ), Some( a_ket_cart2spheric - as unsafe extern "C" fn( - *mut f64, - *mut f64, - i32, - i32, - i32, - ) -> *mut f64, + as unsafe extern "C" fn(*mut f64, *mut f64, i32, i32, i32) -> *mut f64, ), Some( a_ket_cart2spheric - as unsafe extern "C" fn( - *mut f64, - *mut f64, - i32, - i32, - i32, - ) -> *mut f64, + as unsafe extern "C" fn(*mut f64, *mut f64, i32, i32, i32) -> *mut f64, ), Some( a_ket_cart2spheric - as unsafe extern "C" fn( - *mut f64, - *mut f64, - i32, - i32, - i32, - ) -> *mut f64, + as unsafe extern "C" fn(*mut f64, *mut f64, i32, i32, i32) -> *mut f64, ), Some( a_ket_cart2spheric - as unsafe extern "C" fn( - *mut f64, - *mut f64, - i32, - i32, - i32, - ) -> *mut f64, + as unsafe extern "C" fn(*mut f64, *mut f64, i32, i32, i32) -> *mut f64, ), Some( a_ket_cart2spheric - as unsafe extern "C" fn( - *mut f64, - *mut f64, - i32, - i32, - i32, - ) -> *mut f64, + as unsafe extern "C" fn(*mut f64, *mut f64, i32, i32, i32) -> *mut f64, ), Some( a_ket_cart2spheric - as unsafe extern "C" fn( - *mut f64, - *mut f64, - i32, - i32, - i32, - ) -> *mut f64, + as unsafe extern "C" fn(*mut f64, *mut f64, i32, i32, i32) -> *mut f64, ), Some( a_ket_cart2spheric - as unsafe extern "C" fn( - *mut f64, - *mut f64, - i32, - i32, - i32, - ) -> *mut f64, + as unsafe extern "C" fn(*mut f64, *mut f64, i32, i32, i32) -> *mut f64, ), Some( a_ket_cart2spheric - as unsafe extern "C" fn( - *mut f64, - *mut f64, - i32, - i32, - i32, - ) -> *mut f64, + as unsafe extern "C" fn(*mut f64, *mut f64, i32, i32, i32) -> *mut f64, ), Some( a_ket_cart2spheric - as unsafe extern "C" fn( - *mut f64, - *mut f64, - i32, - i32, - i32, - ) -> *mut f64, + as unsafe extern "C" fn(*mut f64, *mut f64, i32, i32, i32) -> *mut f64, ), Some( a_ket_cart2spheric - as unsafe extern "C" fn( - *mut f64, - *mut f64, - i32, - i32, - i32, - ) -> *mut f64, + as unsafe extern "C" fn(*mut f64, *mut f64, i32, i32, i32) -> *mut f64, ), Some( a_ket_cart2spheric - as unsafe extern "C" fn( - *mut f64, - *mut f64, - i32, - i32, - i32, - ) -> *mut f64, + as unsafe extern "C" fn(*mut f64, *mut f64, i32, i32, i32) -> *mut f64, ), ] }; @@ -89732,7 +89058,7 @@ unsafe extern "C" fn a_bra_cart2spinor_si( let mut gspbI: *mut f64 = gspI.offset((nket * nd) as isize); let mut coeffR: *mut f64 = 0 as *mut f64; let mut coeffI: *mut f64 = 0 as *mut f64; - if kappa < 0 as i32 { + if kappa < 0 { coeffR = g_c2s[l as usize].cart2j_gt_lR; coeffI = g_c2s[l as usize].cart2j_gt_lI; } else { @@ -89754,24 +89080,24 @@ unsafe extern "C" fn a_bra_cart2spinor_si( let mut vx: f64 = 0.; let mut vy: f64 = 0.; let mut vz: f64 = 0.; - j = 0 as i32; + j = 0; while j < nket { - i = 0 as i32; + i = 0; while i < nd { saR = 0 as f64; saI = 0 as f64; sbR = 0 as f64; sbI = 0 as f64; - n = 0 as i32; + n = 0; while n < nf { v1 = *g1.offset((j * nf + n) as isize); vx = *gx.offset((j * nf + n) as isize); vy = *gy.offset((j * nf + n) as isize); vz = *gz.offset((j * nf + n) as isize); - caR = *coeffR.offset((i * nf * 2 as i32 + n) as isize); - caI = *coeffI.offset((i * nf * 2 as i32 + n) as isize); - cbR = *coeffR.offset((i * nf * 2 as i32 + nf + n) as isize); - cbI = *coeffI.offset((i * nf * 2 as i32 + nf + n) as isize); + caR = *coeffR.offset((i * nf * 2 + n) as isize); + caI = *coeffI.offset((i * nf * 2 + n) as isize); + cbR = *coeffR.offset((i * nf * 2 + nf + n) as isize); + cbI = *coeffI.offset((i * nf * 2 + nf + n) as isize); saR += caR * v1 + caI * vz - cbR * vy + cbI * vx; saI += -caI * v1 + caR * vz + cbI * vy + cbR * vx; sbR += cbR * v1 - cbI * vz + caR * vy + caI * vx; @@ -89809,7 +89135,7 @@ unsafe extern "C" fn a_bra_cart2spinor_sf( let mut gspbI: *mut f64 = gspI.offset((nket * nd) as isize); let mut coeffR: *mut f64 = 0 as *mut f64; let mut coeffI: *mut f64 = 0 as *mut f64; - if kappa < 0 as i32 { + if kappa < 0 { coeffR = g_c2s[l as usize].cart2j_gt_lR; coeffI = g_c2s[l as usize].cart2j_gt_lI; } else { @@ -89828,21 +89154,21 @@ unsafe extern "C" fn a_bra_cart2spinor_sf( let mut cbR: f64 = 0.; let mut cbI: f64 = 0.; let mut v1: f64 = 0.; - j = 0 as i32; + j = 0; while j < nket { - i = 0 as i32; + i = 0; while i < nd { saR = 0 as f64; saI = 0 as f64; sbR = 0 as f64; sbI = 0 as f64; - n = 0 as i32; + n = 0; while n < nf { v1 = *g1.offset((j * nf + n) as isize); - caR = *coeffR.offset((i * nf * 2 as i32 + n) as isize); - caI = *coeffI.offset((i * nf * 2 as i32 + n) as isize); - cbR = *coeffR.offset((i * nf * 2 as i32 + nf + n) as isize); - cbI = *coeffI.offset((i * nf * 2 as i32 + nf + n) as isize); + caR = *coeffR.offset((i * nf * 2 + n) as isize); + caI = *coeffI.offset((i * nf * 2 + n) as isize); + cbR = *coeffR.offset((i * nf * 2 + nf + n) as isize); + cbI = *coeffI.offset((i * nf * 2 + nf + n) as isize); saR += caR * v1; saI += -caI * v1; sbR += cbR * v1; @@ -89882,7 +89208,7 @@ unsafe extern "C" fn a_bra1_cart2spinor_si( let mut gspbI: *mut f64 = gspI.offset((nket * ndg) as isize); let mut coeffR: *mut f64 = 0 as *mut f64; let mut coeffI: *mut f64 = 0 as *mut f64; - if kappa < 0 as i32 { + if kappa < 0 { coeffR = g_c2s[l as usize].cart2j_gt_lR; coeffI = g_c2s[l as usize].cart2j_gt_lI; } else { @@ -89901,9 +89227,9 @@ unsafe extern "C" fn a_bra1_cart2spinor_si( let mut vx: f64 = 0.; let mut vy: f64 = 0.; let mut vz: f64 = 0.; - j = 0 as i32; + j = 0; while j < nket { - i = 0 as i32; + i = 0; while i < ndg { *gspaR.offset((j * ndg + i) as isize) = 0 as f64; *gspaI.offset((j * ndg + i) as isize) = 0 as f64; @@ -89912,28 +89238,28 @@ unsafe extern "C" fn a_bra1_cart2spinor_si( i += 1; i; } - i = 0 as i32; + i = 0; while i < nd { - n = 0 as i32; + n = 0; while n < nf { - caR = *coeffR.offset((i * nf * 2 as i32 + n) as isize); - caI = *coeffI.offset((i * nf * 2 as i32 + n) as isize); - cbR = *coeffR.offset((i * nf * 2 as i32 + nf + n) as isize); - cbI = *coeffI.offset((i * nf * 2 as i32 + nf + n) as isize); - m = 0 as i32; + caR = *coeffR.offset((i * nf * 2 + n) as isize); + caI = *coeffI.offset((i * nf * 2 + n) as isize); + cbR = *coeffR.offset((i * nf * 2 + nf + n) as isize); + cbI = *coeffI.offset((i * nf * 2 + nf + n) as isize); + m = 0; while m < ngrids { v1 = *g1.offset(((j * nf + n) * ngrids + m) as isize); vx = *gx.offset(((j * nf + n) * ngrids + m) as isize); vy = *gy.offset(((j * nf + n) * ngrids + m) as isize); vz = *gz.offset(((j * nf + n) * ngrids + m) as isize); - *gspaR.offset(((j * nd + i) * ngrids + m) as isize) - += caR * v1 + caI * vz - cbR * vy + cbI * vx; - *gspaI.offset(((j * nd + i) * ngrids + m) as isize) - += -caI * v1 + caR * vz + cbI * vy + cbR * vx; - *gspbR.offset(((j * nd + i) * ngrids + m) as isize) - += cbR * v1 - cbI * vz + caR * vy + caI * vx; - *gspbI.offset(((j * nd + i) * ngrids + m) as isize) - += -cbI * v1 - cbR * vz - caI * vy + caR * vx; + *gspaR.offset(((j * nd + i) * ngrids + m) as isize) += + caR * v1 + caI * vz - cbR * vy + cbI * vx; + *gspaI.offset(((j * nd + i) * ngrids + m) as isize) += + -caI * v1 + caR * vz + cbI * vy + cbR * vx; + *gspbR.offset(((j * nd + i) * ngrids + m) as isize) += + cbR * v1 - cbI * vz + caR * vy + caI * vx; + *gspbI.offset(((j * nd + i) * ngrids + m) as isize) += + -cbI * v1 - cbR * vz - caI * vy + caR * vx; m += 1; m; } @@ -89968,7 +89294,7 @@ unsafe extern "C" fn a_bra1_cart2spinor_sf( let mut gspbI: *mut f64 = gspI.offset((nket * ndg) as isize); let mut coeffR: *mut f64 = 0 as *mut f64; let mut coeffI: *mut f64 = 0 as *mut f64; - if kappa < 0 as i32 { + if kappa < 0 { coeffR = g_c2s[l as usize].cart2j_gt_lR; coeffI = g_c2s[l as usize].cart2j_gt_lI; } else { @@ -89984,9 +89310,9 @@ unsafe extern "C" fn a_bra1_cart2spinor_sf( let mut cbR: f64 = 0.; let mut cbI: f64 = 0.; let mut v1: f64 = 0.; - j = 0 as i32; + j = 0; while j < nket { - i = 0 as i32; + i = 0; while i < ndg { *gspaR.offset((j * ndg + i) as isize) = 0 as f64; *gspaI.offset((j * ndg + i) as isize) = 0 as f64; @@ -89995,15 +89321,15 @@ unsafe extern "C" fn a_bra1_cart2spinor_sf( i += 1; i; } - i = 0 as i32; + i = 0; while i < nd { - n = 0 as i32; + n = 0; while n < nf { - caR = *coeffR.offset((i * nf * 2 as i32 + n) as isize); - caI = *coeffI.offset((i * nf * 2 as i32 + n) as isize); - cbR = *coeffR.offset((i * nf * 2 as i32 + nf + n) as isize); - cbI = *coeffI.offset((i * nf * 2 as i32 + nf + n) as isize); - m = 0 as i32; + caR = *coeffR.offset((i * nf * 2 + n) as isize); + caI = *coeffI.offset((i * nf * 2 + n) as isize); + cbR = *coeffR.offset((i * nf * 2 + nf + n) as isize); + cbI = *coeffI.offset((i * nf * 2 + nf + n) as isize); + m = 0; while m < ngrids { v1 = *g1.offset(((j * nf + n) * ngrids + m) as isize); *gspaR.offset(((j * nd + i) * ngrids + m) as isize) += caR * v1; @@ -90052,7 +89378,7 @@ unsafe extern "C" fn a_bra1_cart2spinor_zi( let mut g1I: *mut f64 = g1.offset((nket * nf * ngrids) as isize); let mut coeffR: *mut f64 = 0 as *mut f64; let mut coeffI: *mut f64 = 0 as *mut f64; - if kappa < 0 as i32 { + if kappa < 0 { coeffR = g_c2s[l as usize].cart2j_gt_lR; coeffI = g_c2s[l as usize].cart2j_gt_lI; } else { @@ -90083,9 +89409,9 @@ unsafe extern "C" fn a_bra1_cart2spinor_zi( let mut v12I: f64 = 0.; let mut v21I: f64 = 0.; let mut v22I: f64 = 0.; - j = 0 as i32; + j = 0; while j < nket { - i = 0 as i32; + i = 0; while i < ndg { *gspaR.offset((j * ndg + i) as isize) = 0 as f64; *gspaI.offset((j * ndg + i) as isize) = 0 as f64; @@ -90094,15 +89420,15 @@ unsafe extern "C" fn a_bra1_cart2spinor_zi( i += 1; i; } - i = 0 as i32; + i = 0; while i < nd { - n = 0 as i32; + n = 0; while n < nf { - caR = *coeffR.offset((i * nf * 2 as i32 + n) as isize); - caI = *coeffI.offset((i * nf * 2 as i32 + n) as isize); - cbR = *coeffR.offset((i * nf * 2 as i32 + nf + n) as isize); - cbI = *coeffI.offset((i * nf * 2 as i32 + nf + n) as isize); - m = 0 as i32; + caR = *coeffR.offset((i * nf * 2 + n) as isize); + caI = *coeffI.offset((i * nf * 2 + n) as isize); + cbR = *coeffR.offset((i * nf * 2 + nf + n) as isize); + cbI = *coeffI.offset((i * nf * 2 + nf + n) as isize); + m = 0; while m < ngrids { v11R = *g1R.offset(((j * nf + n) * ngrids + m) as isize) - *gzI.offset(((j * nf + n) * ngrids + m) as isize); @@ -90120,14 +89446,14 @@ unsafe extern "C" fn a_bra1_cart2spinor_zi( + *gzI.offset(((j * nf + n) * ngrids + m) as isize); v22I = *g1I.offset(((j * nf + n) * ngrids + m) as isize) - *gzR.offset(((j * nf + n) * ngrids + m) as isize); - *gspaR.offset(((j * nd + i) * ngrids + m) as isize) - += caR * v11R + caI * v11I + cbR * v21R + cbI * v21I; - *gspaI.offset(((j * nd + i) * ngrids + m) as isize) - += caR * v11I - caI * v11R + cbR * v21I - cbI * v21R; - *gspbR.offset(((j * nd + i) * ngrids + m) as isize) - += caR * v12R + caI * v12I + cbR * v22R + cbI * v22I; - *gspbI.offset(((j * nd + i) * ngrids + m) as isize) - += caR * v12I - caI * v12R + cbR * v22I - cbI * v22R; + *gspaR.offset(((j * nd + i) * ngrids + m) as isize) += + caR * v11R + caI * v11I + cbR * v21R + cbI * v21I; + *gspaI.offset(((j * nd + i) * ngrids + m) as isize) += + caR * v11I - caI * v11R + cbR * v21I - cbI * v21R; + *gspbR.offset(((j * nd + i) * ngrids + m) as isize) += + caR * v12R + caI * v12I + cbR * v22R + cbI * v22I; + *gspbI.offset(((j * nd + i) * ngrids + m) as isize) += + caR * v12I - caI * v12R + cbR * v22I - cbI * v22R; m += 1; m; } @@ -90164,7 +89490,7 @@ unsafe extern "C" fn a_bra1_cart2spinor_zf( let mut g1I: *mut f64 = g1.offset((nket * nf * ngrids) as isize); let mut coeffR: *mut f64 = 0 as *mut f64; let mut coeffI: *mut f64 = 0 as *mut f64; - if kappa < 0 as i32 { + if kappa < 0 { coeffR = g_c2s[l as usize].cart2j_gt_lR; coeffI = g_c2s[l as usize].cart2j_gt_lI; } else { @@ -90181,9 +89507,9 @@ unsafe extern "C" fn a_bra1_cart2spinor_zf( let mut cbI: f64 = 0.; let mut v1R: f64 = 0.; let mut v1I: f64 = 0.; - j = 0 as i32; + j = 0; while j < nket { - i = 0 as i32; + i = 0; while i < ndg { *gspaR.offset((j * ndg + i) as isize) = 0 as f64; *gspaI.offset((j * ndg + i) as isize) = 0 as f64; @@ -90192,26 +89518,22 @@ unsafe extern "C" fn a_bra1_cart2spinor_zf( i += 1; i; } - i = 0 as i32; + i = 0; while i < nd { - n = 0 as i32; + n = 0; while n < nf { - caR = *coeffR.offset((i * nf * 2 as i32 + n) as isize); - caI = *coeffI.offset((i * nf * 2 as i32 + n) as isize); - cbR = *coeffR.offset((i * nf * 2 as i32 + nf + n) as isize); - cbI = *coeffI.offset((i * nf * 2 as i32 + nf + n) as isize); - m = 0 as i32; + caR = *coeffR.offset((i * nf * 2 + n) as isize); + caI = *coeffI.offset((i * nf * 2 + n) as isize); + cbR = *coeffR.offset((i * nf * 2 + nf + n) as isize); + cbI = *coeffI.offset((i * nf * 2 + nf + n) as isize); + m = 0; while m < ngrids { v1R = *g1R.offset(((j * nf + n) * ngrids + m) as isize); v1I = *g1I.offset(((j * nf + n) * ngrids + m) as isize); - *gspaR.offset(((j * nd + i) * ngrids + m) as isize) - += caR * v1R + caI * v1I; - *gspaI.offset(((j * nd + i) * ngrids + m) as isize) - += caR * v1I - caI * v1R; - *gspbR.offset(((j * nd + i) * ngrids + m) as isize) - += cbR * v1R + cbI * v1I; - *gspbI.offset(((j * nd + i) * ngrids + m) as isize) - += cbR * v1I - cbI * v1R; + *gspaR.offset(((j * nd + i) * ngrids + m) as isize) += caR * v1R + caI * v1I; + *gspaI.offset(((j * nd + i) * ngrids + m) as isize) += caR * v1I - caI * v1R; + *gspbR.offset(((j * nd + i) * ngrids + m) as isize) += cbR * v1R + cbI * v1I; + *gspbI.offset(((j * nd + i) * ngrids + m) as isize) += cbR * v1I - cbI * v1R; m += 1; m; } @@ -90235,11 +89557,11 @@ unsafe extern "C" fn a_ket_cart2spinor( mut l: i32, ) { let mut nf: i32 = _len_cart[l as usize]; - let mut nf2: i32 = nf * 2 as i32; + let mut nf2: i32 = nf * 2; let mut nd: i32 = _len_spinor(kappa, l); let mut coeffR: *mut f64 = 0 as *mut f64; let mut coeffI: *mut f64 = 0 as *mut f64; - if kappa < 0 as i32 { + if kappa < 0 { coeffR = g_c2s[l as usize].cart2j_gt_lR; coeffI = g_c2s[l as usize].cart2j_gt_lI; } else { @@ -90253,22 +89575,22 @@ unsafe extern "C" fn a_ket_cart2spinor( let mut cI: f64 = 0.; let mut gR: f64 = 0.; let mut gI: f64 = 0.; - i = 0 as i32; + i = 0; while i < nd { - j = 0 as i32; + j = 0; while j < nbra { *gspR.offset((j + i * nbra) as isize) = 0 as f64; *gspI.offset((j + i * nbra) as isize) = 0 as f64; j += 1; j; } - n = 0 as i32; + n = 0; while n < nf2 { cR = *coeffR.offset((i * nf2 + n) as isize); cI = *coeffI.offset((i * nf2 + n) as isize); if cR != 0 as f64 { if cI != 0 as f64 { - j = 0 as i32; + j = 0; while j < nbra { gR = *gcartR.offset((j + n * nbra) as isize); gI = *gcartI.offset((j + n * nbra) as isize); @@ -90278,7 +89600,7 @@ unsafe extern "C" fn a_ket_cart2spinor( j; } } else { - j = 0 as i32; + j = 0; while j < nbra { gR = *gcartR.offset((j + n * nbra) as isize); gI = *gcartI.offset((j + n * nbra) as isize); @@ -90289,7 +89611,7 @@ unsafe extern "C" fn a_ket_cart2spinor( } } } else if cI != 0 as f64 { - j = 0 as i32; + j = 0; while j < nbra { gR = *gcartR.offset((j + n * nbra) as isize); gI = *gcartI.offset((j + n * nbra) as isize); @@ -90318,7 +89640,7 @@ unsafe extern "C" fn a_iket_cart2spinor( a_ket_cart2spinor(gspI, gspR, gcartR, gcartI, nbra, kappa, l); let mut size: i32 = _len_spinor(kappa, l) * nbra; let mut i: i32 = 0; - i = 0 as i32; + i = 0; while i < size { *gspR.offset(i as isize) = -*gspR.offset(i as isize); i += 1; @@ -90336,7 +89658,7 @@ unsafe extern "C" fn a_ket1_cart2spinor( mut l: i32, ) { let mut nf: i32 = _len_cart[l as usize]; - let mut nf2: i32 = nf * 2 as i32; + let mut nf2: i32 = nf * 2; let mut nd: i32 = _len_spinor(kappa, l); let mut nds: i32 = nd * nbra; let mut nfs: i32 = nf * nbra; @@ -90346,7 +89668,7 @@ unsafe extern "C" fn a_ket1_cart2spinor( let mut gcartbI: *mut f64 = gcartaI.offset((nfs * counts) as isize); let mut coeffR: *mut f64 = 0 as *mut f64; let mut coeffI: *mut f64 = 0 as *mut f64; - if kappa < 0 as i32 { + if kappa < 0 { coeffR = g_c2s[l as usize].cart2j_gt_lR; coeffI = g_c2s[l as usize].cart2j_gt_lI; } else { @@ -90365,44 +89687,38 @@ unsafe extern "C" fn a_ket1_cart2spinor( let mut gaI: f64 = 0.; let mut gbR: f64 = 0.; let mut gbI: f64 = 0.; - i = 0 as i32; + i = 0; while i < nd { - k = 0 as i32; + k = 0; while k < counts { - j = 0 as i32; + j = 0; while j < nbra { - *gspR - .offset( - (k * nds + j + i * nbra) as isize, - ) = 0 as f64; - *gspI - .offset( - (k * nds + j + i * nbra) as isize, - ) = 0 as f64; + *gspR.offset((k * nds + j + i * nbra) as isize) = 0 as f64; + *gspI.offset((k * nds + j + i * nbra) as isize) = 0 as f64; j += 1; j; } k += 1; k; } - n = 0 as i32; + n = 0; while n < nf { caR = *coeffR.offset((i * nf2 + n) as isize); caI = *coeffI.offset((i * nf2 + n) as isize); cbR = *coeffR.offset((i * nf2 + nf + n) as isize); cbI = *coeffI.offset((i * nf2 + nf + n) as isize); - k = 0 as i32; + k = 0; while k < counts { - j = 0 as i32; + j = 0; while j < nbra { gaR = *gcartaR.offset((k * nfs + j + n * nbra) as isize); gaI = *gcartaI.offset((k * nfs + j + n * nbra) as isize); gbR = *gcartbR.offset((k * nfs + j + n * nbra) as isize); gbI = *gcartbI.offset((k * nfs + j + n * nbra) as isize); - *gspR.offset((k * nds + j + i * nbra) as isize) - += caR * gaR - caI * gaI + cbR * gbR - cbI * gbI; - *gspI.offset((k * nds + j + i * nbra) as isize) - += caR * gaI + caI * gaR + cbR * gbI + cbI * gbR; + *gspR.offset((k * nds + j + i * nbra) as isize) += + caR * gaR - caI * gaI + cbR * gbR - cbI * gbI; + *gspI.offset((k * nds + j + i * nbra) as isize) += + caR * gaI + caI * gaR + cbR * gbI + cbI * gbR; j += 1; j; } @@ -90429,7 +89745,7 @@ unsafe extern "C" fn a_iket1_cart2spinor( a_ket1_cart2spinor(gspI, gspR, gcartR, gcartI, nbra, counts, kappa, l); let mut size: i32 = _len_spinor(kappa, l) * nbra * counts; let mut i: i32 = 0; - i = 0 as i32; + i = 0; while i < size { *gspR.offset(i as isize) = -*gspR.offset(i as isize); i += 1; @@ -90446,9 +89762,9 @@ unsafe extern "C" fn dcopy_ij( ) { let mut i: i32 = 0; let mut j: i32 = 0; - j = 0 as i32; + j = 0; while j < mj { - i = 0 as i32; + i = 0; while i < mi { *out.offset((j * ni + i) as isize) = *gctr.offset((j * mi + i) as isize); i += 1; @@ -90473,16 +89789,13 @@ unsafe extern "C" fn dcopy_grids_ij( let mut i: i32 = 0; let mut j: i32 = 0; let mut m: i32 = 0; - j = 0 as i32; + j = 0; while j < mj { - i = 0 as i32; + i = 0; while i < mi { - m = 0 as i32; + m = 0; while m < mgrids { - *out - .offset( - (i * ngrids + m) as isize, - ) = *gctr.offset((i * mgrids + m) as isize); + *out.offset((i * ngrids + m) as isize) = *gctr.offset((i * mgrids + m) as isize); m += 1; m; } @@ -90519,20 +89832,16 @@ unsafe extern "C" fn dcopy_iklj( let mut pgctr: *const f64 = 0 as *const f64; match mi { 1 => { - l = 0 as i32; + l = 0; while l < ml { - k = 0 as i32; + k = 0; while k < mk { - pijkl = fijkl - .offset((k as u64).wrapping_mul(nij) as isize); + pijkl = fijkl.offset((k as u64).wrapping_mul(nij) as isize); pgctr = gctr.offset((k * mi) as isize); - j = 0 as i32; + j = 0; while j < mj { - *pijkl - .offset( - (ni * j) as isize, - ) = *pgctr - .offset(mikl.wrapping_mul(j as u64) as isize); + *pijkl.offset((ni * j) as isize) = + *pgctr.offset(mikl.wrapping_mul(j as u64) as isize); j += 1; j; } @@ -90546,42 +89855,20 @@ unsafe extern "C" fn dcopy_iklj( } } 3 => { - l = 0 as i32; + l = 0; while l < ml { - k = 0 as i32; + k = 0; while k < mk { - pijkl = fijkl - .offset((k as u64).wrapping_mul(nij) as isize); + pijkl = fijkl.offset((k as u64).wrapping_mul(nij) as isize); pgctr = gctr.offset((k * mi) as isize); - j = 0 as i32; + j = 0; while j < mj { - *pijkl - .offset( - (ni * j + 0 as i32) as isize, - ) = *pgctr - .offset( - mikl - .wrapping_mul(j as u64) - .wrapping_add(0 as u64) as isize, - ); - *pijkl - .offset( - (ni * j + 1 as i32) as isize, - ) = *pgctr - .offset( - mikl - .wrapping_mul(j as u64) - .wrapping_add(1 as u64) as isize, - ); - *pijkl - .offset( - (ni * j + 2 as i32) as isize, - ) = *pgctr - .offset( - mikl - .wrapping_mul(j as u64) - .wrapping_add(2 as u64) as isize, - ); + *pijkl.offset((ni * j + 0) as isize) = *pgctr + .offset(mikl.wrapping_mul(j as u64).wrapping_add(0 as u64) as isize); + *pijkl.offset((ni * j + 1) as isize) = *pgctr + .offset(mikl.wrapping_mul(j as u64).wrapping_add(1 as u64) as isize); + *pijkl.offset((ni * j + 2) as isize) = *pgctr + .offset(mikl.wrapping_mul(j as u64).wrapping_add(2 as u64) as isize); j += 1; j; } @@ -90595,60 +89882,24 @@ unsafe extern "C" fn dcopy_iklj( } } 5 => { - l = 0 as i32; + l = 0; while l < ml { - k = 0 as i32; + k = 0; while k < mk { - pijkl = fijkl - .offset((k as u64).wrapping_mul(nij) as isize); + pijkl = fijkl.offset((k as u64).wrapping_mul(nij) as isize); pgctr = gctr.offset((k * mi) as isize); - j = 0 as i32; + j = 0; while j < mj { - *pijkl - .offset( - (ni * j + 0 as i32) as isize, - ) = *pgctr - .offset( - mikl - .wrapping_mul(j as u64) - .wrapping_add(0 as u64) as isize, - ); - *pijkl - .offset( - (ni * j + 1 as i32) as isize, - ) = *pgctr - .offset( - mikl - .wrapping_mul(j as u64) - .wrapping_add(1 as u64) as isize, - ); - *pijkl - .offset( - (ni * j + 2 as i32) as isize, - ) = *pgctr - .offset( - mikl - .wrapping_mul(j as u64) - .wrapping_add(2 as u64) as isize, - ); - *pijkl - .offset( - (ni * j + 3 as i32) as isize, - ) = *pgctr - .offset( - mikl - .wrapping_mul(j as u64) - .wrapping_add(3 as u64) as isize, - ); - *pijkl - .offset( - (ni * j + 4 as i32) as isize, - ) = *pgctr - .offset( - mikl - .wrapping_mul(j as u64) - .wrapping_add(4 as u64) as isize, - ); + *pijkl.offset((ni * j + 0) as isize) = *pgctr + .offset(mikl.wrapping_mul(j as u64).wrapping_add(0 as u64) as isize); + *pijkl.offset((ni * j + 1) as isize) = *pgctr + .offset(mikl.wrapping_mul(j as u64).wrapping_add(1 as u64) as isize); + *pijkl.offset((ni * j + 2) as isize) = *pgctr + .offset(mikl.wrapping_mul(j as u64).wrapping_add(2 as u64) as isize); + *pijkl.offset((ni * j + 3) as isize) = *pgctr + .offset(mikl.wrapping_mul(j as u64).wrapping_add(3 as u64) as isize); + *pijkl.offset((ni * j + 4 as i32) as isize) = *pgctr + .offset(mikl.wrapping_mul(j as u64).wrapping_add(4 as u64) as isize); j += 1; j; } @@ -90662,69 +89913,26 @@ unsafe extern "C" fn dcopy_iklj( } } 6 => { - l = 0 as i32; + l = 0; while l < ml { - k = 0 as i32; + k = 0; while k < mk { - pijkl = fijkl - .offset((k as u64).wrapping_mul(nij) as isize); + pijkl = fijkl.offset((k as u64).wrapping_mul(nij) as isize); pgctr = gctr.offset((k * mi) as isize); - j = 0 as i32; + j = 0; while j < mj { - *pijkl - .offset( - (ni * j + 0 as i32) as isize, - ) = *pgctr - .offset( - mikl - .wrapping_mul(j as u64) - .wrapping_add(0 as u64) as isize, - ); - *pijkl - .offset( - (ni * j + 1 as i32) as isize, - ) = *pgctr - .offset( - mikl - .wrapping_mul(j as u64) - .wrapping_add(1 as u64) as isize, - ); - *pijkl - .offset( - (ni * j + 2 as i32) as isize, - ) = *pgctr - .offset( - mikl - .wrapping_mul(j as u64) - .wrapping_add(2 as u64) as isize, - ); - *pijkl - .offset( - (ni * j + 3 as i32) as isize, - ) = *pgctr - .offset( - mikl - .wrapping_mul(j as u64) - .wrapping_add(3 as u64) as isize, - ); - *pijkl - .offset( - (ni * j + 4 as i32) as isize, - ) = *pgctr - .offset( - mikl - .wrapping_mul(j as u64) - .wrapping_add(4 as u64) as isize, - ); - *pijkl - .offset( - (ni * j + 5 as i32) as isize, - ) = *pgctr - .offset( - mikl - .wrapping_mul(j as u64) - .wrapping_add(5 as u64) as isize, - ); + *pijkl.offset((ni * j + 0) as isize) = *pgctr + .offset(mikl.wrapping_mul(j as u64).wrapping_add(0 as u64) as isize); + *pijkl.offset((ni * j + 1) as isize) = *pgctr + .offset(mikl.wrapping_mul(j as u64).wrapping_add(1 as u64) as isize); + *pijkl.offset((ni * j + 2) as isize) = *pgctr + .offset(mikl.wrapping_mul(j as u64).wrapping_add(2 as u64) as isize); + *pijkl.offset((ni * j + 3) as isize) = *pgctr + .offset(mikl.wrapping_mul(j as u64).wrapping_add(3 as u64) as isize); + *pijkl.offset((ni * j + 4 as i32) as isize) = *pgctr + .offset(mikl.wrapping_mul(j as u64).wrapping_add(4 as u64) as isize); + *pijkl.offset((ni * j + 5 as i32) as isize) = *pgctr + .offset(mikl.wrapping_mul(j as u64).wrapping_add(5 as u64) as isize); j += 1; j; } @@ -90738,78 +89946,28 @@ unsafe extern "C" fn dcopy_iklj( } } 7 => { - l = 0 as i32; + l = 0; while l < ml { - k = 0 as i32; + k = 0; while k < mk { - pijkl = fijkl - .offset((k as u64).wrapping_mul(nij) as isize); + pijkl = fijkl.offset((k as u64).wrapping_mul(nij) as isize); pgctr = gctr.offset((k * mi) as isize); - j = 0 as i32; + j = 0; while j < mj { - *pijkl - .offset( - (ni * j + 0 as i32) as isize, - ) = *pgctr - .offset( - mikl - .wrapping_mul(j as u64) - .wrapping_add(0 as u64) as isize, - ); - *pijkl - .offset( - (ni * j + 1 as i32) as isize, - ) = *pgctr - .offset( - mikl - .wrapping_mul(j as u64) - .wrapping_add(1 as u64) as isize, - ); - *pijkl - .offset( - (ni * j + 2 as i32) as isize, - ) = *pgctr - .offset( - mikl - .wrapping_mul(j as u64) - .wrapping_add(2 as u64) as isize, - ); - *pijkl - .offset( - (ni * j + 3 as i32) as isize, - ) = *pgctr - .offset( - mikl - .wrapping_mul(j as u64) - .wrapping_add(3 as u64) as isize, - ); - *pijkl - .offset( - (ni * j + 4 as i32) as isize, - ) = *pgctr - .offset( - mikl - .wrapping_mul(j as u64) - .wrapping_add(4 as u64) as isize, - ); - *pijkl - .offset( - (ni * j + 5 as i32) as isize, - ) = *pgctr - .offset( - mikl - .wrapping_mul(j as u64) - .wrapping_add(5 as u64) as isize, - ); - *pijkl - .offset( - (ni * j + 6 as i32) as isize, - ) = *pgctr - .offset( - mikl - .wrapping_mul(j as u64) - .wrapping_add(6 as u64) as isize, - ); + *pijkl.offset((ni * j + 0) as isize) = *pgctr + .offset(mikl.wrapping_mul(j as u64).wrapping_add(0 as u64) as isize); + *pijkl.offset((ni * j + 1) as isize) = *pgctr + .offset(mikl.wrapping_mul(j as u64).wrapping_add(1 as u64) as isize); + *pijkl.offset((ni * j + 2) as isize) = *pgctr + .offset(mikl.wrapping_mul(j as u64).wrapping_add(2 as u64) as isize); + *pijkl.offset((ni * j + 3) as isize) = *pgctr + .offset(mikl.wrapping_mul(j as u64).wrapping_add(3 as u64) as isize); + *pijkl.offset((ni * j + 4 as i32) as isize) = *pgctr + .offset(mikl.wrapping_mul(j as u64).wrapping_add(4 as u64) as isize); + *pijkl.offset((ni * j + 5 as i32) as isize) = *pgctr + .offset(mikl.wrapping_mul(j as u64).wrapping_add(5 as u64) as isize); + *pijkl.offset((ni * j + 6 as i32) as isize) = *pgctr + .offset(mikl.wrapping_mul(j as u64).wrapping_add(6 as u64) as isize); j += 1; j; } @@ -90823,25 +89981,19 @@ unsafe extern "C" fn dcopy_iklj( } } _ => { - l = 0 as i32; + l = 0; while l < ml { - k = 0 as i32; + k = 0; while k < mk { - pijkl = fijkl - .offset((k as u64).wrapping_mul(nij) as isize); + pijkl = fijkl.offset((k as u64).wrapping_mul(nij) as isize); pgctr = gctr.offset((k * mi) as isize); - j = 0 as i32; + j = 0; while j < mj { - i = 0 as i32; + i = 0; while i < mi { - *pijkl - .offset( - (ni * j + i) as isize, - ) = *pgctr - .offset( - mikl - .wrapping_mul(j as u64) - .wrapping_add(i as u64) as isize, + *pijkl.offset((ni * j + i) as isize) = + *pgctr.offset( + mikl.wrapping_mul(j as u64).wrapping_add(i as u64) as isize ); i += 1; i; @@ -90861,11 +90013,7 @@ unsafe extern "C" fn dcopy_iklj( }; } #[no_mangle] -pub unsafe extern "C" fn c2s_dset0( - mut out: *mut f64, - mut dims: *mut i32, - mut counts: *mut i32, -) { +pub unsafe extern "C" fn c2s_dset0(mut out: *mut f64, mut dims: *mut i32, mut counts: *mut i32) { let mut ni: i32 = *dims.offset(0 as isize); let mut nj: i32 = *dims.offset(1 as isize); let mut nk: i32 = *dims.offset(2 as isize); @@ -90876,11 +90024,8 @@ pub unsafe extern "C" fn c2s_dset0( let mut k: i32 = 0; let mut l: i32 = 0; if dims == counts { - i = 0 as i32; - while (i as u64) - < nijk - .wrapping_mul(*counts.offset(3 as isize) as u64) - { + i = 0; + while (i as u64) < nijk.wrapping_mul(*counts.offset(3 as isize) as u64) { *out.offset(i as isize) = 0 as f64; i += 1; i; @@ -90892,19 +90037,16 @@ pub unsafe extern "C" fn c2s_dset0( let mut dk: i32 = *counts.offset(2 as isize); let mut dl: i32 = *counts.offset(3 as isize); let mut pout: *mut f64 = 0 as *mut f64; - l = 0 as i32; + l = 0; while l < dl { - k = 0 as i32; + k = 0; while k < dk { pout = out.offset((k as u64).wrapping_mul(nij) as isize); - j = 0 as i32; + j = 0; while j < dj { - i = 0 as i32; + i = 0; while i < di { - *pout - .offset( - (j * ni + i) as isize, - ) = 0 as f64; + *pout.offset((j * ni + i) as isize) = 0 as f64; i += 1; i; } @@ -90952,7 +90094,7 @@ unsafe extern "C" fn sph2e_inner( match l { 0 | 1 => return gcart, 2 => { - n = 0 as i32; + n = 0; while n < ncall { d_ket_cart2spheric( gsph.offset((n * sizsph) as isize), @@ -90966,7 +90108,7 @@ unsafe extern "C" fn sph2e_inner( } } 3 => { - n = 0 as i32; + n = 0; while n < ncall { f_ket_cart2spheric( gsph.offset((n * sizsph) as isize), @@ -90980,7 +90122,7 @@ unsafe extern "C" fn sph2e_inner( } } 4 => { - n = 0 as i32; + n = 0; while n < ncall { g_ket_cart2spheric( gsph.offset((n * sizsph) as isize), @@ -90994,7 +90136,7 @@ unsafe extern "C" fn sph2e_inner( } } _ => { - n = 0 as i32; + n = 0; while n < ncall { a_ket_cart2spheric( gsph.offset((n * sizsph) as isize), @@ -91022,8 +90164,8 @@ pub unsafe fn c2s_sph_1e( let mut j_l: i32 = (*envs).j_l; let mut i_ctr: i32 = (*envs).x_ctr[0 as usize]; let mut j_ctr: i32 = (*envs).x_ctr[1 as usize]; - let mut di: i32 = i_l * 2 as i32 + 1 as i32; - let mut dj: i32 = j_l * 2 as i32 + 1 as i32; + let mut di: i32 = i_l * 2 + 1; + let mut dj: i32 = j_l * 2 + 1; let mut ni: i32 = *dims.offset(0 as isize); let mut nj: i32 = *dims.offset(1 as isize); let mut ofj: i32 = ni * dj; @@ -91034,26 +90176,22 @@ pub unsafe fn c2s_sph_1e( let mut buflen: i32 = nfi * dj; let mut buf1: *mut f64 = 0 as *mut f64; let mut buf2: *mut f64 = 0 as *mut f64; - buf1 = ((cache as uintptr_t).wrapping_add(7 as u64) - & (8 as uintptr_t).wrapping_neg()) as *mut libc::c_void - as *mut f64; + buf1 = ((cache as uintptr_t).wrapping_add(7 as u64) & (8 as uintptr_t).wrapping_neg()) + as *mut libc::c_void as *mut f64; cache = buf1.offset(buflen as isize); - buf2 = ((cache as uintptr_t).wrapping_add(7 as u64) - & (8 as uintptr_t).wrapping_neg()) as *mut libc::c_void - as *mut f64; + buf2 = ((cache as uintptr_t).wrapping_add(7 as u64) & (8 as uintptr_t).wrapping_neg()) + as *mut libc::c_void as *mut f64; cache = buf2.offset(buflen as isize); let mut pij: *mut f64 = 0 as *mut f64; let mut tmp1: *mut f64 = 0 as *mut f64; - jc = 0 as i32; + jc = 0; while jc < j_ctr { - ic = 0 as i32; + ic = 0; while ic < i_ctr { - tmp1 = (c2s_ket_sph[j_l as usize]) - .expect("non-null function pointer")(buf1, gctr, nfi, nfi, j_l); - tmp1 = ::core::mem::transmute::< - _, - fn(_, _, _, _) -> *mut f64, - >( + tmp1 = (c2s_ket_sph[j_l as usize]).expect("non-null function pointer")( + buf1, gctr, nfi, nfi, j_l, + ); + tmp1 = ::core::mem::transmute::<_, fn(_, _, _, _) -> *mut f64>( (c2s_bra_sph[i_l as usize]).expect("non-null function pointer"), )(buf2, dj, tmp1, i_l); pij = opij.offset((ofj * jc) as isize).offset((di * ic) as isize); @@ -91079,8 +90217,8 @@ pub unsafe fn c2s_sph_1e( // let mut j_l: i32 = (*envs).j_l; // let mut i_ctr: i32 = (*envs).x_ctr[0 as usize]; // let mut j_ctr: i32 = (*envs).x_ctr[1 as usize]; -// let mut di: i32 = i_l * 2 as i32 + 1 as i32; -// let mut dj: i32 = j_l * 2 as i32 + 1 as i32; +// let mut di: i32 = i_l * 2 + 1; +// let mut dj: i32 = j_l * 2 + 1; // let mut ni: i32 = *dims.offset(0 as isize); // let mut nj: i32 = *dims.offset(1 as isize); // let mut Ng: u64 = *dims.offset(2 as isize) as u64; @@ -91106,7 +90244,7 @@ pub unsafe fn c2s_sph_1e( // cache = buf2.offset(buflen as isize); // let mut pij: *mut f64 = 0 as *mut f64; // let mut tmp1: *mut f64 = 0 as *mut f64; -// grids_offset = 0 as i32; +// grids_offset = 0; // while grids_offset < ngrids { // bgrids = if ngrids - grids_offset < 104 as i32 { // ngrids - grids_offset @@ -91115,9 +90253,9 @@ pub unsafe fn c2s_sph_1e( // }; // bgrids_di = bgrids * di; // bgrids_nfi = bgrids * nfi; -// jc = 0 as i32; +// jc = 0; // while jc < j_ctr { -// ic = 0 as i32; +// ic = 0; // while ic < i_ctr { // tmp1 = (c2s_ket_sph[j_l as usize]) // .expect( @@ -91163,16 +90301,16 @@ pub unsafe fn c2s_sph_1e( // let mut grids_offset: i32 = 0; // let mut bgrids: i32 = 0; // let mut pij: *mut f64 = 0 as *mut f64; -// grids_offset = 0 as i32; +// grids_offset = 0; // while grids_offset < ngrids { // bgrids = if ngrids - grids_offset < 104 as i32 { // ngrids - grids_offset // } else { // 104 as i32 // }; -// jc = 0 as i32; +// jc = 0; // while jc < j_ctr { -// ic = 0 as i32; +// ic = 0; // while ic < i_ctr { // pij = out // .offset( @@ -91206,10 +90344,10 @@ pub unsafe extern "C" fn c2s_sph_2e1( let mut j_ctr: i32 = (*envs).x_ctr[1 as usize]; let mut k_ctr: i32 = (*envs).x_ctr[2 as usize]; let mut l_ctr: i32 = (*envs).x_ctr[3 as usize]; - let mut di: i32 = i_l * 2 as i32 + 1 as i32; - let mut dj: i32 = j_l * 2 as i32 + 1 as i32; - let mut dk: i32 = k_l * 2 as i32 + 1 as i32; - let mut dl: i32 = l_l * 2 as i32 + 1 as i32; + let mut di: i32 = i_l * 2 + 1; + let mut dj: i32 = j_l * 2 + 1; + let mut dk: i32 = k_l * 2 + 1; + let mut dl: i32 = l_l * 2 + 1; let mut ni: i32 = *dims.offset(0 as isize); let mut nj: i32 = *dims.offset(1 as isize); let mut nk: i32 = *dims.offset(2 as isize); @@ -91230,33 +90368,28 @@ pub unsafe extern "C" fn c2s_sph_2e1( let mut lc: i32 = 0; let mut buflen: i32 = nfikl * dj; let mut buf1: *mut f64 = 0 as *mut f64; - buf1 = ((cache as uintptr_t).wrapping_add(7 as u64) - & (8 as uintptr_t).wrapping_neg()) as *mut libc::c_void - as *mut f64; + buf1 = ((cache as uintptr_t).wrapping_add(7 as u64) & (8 as uintptr_t).wrapping_neg()) + as *mut libc::c_void as *mut f64; cache = buf1.offset((buflen * 4 as i32) as isize); let mut buf2: *mut f64 = buf1.offset(buflen as isize); let mut buf3: *mut f64 = buf2.offset(buflen as isize); let mut buf4: *mut f64 = buf3.offset(buflen as isize); let mut pout: *mut f64 = 0 as *mut f64; let mut tmp1: *mut f64 = 0 as *mut f64; - lc = 0 as i32; + lc = 0; while lc < l_ctr { - kc = 0 as i32; + kc = 0; while kc < k_ctr { - jc = 0 as i32; + jc = 0; while jc < j_ctr { - ic = 0 as i32; + ic = 0; while ic < i_ctr { - tmp1 = (c2s_ket_sph[j_l as usize]) - .expect( - "non-null function pointer", - )(buf1, gctr, nfikl, nfikl, j_l); + tmp1 = (c2s_ket_sph[j_l as usize]).expect("non-null function pointer")( + buf1, gctr, nfikl, nfikl, j_l, + ); tmp1 = sph2e_inner(buf2, tmp1, l_l, nfik, dj, nfik * dl, nfikl); tmp1 = sph2e_inner(buf3, tmp1, k_l, nfi, dlj, nfi * dk, nfik); - tmp1 = ::core::mem::transmute::< - _, - fn(_, _, _, _) -> *mut f64, - >( + tmp1 = ::core::mem::transmute::<_, fn(_, _, _, _) -> *mut f64>( (c2s_bra_sph[i_l as usize]).expect("non-null function pointer"), )(buf4, dk * dlj, tmp1, i_l); pout = out @@ -91323,7 +90456,7 @@ pub unsafe extern "C" fn c2s_sph_2e1( // & (8 as uintptr_t).wrapping_neg()) as *mut libc::c_void // as *mut f64; // cache = tmp1I.offset(buflen as isize); -// i = 0 as i32; +// i = 0; // while i < i_ctr * j_ctr * k_ctr * l_ctr { // a_bra_cart2spinor_sf( // tmp1R, @@ -91338,7 +90471,7 @@ pub unsafe extern "C" fn c2s_sph_2e1( // ); // a_ket_cart2spinor(opij, opij.offset(no as isize), tmp1R, tmp1I, d_i, j_kp, j_l); // gctr = gctr.offset(nf as isize); -// opij = opij.offset((no * 2 as i32) as isize); +// opij = opij.offset((no * 2) as isize); // i += 1; // i; // } @@ -91387,7 +90520,7 @@ pub unsafe extern "C" fn c2s_sph_2e1( // & (8 as uintptr_t).wrapping_neg()) as *mut libc::c_void // as *mut f64; // cache = tmp1I.offset(len1 as isize); -// i = 0 as i32; +// i = 0; // while i < i_ctr * j_ctr * k_ctr * l_ctr { // a_bra_cart2spinor_sf( // tmp1R, @@ -91402,7 +90535,7 @@ pub unsafe extern "C" fn c2s_sph_2e1( // ); // a_iket_cart2spinor(opij, opij.offset(no as isize), tmp1R, tmp1I, d_i, j_kp, j_l); // gctr = gctr.offset(nf as isize); -// opij = opij.offset((no * 2 as i32) as isize); +// opij = opij.offset((no * 2) as isize); // i += 1; // i; // } @@ -91460,7 +90593,7 @@ pub unsafe extern "C" fn c2s_sph_2e1( // & (8 as uintptr_t).wrapping_neg()) as *mut libc::c_void // as *mut f64; // cache = tmp1I.offset(len1 as isize); -// i = 0 as i32; +// i = 0; // while i < i_ctr * j_ctr * k_ctr * l_ctr { // a_bra_cart2spinor_si(tmp1R, tmp1I, gc_x, gc_y, gc_z, gc_1, d_j, i_kp, i_l); // a_ket_cart2spinor(opij, opij.offset(no as isize), tmp1R, tmp1I, d_i, j_kp, j_l); @@ -91468,7 +90601,7 @@ pub unsafe extern "C" fn c2s_sph_2e1( // gc_y = gc_y.offset(nf as isize); // gc_z = gc_z.offset(nf as isize); // gc_1 = gc_1.offset(nf as isize); -// opij = opij.offset((no * 2 as i32) as isize); +// opij = opij.offset((no * 2) as isize); // i += 1; // i; // } @@ -91526,7 +90659,7 @@ pub unsafe extern "C" fn c2s_sph_2e1( // & (8 as uintptr_t).wrapping_neg()) as *mut libc::c_void // as *mut f64; // cache = tmp1I.offset(len1 as isize); -// i = 0 as i32; +// i = 0; // while i < i_ctr * j_ctr * k_ctr * l_ctr { // a_bra_cart2spinor_si(tmp1R, tmp1I, gc_x, gc_y, gc_z, gc_1, d_j, i_kp, i_l); // a_iket_cart2spinor(opij, opij.offset(no as isize), tmp1R, tmp1I, d_i, j_kp, j_l); @@ -91534,7 +90667,7 @@ pub unsafe extern "C" fn c2s_sph_2e1( // gc_y = gc_y.offset(nf as isize); // gc_z = gc_z.offset(nf as isize); // gc_1 = gc_1.offset(nf as isize); -// opij = opij.offset((no * 2 as i32) as isize); +// opij = opij.offset((no * 2) as isize); // i += 1; // i; // } @@ -91558,9 +90691,9 @@ pub unsafe fn c2s_cart_1e( let mut ic: i32 = 0; let mut jc: i32 = 0; let mut popij: *mut f64 = 0 as *mut f64; - jc = 0 as i32; + jc = 0; while jc < j_ctr { - ic = 0 as i32; + ic = 0; while ic < i_ctr { popij = opij.offset((ofj * jc) as isize).offset((nfi * ic) as isize); dcopy_ij(popij, gctr, ni, nj, nfi, nfj); @@ -91601,13 +90734,13 @@ pub unsafe extern "C" fn c2s_cart_2e1( let mut kc: i32 = 0; let mut lc: i32 = 0; let mut pfijkl: *mut f64 = 0 as *mut f64; - lc = 0 as i32; + lc = 0; while lc < l_ctr { - kc = 0 as i32; + kc = 0; while kc < k_ctr { - jc = 0 as i32; + jc = 0; while jc < j_ctr { - ic = 0 as i32; + ic = 0; while ic < i_ctr { pfijkl = fijkl .offset((ofl * lc) as isize) @@ -91645,9 +90778,9 @@ pub unsafe extern "C" fn c2s_cart_2e1( // let mut i_ctr: i32 = (*envs).x_ctr[0 as usize]; // let mut j_ctr: i32 = (*envs).x_ctr[1 as usize]; // let mut k_ctr: i32 = (*envs).x_ctr[2 as usize]; -// let mut di: i32 = i_l * 2 as i32 + 1 as i32; -// let mut dj: i32 = j_l * 2 as i32 + 1 as i32; -// let mut dk: i32 = k_l * 2 as i32 + 1 as i32; +// let mut di: i32 = i_l * 2 + 1; +// let mut dj: i32 = j_l * 2 + 1; +// let mut dk: i32 = k_l * 2 + 1; // let mut ni: i32 = *dims.offset(0 as isize); // let mut nj: i32 = *dims.offset(1 as isize); // let mut nk: i32 = *dims.offset(2 as isize); @@ -91665,16 +90798,16 @@ pub unsafe extern "C" fn c2s_cart_2e1( // buf1 = ((cache as uintptr_t).wrapping_add(7 as u64) // & (8 as uintptr_t).wrapping_neg()) as *mut libc::c_void // as *mut f64; -// cache = buf1.offset((buflen * 3 as i32) as isize); +// cache = buf1.offset((buflen * 3) as isize); // let mut buf2: *mut f64 = buf1.offset(buflen as isize); // let mut buf3: *mut f64 = buf2.offset(buflen as isize); // let mut pijk: *mut f64 = 0 as *mut f64; // let mut tmp1: *mut f64 = 0 as *mut f64; -// kc = 0 as i32; +// kc = 0; // while kc < k_ctr { -// jc = 0 as i32; +// jc = 0; // while jc < j_ctr { -// ic = 0 as i32; +// ic = 0; // while ic < i_ctr { // tmp1 = (c2s_ket_sph[j_l as usize]) // .expect("non-null function pointer")(buf1, gctr, nfik, nfik, j_l); @@ -91695,11 +90828,11 @@ pub unsafe extern "C" fn c2s_cart_2e1( // ni, // nj, // nk, -// 1 as i32, +// 1, // di, // dj, // dk, -// 1 as i32, +// 1, // ); // gctr = gctr.offset(nf as isize); // ic += 1; @@ -91736,11 +90869,11 @@ pub unsafe extern "C" fn c2s_cart_2e1( // let mut jc: i32 = 0; // let mut kc: i32 = 0; // let mut pijk: *mut f64 = 0 as *mut f64; -// kc = 0 as i32; +// kc = 0; // while kc < k_ctr { -// jc = 0 as i32; +// jc = 0; // while jc < j_ctr { -// ic = 0 as i32; +// ic = 0; // while ic < i_ctr { // pijk = bufijk // .offset((ofk * kc) as isize) @@ -91752,11 +90885,11 @@ pub unsafe extern "C" fn c2s_cart_2e1( // ni, // nj, // nk, -// 1 as i32, +// 1, // nfi, // nfj, // nfk, -// 1 as i32, +// 1, // ); // gctr = gctr.offset(nf as isize); // ic += 1; @@ -91782,8 +90915,8 @@ pub unsafe extern "C" fn c2s_cart_2e1( // let mut i_ctr: i32 = (*envs).x_ctr[0 as usize]; // let mut j_ctr: i32 = (*envs).x_ctr[1 as usize]; // let mut k_ctr: i32 = (*envs).x_ctr[2 as usize]; -// let mut di: i32 = i_l * 2 as i32 + 1 as i32; -// let mut dj: i32 = j_l * 2 as i32 + 1 as i32; +// let mut di: i32 = i_l * 2 + 1; +// let mut dj: i32 = j_l * 2 + 1; // let mut nfi: i32 = (*envs).nfi; // let mut nfk: i32 = (*envs).c2rust_unnamed.nfk; // let mut ni: i32 = di * i_ctr; @@ -91809,11 +90942,11 @@ pub unsafe extern "C" fn c2s_cart_2e1( // cache = buf2.offset(buflen as isize); // let mut pijk: *mut f64 = 0 as *mut f64; // let mut tmp1: *mut f64 = 0 as *mut f64; -// kc = 0 as i32; +// kc = 0; // while kc < k_ctr { -// jc = 0 as i32; +// jc = 0; // while jc < j_ctr { -// ic = 0 as i32; +// ic = 0; // while ic < i_ctr { // tmp1 = (c2s_ket_sph[j_l as usize]) // .expect("non-null function pointer")(buf1, gctr, nfik, nfik, j_l); @@ -91833,11 +90966,11 @@ pub unsafe extern "C" fn c2s_cart_2e1( // ni, // nj, // nk, -// 1 as i32, +// 1, // di, // dj, // nfk, -// 1 as i32, +// 1, // ); // gctr = gctr.offset(nf as isize); // ic += 1; @@ -91912,9 +91045,9 @@ pub unsafe extern "C" fn c2s_cart_2e1( // mut gcart: *mut f64, // mut l: i32, // ) -> *mut f64 { -// let mut nf: i32 = (l + 1 as i32) * (l + 2 as i32) -// / 2 as i32; -// let mut nd: i32 = l * 2 as i32 + 1 as i32; +// let mut nf: i32 = (l + 1) * (l + 2) +// / 2; +// let mut nd: i32 = l * 2 + 1; // CINTdgemm_NN1(nf, nket, nd, g_c2s[l as usize].cart2sph, gsph, gcart, nf); // return gcart; // } @@ -91925,9 +91058,9 @@ pub unsafe extern "C" fn c2s_cart_2e1( // mut gcart: *mut f64, // mut l: i32, // ) -> *mut f64 { -// let mut nf: i32 = (l + 1 as i32) * (l + 2 as i32) -// / 2 as i32; -// let mut nd: i32 = l * 2 as i32 + 1 as i32; +// let mut nf: i32 = (l + 1) * (l + 2) +// / 2; +// let mut nd: i32 = l * 2 + 1; // CINTdgemm_NT(nbra, nf, nd, gsph, g_c2s[l as usize].cart2sph, gcart); // return gcart; // } @@ -91945,249 +91078,127 @@ unsafe extern "C" fn run_static_initializers() { }, { let mut init = cart2sp_t { - cart2sph: g_trans_cart2sph - .as_mut_ptr() - .offset(1 as isize), - cart2j_lt_lR: g_trans_cart2jR - .as_mut_ptr() - .offset(4 as isize), - cart2j_lt_lI: g_trans_cart2jI - .as_mut_ptr() - .offset(4 as isize), - cart2j_gt_lR: g_trans_cart2jR - .as_mut_ptr() - .offset(16 as isize), - cart2j_gt_lI: g_trans_cart2jI - .as_mut_ptr() - .offset(16 as isize), + cart2sph: g_trans_cart2sph.as_mut_ptr().offset(1 as isize), + cart2j_lt_lR: g_trans_cart2jR.as_mut_ptr().offset(4 as isize), + cart2j_lt_lI: g_trans_cart2jI.as_mut_ptr().offset(4 as isize), + cart2j_gt_lR: g_trans_cart2jR.as_mut_ptr().offset(16 as isize), + cart2j_gt_lI: g_trans_cart2jI.as_mut_ptr().offset(16 as isize), }; init }, { let mut init = cart2sp_t { - cart2sph: g_trans_cart2sph - .as_mut_ptr() - .offset(10 as isize), - cart2j_lt_lR: g_trans_cart2jR - .as_mut_ptr() - .offset(40 as isize), - cart2j_lt_lI: g_trans_cart2jI - .as_mut_ptr() - .offset(40 as isize), - cart2j_gt_lR: g_trans_cart2jR - .as_mut_ptr() - .offset(88 as isize), - cart2j_gt_lI: g_trans_cart2jI - .as_mut_ptr() - .offset(88 as isize), + cart2sph: g_trans_cart2sph.as_mut_ptr().offset(10 as isize), + cart2j_lt_lR: g_trans_cart2jR.as_mut_ptr().offset(40 as isize), + cart2j_lt_lI: g_trans_cart2jI.as_mut_ptr().offset(40 as isize), + cart2j_gt_lR: g_trans_cart2jR.as_mut_ptr().offset(88 as isize), + cart2j_gt_lI: g_trans_cart2jI.as_mut_ptr().offset(88 as isize), }; init }, { let mut init = cart2sp_t { - cart2sph: g_trans_cart2sph - .as_mut_ptr() - .offset(40 as isize), - cart2j_lt_lR: g_trans_cart2jR - .as_mut_ptr() - .offset(160 as isize), - cart2j_lt_lI: g_trans_cart2jI - .as_mut_ptr() - .offset(160 as isize), - cart2j_gt_lR: g_trans_cart2jR - .as_mut_ptr() - .offset(280 as isize), - cart2j_gt_lI: g_trans_cart2jI - .as_mut_ptr() - .offset(280 as isize), + cart2sph: g_trans_cart2sph.as_mut_ptr().offset(40 as isize), + cart2j_lt_lR: g_trans_cart2jR.as_mut_ptr().offset(160 as isize), + cart2j_lt_lI: g_trans_cart2jI.as_mut_ptr().offset(160 as isize), + cart2j_gt_lR: g_trans_cart2jR.as_mut_ptr().offset(280 as isize), + cart2j_gt_lI: g_trans_cart2jI.as_mut_ptr().offset(280 as isize), }; init }, { let mut init = cart2sp_t { - cart2sph: g_trans_cart2sph - .as_mut_ptr() - .offset(110 as isize), - cart2j_lt_lR: g_trans_cart2jR - .as_mut_ptr() - .offset(440 as isize), - cart2j_lt_lI: g_trans_cart2jI - .as_mut_ptr() - .offset(440 as isize), - cart2j_gt_lR: g_trans_cart2jR - .as_mut_ptr() - .offset(680 as isize), - cart2j_gt_lI: g_trans_cart2jI - .as_mut_ptr() - .offset(680 as isize), + cart2sph: g_trans_cart2sph.as_mut_ptr().offset(110 as isize), + cart2j_lt_lR: g_trans_cart2jR.as_mut_ptr().offset(440 as isize), + cart2j_lt_lI: g_trans_cart2jI.as_mut_ptr().offset(440 as isize), + cart2j_gt_lR: g_trans_cart2jR.as_mut_ptr().offset(680 as isize), + cart2j_gt_lI: g_trans_cart2jI.as_mut_ptr().offset(680 as isize), }; init }, { let mut init = cart2sp_t { - cart2sph: g_trans_cart2sph - .as_mut_ptr() - .offset(245 as isize), - cart2j_lt_lR: g_trans_cart2jR - .as_mut_ptr() - .offset(980 as isize), - cart2j_lt_lI: g_trans_cart2jI - .as_mut_ptr() - .offset(980 as isize), - cart2j_gt_lR: g_trans_cart2jR - .as_mut_ptr() - .offset(1400 as isize), - cart2j_gt_lI: g_trans_cart2jI - .as_mut_ptr() - .offset(1400 as isize), + cart2sph: g_trans_cart2sph.as_mut_ptr().offset(245 as isize), + cart2j_lt_lR: g_trans_cart2jR.as_mut_ptr().offset(980 as isize), + cart2j_lt_lI: g_trans_cart2jI.as_mut_ptr().offset(980 as isize), + cart2j_gt_lR: g_trans_cart2jR.as_mut_ptr().offset(1400 as isize), + cart2j_gt_lI: g_trans_cart2jI.as_mut_ptr().offset(1400 as isize), }; init }, { let mut init = cart2sp_t { - cart2sph: g_trans_cart2sph - .as_mut_ptr() - .offset(476 as isize), - cart2j_lt_lR: g_trans_cart2jR - .as_mut_ptr() - .offset(1904 as isize), - cart2j_lt_lI: g_trans_cart2jI - .as_mut_ptr() - .offset(1904 as isize), - cart2j_gt_lR: g_trans_cart2jR - .as_mut_ptr() - .offset(2576 as isize), - cart2j_gt_lI: g_trans_cart2jI - .as_mut_ptr() - .offset(2576 as isize), + cart2sph: g_trans_cart2sph.as_mut_ptr().offset(476 as isize), + cart2j_lt_lR: g_trans_cart2jR.as_mut_ptr().offset(1904 as isize), + cart2j_lt_lI: g_trans_cart2jI.as_mut_ptr().offset(1904 as isize), + cart2j_gt_lR: g_trans_cart2jR.as_mut_ptr().offset(2576 as isize), + cart2j_gt_lI: g_trans_cart2jI.as_mut_ptr().offset(2576 as isize), }; init }, { let mut init = cart2sp_t { - cart2sph: g_trans_cart2sph - .as_mut_ptr() - .offset(840 as isize), - cart2j_lt_lR: g_trans_cart2jR - .as_mut_ptr() - .offset(3360 as isize), - cart2j_lt_lI: g_trans_cart2jI - .as_mut_ptr() - .offset(3360 as isize), - cart2j_gt_lR: g_trans_cart2jR - .as_mut_ptr() - .offset(4368 as isize), - cart2j_gt_lI: g_trans_cart2jI - .as_mut_ptr() - .offset(4368 as isize), + cart2sph: g_trans_cart2sph.as_mut_ptr().offset(840 as isize), + cart2j_lt_lR: g_trans_cart2jR.as_mut_ptr().offset(3360 as isize), + cart2j_lt_lI: g_trans_cart2jI.as_mut_ptr().offset(3360 as isize), + cart2j_gt_lR: g_trans_cart2jR.as_mut_ptr().offset(4368 as isize), + cart2j_gt_lI: g_trans_cart2jI.as_mut_ptr().offset(4368 as isize), }; init }, { let mut init = cart2sp_t { - cart2sph: g_trans_cart2sph - .as_mut_ptr() - .offset(1380 as isize), - cart2j_lt_lR: g_trans_cart2jR - .as_mut_ptr() - .offset(5520 as isize), - cart2j_lt_lI: g_trans_cart2jI - .as_mut_ptr() - .offset(5520 as isize), - cart2j_gt_lR: g_trans_cart2jR - .as_mut_ptr() - .offset(6960 as isize), - cart2j_gt_lI: g_trans_cart2jI - .as_mut_ptr() - .offset(6960 as isize), + cart2sph: g_trans_cart2sph.as_mut_ptr().offset(1380 as isize), + cart2j_lt_lR: g_trans_cart2jR.as_mut_ptr().offset(5520 as isize), + cart2j_lt_lI: g_trans_cart2jI.as_mut_ptr().offset(5520 as isize), + cart2j_gt_lR: g_trans_cart2jR.as_mut_ptr().offset(6960 as isize), + cart2j_gt_lI: g_trans_cart2jI.as_mut_ptr().offset(6960 as isize), }; init }, { let mut init = cart2sp_t { - cart2sph: g_trans_cart2sph - .as_mut_ptr() - .offset(2145 as isize), - cart2j_lt_lR: g_trans_cart2jR - .as_mut_ptr() - .offset(8580 as isize), - cart2j_lt_lI: g_trans_cart2jI - .as_mut_ptr() - .offset(8580 as isize), - cart2j_gt_lR: g_trans_cart2jR - .as_mut_ptr() - .offset(10560 as isize), - cart2j_gt_lI: g_trans_cart2jI - .as_mut_ptr() - .offset(10560 as isize), + cart2sph: g_trans_cart2sph.as_mut_ptr().offset(2145 as isize), + cart2j_lt_lR: g_trans_cart2jR.as_mut_ptr().offset(8580 as isize), + cart2j_lt_lI: g_trans_cart2jI.as_mut_ptr().offset(8580 as isize), + cart2j_gt_lR: g_trans_cart2jR.as_mut_ptr().offset(10560 as isize), + cart2j_gt_lI: g_trans_cart2jI.as_mut_ptr().offset(10560 as isize), }; init }, { let mut init = cart2sp_t { - cart2sph: g_trans_cart2sph - .as_mut_ptr() - .offset(3190 as isize), - cart2j_lt_lR: g_trans_cart2jR - .as_mut_ptr() - .offset(12760 as isize), - cart2j_lt_lI: g_trans_cart2jI - .as_mut_ptr() - .offset(12760 as isize), - cart2j_gt_lR: g_trans_cart2jR - .as_mut_ptr() - .offset(15400 as isize), - cart2j_gt_lI: g_trans_cart2jI - .as_mut_ptr() - .offset(15400 as isize), + cart2sph: g_trans_cart2sph.as_mut_ptr().offset(3190 as isize), + cart2j_lt_lR: g_trans_cart2jR.as_mut_ptr().offset(12760 as isize), + cart2j_lt_lI: g_trans_cart2jI.as_mut_ptr().offset(12760 as isize), + cart2j_gt_lR: g_trans_cart2jR.as_mut_ptr().offset(15400 as isize), + cart2j_gt_lI: g_trans_cart2jI.as_mut_ptr().offset(15400 as isize), }; init }, { let mut init = cart2sp_t { - cart2sph: g_trans_cart2sph - .as_mut_ptr() - .offset(4576 as isize), - cart2j_lt_lR: g_trans_cart2jR - .as_mut_ptr() - .offset(18304 as isize), - cart2j_lt_lI: g_trans_cart2jI - .as_mut_ptr() - .offset(18304 as isize), - cart2j_gt_lR: g_trans_cart2jR - .as_mut_ptr() - .offset(21736 as isize), - cart2j_gt_lI: g_trans_cart2jI - .as_mut_ptr() - .offset(21736 as isize), + cart2sph: g_trans_cart2sph.as_mut_ptr().offset(4576 as isize), + cart2j_lt_lR: g_trans_cart2jR.as_mut_ptr().offset(18304 as isize), + cart2j_lt_lI: g_trans_cart2jI.as_mut_ptr().offset(18304 as isize), + cart2j_gt_lR: g_trans_cart2jR.as_mut_ptr().offset(21736 as isize), + cart2j_gt_lI: g_trans_cart2jI.as_mut_ptr().offset(21736 as isize), }; init }, { let mut init = cart2sp_t { - cart2sph: g_trans_cart2sph - .as_mut_ptr() - .offset(6370 as isize), - cart2j_lt_lR: g_trans_cart2jR - .as_mut_ptr() - .offset(25480 as isize), - cart2j_lt_lI: g_trans_cart2jI - .as_mut_ptr() - .offset(25480 as isize), - cart2j_gt_lR: g_trans_cart2jR - .as_mut_ptr() - .offset(29848 as isize), - cart2j_gt_lI: g_trans_cart2jI - .as_mut_ptr() - .offset(29848 as isize), + cart2sph: g_trans_cart2sph.as_mut_ptr().offset(6370 as isize), + cart2j_lt_lR: g_trans_cart2jR.as_mut_ptr().offset(25480 as isize), + cart2j_lt_lI: g_trans_cart2jI.as_mut_ptr().offset(25480 as isize), + cart2j_gt_lR: g_trans_cart2jR.as_mut_ptr().offset(29848 as isize), + cart2j_gt_lI: g_trans_cart2jI.as_mut_ptr().offset(29848 as isize), }; init }, { let mut init = cart2sp_t { - cart2sph: g_trans_cart2sph - .as_mut_ptr() - .offset(8645 as isize), + cart2sph: g_trans_cart2sph.as_mut_ptr().offset(8645 as isize), cart2j_lt_lR: 0 as *mut f64, cart2j_lt_lI: 0 as *mut f64, cart2j_gt_lR: 0 as *mut f64, @@ -92197,9 +91208,7 @@ unsafe extern "C" fn run_static_initializers() { }, { let mut init = cart2sp_t { - cart2sph: g_trans_cart2sph - .as_mut_ptr() - .offset(11480 as isize), + cart2sph: g_trans_cart2sph.as_mut_ptr().offset(11480 as isize), cart2j_lt_lR: 0 as *mut f64, cart2j_lt_lI: 0 as *mut f64, cart2j_gt_lR: 0 as *mut f64, @@ -92209,9 +91218,7 @@ unsafe extern "C" fn run_static_initializers() { }, { let mut init = cart2sp_t { - cart2sph: g_trans_cart2sph - .as_mut_ptr() - .offset(14960 as isize), + cart2sph: g_trans_cart2sph.as_mut_ptr().offset(14960 as isize), cart2j_lt_lR: 0 as *mut f64, cart2j_lt_lI: 0 as *mut f64, cart2j_gt_lR: 0 as *mut f64, diff --git a/src/cint.rs b/src/cint.rs index b3a5a5c..6d61a2e 100644 --- a/src/cint.rs +++ b/src/cint.rs @@ -1,4 +1,12 @@ -#![allow(dead_code, mutable_transmutes, non_camel_case_types, non_snake_case, non_upper_case_globals, unused_assignments, unused_mut)] +#![allow( + dead_code, + mutable_transmutes, + non_camel_case_types, + non_snake_case, + non_upper_case_globals, + unused_assignments, + unused_mut +)] #[derive(Copy, Clone)] #[repr(C)] @@ -65,9 +73,9 @@ pub struct CINTEnvVars { pub rj: *mut f64, pub rk: *mut f64, pub c2rust_unnamed_1: C2RustUnnamed, - pub f_g0_2e: Option:: i32>, - pub f_g0_2d4d: Option:: ()>, - pub f_gout: Option:: ()>, + pub f_g0_2e: Option i32>, + pub f_g0_2d4d: Option ()>, + pub f_gout: Option ()>, pub opt: *mut CINTOpt, //pub idx: *const i32, pub ai: [f64; 1], // mut @@ -102,65 +110,63 @@ pub union C2RustUnnamed_1 { impl CINTEnvVars { pub fn new() -> Self { - let mut envs: CINTEnvVars = CINTEnvVars { - atm: 0 as *mut i32, - bas: 0 as *mut i32, - env: 0 as *mut f64, - shls: 0 as *mut i32, - natm: 0, - nbas: 0, - i_l: 0, - j_l: 0, - k_l: 0, - l_l: 0, - nfi: 0, - nfj: 0, - c2rust_unnamed: C2RustUnnamed_1 { nfk: 0 }, - c2rust_unnamed_0: C2RustUnnamed_0 { nfl: 0 }, - nf: 0, - rys_order: 0, - x_ctr: [0; 4], - gbits: 0, - ncomp_e1: 0, - ncomp_e2: 0, - ncomp_tensor: 0, - li_ceil: 0, - lj_ceil: 0, - lk_ceil: 0, - ll_ceil: 0, - g_stride_i: 0, - g_stride_k: 0, - g_stride_l: 0, - g_stride_j: 0, - nrys_roots: 0, - g_size: 0, - g2d_ijmax: 0, - g2d_klmax: 0, - common_factor: 0., - expcutoff: 0., - rirj: [0.; 3], - rkrl: [0.; 3], - rx_in_rijrx: 0 as *mut f64, - rx_in_rklrx: 0 as *mut f64, - ri: 0 as *mut f64, - rj: 0 as *mut f64, - rk: 0 as *mut f64, - c2rust_unnamed_1: C2RustUnnamed { - rl: 0 as *mut f64, - }, - f_g0_2e: None, - f_g0_2d4d: None, - f_gout: None, - opt: 0 as *mut CINTOpt, - //idx: 0 as *const i32, - ai: [0.; 1], - aj: [0.; 1], - ak: [0.; 1], - al: [0.; 1], - fac: [0.; 1], - rij: [0.; 3], - rkl: [0.; 3], - }; - envs + let mut envs: CINTEnvVars = CINTEnvVars { + atm: 0 as *mut i32, + bas: 0 as *mut i32, + env: 0 as *mut f64, + shls: 0 as *mut i32, + natm: 0, + nbas: 0, + i_l: 0, + j_l: 0, + k_l: 0, + l_l: 0, + nfi: 0, + nfj: 0, + c2rust_unnamed: C2RustUnnamed_1 { nfk: 0 }, + c2rust_unnamed_0: C2RustUnnamed_0 { nfl: 0 }, + nf: 0, + rys_order: 0, + x_ctr: [0; 4], + gbits: 0, + ncomp_e1: 0, + ncomp_e2: 0, + ncomp_tensor: 0, + li_ceil: 0, + lj_ceil: 0, + lk_ceil: 0, + ll_ceil: 0, + g_stride_i: 0, + g_stride_k: 0, + g_stride_l: 0, + g_stride_j: 0, + nrys_roots: 0, + g_size: 0, + g2d_ijmax: 0, + g2d_klmax: 0, + common_factor: 0., + expcutoff: 0., + rirj: [0.; 3], + rkrl: [0.; 3], + rx_in_rijrx: 0 as *mut f64, + rx_in_rklrx: 0 as *mut f64, + ri: 0 as *mut f64, + rj: 0 as *mut f64, + rk: 0 as *mut f64, + c2rust_unnamed_1: C2RustUnnamed { rl: 0 as *mut f64 }, + f_g0_2e: None, + f_g0_2d4d: None, + f_gout: None, + opt: 0 as *mut CINTOpt, + //idx: 0 as *const i32, + ai: [0.; 1], + aj: [0.; 1], + ak: [0.; 1], + al: [0.; 1], + fac: [0.; 1], + rij: [0.; 3], + rkl: [0.; 3], + }; + envs } } diff --git a/src/cint1e.rs b/src/cint1e.rs index 563318c..d70d311 100644 --- a/src/cint1e.rs +++ b/src/cint1e.rs @@ -1,23 +1,31 @@ -#![allow(dead_code, mutable_transmutes, non_camel_case_types, non_snake_case, non_upper_case_globals, unused_assignments, unused_mut)] +#![allow( + dead_code, + mutable_transmutes, + non_camel_case_types, + non_snake_case, + non_upper_case_globals, + unused_assignments, + unused_mut +)] -use crate::optimizer::CINTOpt_log_max_pgto_coeff; -use crate::optimizer::CINTOpt_non0coeff_byshell; -use crate::optimizer::CINTset_pairdata; -use crate::g1e::CINTinit_int1e_EnvVars; +use crate::cart2sph::c2s_cart_1e; +use crate::cart2sph::c2s_dset0; +use crate::cart2sph::c2s_sph_1e; +use crate::fblas::CINTdmat_transpose; +use crate::g1e::CINTcommon_fac_sp; use crate::g1e::CINTg1e_index_xyz; -use crate::g1e::CINTg1e_ovlp; use crate::g1e::CINTg1e_nuc; -use crate::g1e::CINTcommon_fac_sp; +use crate::g1e::CINTg1e_ovlp; +use crate::g1e::CINTinit_int1e_EnvVars; use crate::g1e::CINTprim_to_ctr_0; use crate::g1e::CINTprim_to_ctr_1; -use crate::fblas::CINTdmat_transpose; -use crate::cart2sph::c2s_sph_1e; -use crate::cart2sph::c2s_cart_1e; -use crate::cart2sph::c2s_dset0; +use crate::optimizer::CINTOpt_log_max_pgto_coeff; +use crate::optimizer::CINTOpt_non0coeff_byshell; +use crate::optimizer::CINTset_pairdata; -use crate::cint::PairData; -use crate::cint::CINTOpt; use crate::cint::CINTEnvVars; +use crate::cint::CINTOpt; +use crate::cint::PairData; pub type uintptr_t = u64; @@ -40,36 +48,20 @@ pub unsafe fn CINT1e_loop( let j_sh: i32 = *shls.offset(1 as isize); let i_ctr: i32 = (*envs).x_ctr[0 as usize]; let j_ctr: i32 = (*envs).x_ctr[1 as usize]; - let i_prim: i32 = *bas - .offset((8 as i32 * i_sh + 2) as isize); - let j_prim: i32 = *bas - .offset((8 as i32 * j_sh + 2) as isize); - let ai: *const f64 = env - .offset( - *bas.offset((8 as i32 * i_sh + 5 as i32) as isize) as isize, - ); - let aj: *const f64 = env - .offset( - *bas.offset((8 as i32 * j_sh + 5 as i32) as isize) as isize, - ); - let ci: *const f64 = env - .offset( - *bas.offset((8 as i32 * i_sh + 6 as i32) as isize) as isize, - ); - let cj: *const f64 = env - .offset( - *bas.offset((8 as i32 * j_sh + 6 as i32) as isize) as isize, - ); + let i_prim: i32 = *bas.offset((8 * i_sh + 2) as isize); + let j_prim: i32 = *bas.offset((8 * j_sh + 2) as isize); + let ai: *const f64 = env.offset(*bas.offset((8 * i_sh + 5) as isize) as isize); + let aj: *const f64 = env.offset(*bas.offset((8 * j_sh + 5) as isize) as isize); + let ci: *const f64 = env.offset(*bas.offset((8 * i_sh + 6) as isize) as isize); + let cj: *const f64 = env.offset(*bas.offset((8 * j_sh + 6) as isize) as isize); let n_comp: i32 = (*envs).ncomp_e1 * (*envs).ncomp_tensor; let expcutoff: f64 = (*envs).expcutoff; //let mut pdata_ij: *mut PairData = 0 as *mut PairData; - let log_maxci = ((cache as uintptr_t).wrapping_add(7 as u64) - & (8 as uintptr_t).wrapping_neg()) as *mut libc::c_void - as *mut f64; + let log_maxci = ((cache as uintptr_t).wrapping_add(7 as u64) & (8 as uintptr_t).wrapping_neg()) + as *mut libc::c_void as *mut f64; cache = log_maxci.offset((i_prim + j_prim) as isize); - let pdata_base = ((cache as uintptr_t).wrapping_add(7 as u64) - & (8 as uintptr_t).wrapping_neg()) as *mut libc::c_void - as *mut PairData; + let pdata_base = ((cache as uintptr_t).wrapping_add(7 as u64) & (8 as uintptr_t).wrapping_neg()) + as *mut libc::c_void as *mut PairData; cache = pdata_base.offset((i_prim * j_prim) as isize) as *mut f64; let log_maxcj = log_maxci.offset(i_prim as isize); CINTOpt_log_max_pgto_coeff(log_maxci, ci, i_prim, i_ctr); @@ -87,10 +79,8 @@ pub unsafe fn CINT1e_loop( i_prim, j_prim, (*envs).rirj[0 as usize] * (*envs).rirj[0 as usize] - + (*envs).rirj[1 as usize] - * (*envs).rirj[1 as usize] - + (*envs).rirj[2 as usize] - * (*envs).rirj[2 as usize], + + (*envs).rirj[1 as usize] * (*envs).rirj[1 as usize] + + (*envs).rirj[2 as usize] * (*envs).rirj[2 as usize], expcutoff, env, ) != 0 @@ -98,44 +88,30 @@ pub unsafe fn CINT1e_loop( return 0; } let mut fac1j: f64 = 0.; - let mut empty: [i32; 4] = [ - 1, - 1, - 1, - 1, - ]; - let mut gempty: *mut i32 = empty - .as_mut_ptr() - .offset(0 as isize); - let mut iempty: *mut i32 = empty - .as_mut_ptr() - .offset(1 as isize); - let mut jempty: *mut i32 = empty - .as_mut_ptr() - .offset(2 as isize); + let mut empty: [i32; 4] = [1, 1, 1, 1]; + let mut gempty: *mut i32 = empty.as_mut_ptr().offset(0 as isize); + let mut iempty: *mut i32 = empty.as_mut_ptr().offset(1 as isize); + let mut jempty: *mut i32 = empty.as_mut_ptr().offset(2 as isize); let mut idx: *mut i32 = 0 as *mut i32; - idx = ((cache as uintptr_t).wrapping_add(7 as u64) - & (8 as uintptr_t).wrapping_neg()) as *mut libc::c_void - as *mut i32; + idx = ((cache as uintptr_t).wrapping_add(7 as u64) & (8 as uintptr_t).wrapping_neg()) + as *mut libc::c_void as *mut i32; cache = idx.offset(((*envs).nf * 3) as isize) as *mut f64; CINTg1e_index_xyz(idx, &*envs); let mut non0ctri: *mut i32 = 0 as *mut i32; let mut non0ctrj: *mut i32 = 0 as *mut i32; let mut non0idxi: *mut i32 = 0 as *mut i32; let mut non0idxj: *mut i32 = 0 as *mut i32; - non0ctri = ((cache as uintptr_t).wrapping_add(7 as u64) - & (8 as uintptr_t).wrapping_neg()) as *mut libc::c_void - as *mut i32; - cache = non0ctri.offset((i_prim + j_prim + i_prim * i_ctr + j_prim * j_ctr) as isize) - as *mut f64; + non0ctri = ((cache as uintptr_t).wrapping_add(7 as u64) & (8 as uintptr_t).wrapping_neg()) + as *mut libc::c_void as *mut i32; + cache = + non0ctri.offset((i_prim + j_prim + i_prim * i_ctr + j_prim * j_ctr) as isize) as *mut f64; non0ctrj = non0ctri.offset(i_prim as isize); non0idxi = non0ctrj.offset(j_prim as isize); non0idxj = non0idxi.offset((i_prim * i_ctr) as isize); CINTOpt_non0coeff_byshell(non0idxi, non0ctri, ci, i_prim, i_ctr); CINTOpt_non0coeff_byshell(non0idxj, non0ctrj, cj, j_prim, j_ctr); let nc: i32 = i_ctr * j_ctr; - let leng: i32 = (*envs).g_size * 3 - * (((1) << (*envs).gbits) + 1); + let leng: i32 = (*envs).g_size * 3 * (((1) << (*envs).gbits) + 1); let lenj: i32 = (*envs).nf * nc * n_comp; let leni: i32 = (*envs).nf * i_ctr * n_comp; let len0: i32 = (*envs).nf * n_comp; @@ -144,9 +120,8 @@ pub unsafe fn CINT1e_loop( let mut gout: *mut f64 = 0 as *mut f64; let mut gctri: *mut f64 = 0 as *mut f64; let mut gctrj: *mut f64 = 0 as *mut f64; - g = ((cache as uintptr_t).wrapping_add(7 as u64) - & (8 as uintptr_t).wrapping_neg()) as *mut libc::c_void - as *mut f64; + g = ((cache as uintptr_t).wrapping_add(7 as u64) & (8 as uintptr_t).wrapping_neg()) + as *mut libc::c_void as *mut f64; cache = g.offset(len as isize); let mut g1: *mut f64 = g.offset(leng as isize); if n_comp == 1 { @@ -168,8 +143,8 @@ pub unsafe fn CINT1e_loop( } else { gout = g1; } - let mut common_factor: f64 = (*envs).common_factor - * CINTcommon_fac_sp((*envs).i_l) * CINTcommon_fac_sp((*envs).j_l); + let mut common_factor: f64 = + (*envs).common_factor * CINTcommon_fac_sp((*envs).i_l) * CINTcommon_fac_sp((*envs).j_l); let mut pdata_ij = pdata_base; for jp in 0..(j_prim as isize) { (*envs).aj[0] = *aj.offset(jp); @@ -260,37 +235,26 @@ pub unsafe fn CINT1e_loop( pub unsafe fn int1e_cache_size(envs: &CINTEnvVars) -> i32 { let shls: *const i32 = envs.shls; let bas: *const i32 = envs.bas; - let i_prim: i32 = *bas - .offset( - (8 as i32 * *shls.offset(0 as isize) - + 2) as isize, - ); - let mut j_prim: i32 = *bas - .offset( - (8 as i32 * *shls.offset(1 as isize) - + 2) as isize, - ); + let i_prim: i32 = *bas.offset((8 * *shls.offset(0 as isize) + 2) as isize); + let mut j_prim: i32 = *bas.offset((8 * *shls.offset(1 as isize) + 2) as isize); let x_ctr: *const i32 = (envs.x_ctr).as_ptr(); - let nc: i32 = envs.nf * *x_ctr.offset(0 as isize) - * *x_ctr.offset(1 as isize); + let nc: i32 = envs.nf * *x_ctr.offset(0 as isize) * *x_ctr.offset(1 as isize); let mut n_comp: i32 = envs.ncomp_e1 * envs.ncomp_tensor; - let mut leng: i32 = envs.g_size * 3 - * (((1) << envs.gbits) + 1); + let mut leng: i32 = envs.g_size * 3 * (((1) << envs.gbits) + 1); let mut lenj: i32 = envs.nf * nc * n_comp; - let mut leni: i32 = envs.nf * *x_ctr.offset(0 as isize) - * n_comp; + let mut leni: i32 = envs.nf * *x_ctr.offset(0 as isize) * n_comp; let mut len0: i32 = envs.nf * n_comp; - let mut pdata_size: i32 = i_prim * j_prim * 5 as i32 + let mut pdata_size: i32 = i_prim * j_prim * 5 + i_prim * *x_ctr.offset(0 as isize) + j_prim * *x_ctr.offset(1 as isize) - + (i_prim + j_prim) * 2 + envs.nf * 3; - let mut cache_size: i32 = if nc * n_comp + leng + lenj + leni + len0 - + pdata_size > nc * n_comp + envs.nf * 8 as i32 * 2 - { - nc * n_comp + leng + lenj + leni + len0 + pdata_size - } else { - nc * n_comp + envs.nf * 8 as i32 * 2 - }; + + (i_prim + j_prim) * 2 + + envs.nf * 3; + let mut cache_size: i32 = + if nc * n_comp + leng + lenj + leni + len0 + pdata_size > nc * n_comp + envs.nf * 8 * 2 { + nc * n_comp + leng + lenj + leni + len0 + pdata_size + } else { + nc * n_comp + envs.nf * 8 * 2 + }; return cache_size; } #[no_mangle] @@ -299,29 +263,24 @@ pub unsafe fn CINT1e_drv( mut dims: *mut i32, envs: *mut CINTEnvVars, mut cache: *mut f64, - f_c2s: Option:: ()>, + f_c2s: Option ()>, int1e_type: i32, ) -> i32 { if out.is_null() { return int1e_cache_size(&*envs); } let mut x_ctr: *const i32 = ((*envs).x_ctr).as_ptr(); - let mut nc: i32 = (*envs).nf * *x_ctr.offset(0 as isize) - * *x_ctr.offset(1 as isize); + let mut nc: i32 = (*envs).nf * *x_ctr.offset(0 as isize) * *x_ctr.offset(1 as isize); let mut n_comp: i32 = (*envs).ncomp_e1 * (*envs).ncomp_tensor; let mut stack: *mut f64 = 0 as *mut f64; if cache.is_null() { let mut cache_size: u64 = int1e_cache_size(&*envs) as u64; - stack = malloc( - (::core::mem::size_of::() as u64) - .wrapping_mul(cache_size), - ) as *mut f64; + stack = malloc((::core::mem::size_of::() as u64).wrapping_mul(cache_size)) as *mut f64; cache = stack; } let mut gctr: *mut f64 = 0 as *mut f64; - gctr = ((cache as uintptr_t).wrapping_add(7 as u64) - & (8 as uintptr_t).wrapping_neg()) as *mut libc::c_void - as *mut f64; + gctr = ((cache as uintptr_t).wrapping_add(7 as u64) & (8 as uintptr_t).wrapping_neg()) + as *mut libc::c_void as *mut f64; cache = gctr.offset((nc * n_comp) as isize); let mut has_value: i32 = CINT1e_loop(gctr, envs, cache, int1e_type); let mut counts: [i32; 4] = [0; 4]; @@ -330,77 +289,35 @@ pub unsafe fn CINT1e_drv( } if f_c2s == ::core::mem::transmute::< - Option::< - unsafe fn( - *mut f64, - *mut f64, - *const i32, - *const CINTEnvVars, - *mut f64, - ) -> (), - >, - Option:: ()>, - >( - Some( - c2s_sph_1e - as unsafe fn( - *mut f64, - *mut f64, - *const i32, - *const CINTEnvVars, - *mut f64, - ) -> (), - ), - ) + Option ()>, + Option ()>, + >(Some( + c2s_sph_1e + as unsafe fn(*mut f64, *mut f64, *const i32, *const CINTEnvVars, *mut f64) -> (), + )) { - counts[0 - as usize] = ((*envs).i_l * 2 + 1) - * *x_ctr.offset(0 as isize); - counts[1 - as usize] = ((*envs).j_l * 2 + 1) - * *x_ctr.offset(1 as isize); + counts[0 as usize] = ((*envs).i_l * 2 + 1) * *x_ctr.offset(0 as isize); + counts[1 as usize] = ((*envs).j_l * 2 + 1) * *x_ctr.offset(1 as isize); } else if f_c2s == ::core::mem::transmute::< - Option::< - unsafe fn( - *mut f64, - *mut f64, - *const i32, - *const CINTEnvVars, - *mut f64, - ) -> (), - >, - Option:: ()>, - >( - Some( - c2s_cart_1e - as unsafe fn( - *mut f64, - *mut f64, - *const i32, - *const CINTEnvVars, - *mut f64, - ) -> (), - ), - ) + Option ()>, + Option ()>, + >(Some( + c2s_cart_1e + as unsafe fn(*mut f64, *mut f64, *const i32, *const CINTEnvVars, *mut f64) -> (), + )) { - counts[0 - as usize] = (*envs).nfi * *x_ctr.offset(0 as isize); - counts[1 - as usize] = (*envs).nfj * *x_ctr.offset(1 as isize); + counts[0 as usize] = (*envs).nfi * *x_ctr.offset(0 as isize); + counts[1 as usize] = (*envs).nfj * *x_ctr.offset(1 as isize); } counts[2 as usize] = 1; counts[3 as usize] = 1; - let mut nout: i32 = *dims.offset(0 as isize) - * *dims.offset(1 as isize); + let mut nout: i32 = *dims.offset(0 as isize) * *dims.offset(1 as isize); let mut n: i32 = 0; if has_value != 0 { n = 0; while n < n_comp { - ::core::mem::transmute::< - _, - fn(_, _, _, _, _), - >( + ::core::mem::transmute::<_, fn(_, _, _, _, _)>( (Some(f_c2s.expect("non-null function pointer"))) .expect("non-null function pointer"), )( @@ -438,20 +355,14 @@ unsafe extern "C" fn make_g1e_gout( match int1e_type { 0 => { CINTg1e_ovlp(g, &*envs); - ::core::mem::transmute::< - _, - fn(_, _, _, _, _), - >( + ::core::mem::transmute::<_, fn(_, _, _, _, _)>( (Some(((*envs).f_gout).expect("non-null function pointer"))) .expect("non-null function pointer"), )(gout, g, idx, envs, empty); } 1 => { CINTg1e_nuc(g, &*envs, -(1)); - ::core::mem::transmute::< - _, - fn(_, _, _, _, _), - >( + ::core::mem::transmute::<_, fn(_, _, _, _, _)>( (Some(((*envs).f_gout).expect("non-null function pointer"))) .expect("non-null function pointer"), )(gout, g, idx, envs, empty); @@ -460,19 +371,10 @@ unsafe extern "C" fn make_g1e_gout( ia = 0; while ia < (*envs).natm { CINTg1e_nuc(g, &*envs, ia); - ::core::mem::transmute::< - _, - fn(_, _, _, _, _), - >( + ::core::mem::transmute::<_, fn(_, _, _, _, _)>( (Some(((*envs).f_gout).expect("non-null function pointer"))) .expect("non-null function pointer"), - )( - gout, - g, - idx, - envs, - (empty != 0 && ia == 0) as i32, - ); + )(gout, g, idx, envs, (empty != 0 && ia == 0) as i32); ia += 1; ia; } @@ -500,11 +402,8 @@ pub unsafe fn CINTgout1e( ix = *idx.offset((n * 3 + 0) as isize); iy = *idx.offset((n * 3 + 1) as isize); iz = *idx.offset((n * 3 + 2) as isize); - *gout - .offset( - n as isize, - ) = *g.offset(ix as isize) * *g.offset(iy as isize) - * *g.offset(iz as isize); + *gout.offset(n as isize) = + *g.offset(ix as isize) * *g.offset(iy as isize) * *g.offset(iz as isize); n += 1; n; } @@ -514,9 +413,8 @@ pub unsafe fn CINTgout1e( ix = *idx.offset((n * 3 + 0) as isize); iy = *idx.offset((n * 3 + 1) as isize); iz = *idx.offset((n * 3 + 2) as isize); - *gout.offset(n as isize) - += *g.offset(ix as isize) * *g.offset(iy as isize) - * *g.offset(iz as isize); + *gout.offset(n as isize) += + *g.offset(ix as isize) * *g.offset(iy as isize) * *g.offset(iz as isize); n += 1; n; } @@ -541,27 +439,13 @@ pub unsafe fn CINTgout1e_nuc( if empty != 0 { n = 0; while n < nf { - gx = g - .offset( - *idx.offset((n * 3 + 0) as isize) - as isize, - ); - gy = g - .offset( - *idx.offset((n * 3 + 1) as isize) - as isize, - ); - gz = g - .offset( - *idx.offset((n * 3 + 2) as isize) - as isize, - ); + gx = g.offset(*idx.offset((n * 3 + 0) as isize) as isize); + gy = g.offset(*idx.offset((n * 3 + 1) as isize) as isize); + gz = g.offset(*idx.offset((n * 3 + 2) as isize) as isize); s = 0 as f64; i = 0; while i < nrys_roots { - s - += *gx.offset(i as isize) * *gy.offset(i as isize) - * *gz.offset(i as isize); + s += *gx.offset(i as isize) * *gy.offset(i as isize) * *gz.offset(i as isize); i += 1; i; } @@ -572,27 +456,13 @@ pub unsafe fn CINTgout1e_nuc( } else { n = 0; while n < nf { - gx = g - .offset( - *idx.offset((n * 3 + 0) as isize) - as isize, - ); - gy = g - .offset( - *idx.offset((n * 3 + 1) as isize) - as isize, - ); - gz = g - .offset( - *idx.offset((n * 3 + 2) as isize) - as isize, - ); + gx = g.offset(*idx.offset((n * 3 + 0) as isize) as isize); + gy = g.offset(*idx.offset((n * 3 + 1) as isize) as isize); + gz = g.offset(*idx.offset((n * 3 + 2) as isize) as isize); s = 0 as f64; i = 0; while i < nrys_roots { - s - += *gx.offset(i as isize) * *gy.offset(i as isize) - * *gz.offset(i as isize); + s += *gx.offset(i as isize) * *gy.offset(i as isize) * *gz.offset(i as isize); i += 1; i; } @@ -615,70 +485,27 @@ pub unsafe extern "C" fn int1e_ovlp_sph( _opt: *mut CINTOpt, cache: *mut f64, ) -> i32 { - let ng: [i32; 8] = [ - 0, - 0, - 0, - 0, - 0, - 1, - 1, - 1, - ]; + let ng: [i32; 8] = [0, 0, 0, 0, 0, 1, 1, 1]; let mut envs: CINTEnvVars = CINTEnvVars::new(); CINTinit_int1e_EnvVars(&mut envs, &ng, shls, atm, natm, bas, nbas, env); - envs - .f_gout = ::core::mem::transmute::< - Option::< - unsafe fn( - *mut f64, - *mut f64, - *mut i32, - &CINTEnvVars, - i32, - ) -> (), - >, - Option:: ()>, - >( - Some( - CINTgout1e - as unsafe fn( - *mut f64, - *mut f64, - *mut i32, - &CINTEnvVars, - i32, - ) -> (), - ), - ); + envs.f_gout = ::core::mem::transmute::< + Option ()>, + Option ()>, + >(Some( + CINTgout1e as unsafe fn(*mut f64, *mut f64, *mut i32, &CINTEnvVars, i32) -> (), + )); return CINT1e_drv( out, dims, &mut envs, cache, ::core::mem::transmute::< - Option::< - unsafe fn( - *mut f64, - *mut f64, - *const i32, - *const CINTEnvVars, - *mut f64, - ) -> (), - >, - Option:: ()>, - >( - Some( - c2s_sph_1e - as unsafe fn( - *mut f64, - *mut f64, - *const i32, - *const CINTEnvVars, - *mut f64, - ) -> (), - ), - ), + Option ()>, + Option ()>, + >(Some( + c2s_sph_1e + as unsafe fn(*mut f64, *mut f64, *const i32, *const CINTEnvVars, *mut f64) -> (), + )), 0, ); } @@ -695,70 +522,27 @@ pub unsafe fn int1e_ovlp_cart( _opt: *mut CINTOpt, cache: *mut f64, ) -> i32 { - let ng: [i32; 8] = [ - 0, - 0, - 0, - 0, - 0, - 1, - 1, - 1, - ]; + let ng: [i32; 8] = [0, 0, 0, 0, 0, 1, 1, 1]; let mut envs: CINTEnvVars = CINTEnvVars::new(); CINTinit_int1e_EnvVars(&mut envs, &ng, shls, atm, natm, bas, nbas, env); - envs - .f_gout = ::core::mem::transmute::< - Option::< - unsafe fn( - *mut f64, - *mut f64, - *mut i32, - &CINTEnvVars, - i32, - ) -> (), - >, - Option:: ()>, - >( - Some( - CINTgout1e - as unsafe fn( - *mut f64, - *mut f64, - *mut i32, - &CINTEnvVars, - i32, - ) -> (), - ), - ); + envs.f_gout = ::core::mem::transmute::< + Option ()>, + Option ()>, + >(Some( + CINTgout1e as unsafe fn(*mut f64, *mut f64, *mut i32, &CINTEnvVars, i32) -> (), + )); return CINT1e_drv( out, dims, &mut envs, cache, ::core::mem::transmute::< - Option::< - unsafe fn( - *mut f64, - *mut f64, - *const i32, - *const CINTEnvVars, - *mut f64, - ) -> (), - >, - Option:: ()>, - >( - Some( - c2s_cart_1e - as unsafe fn( - *mut f64, - *mut f64, - *const i32, - *const CINTEnvVars, - *mut f64, - ) -> (), - ), - ), + Option ()>, + Option ()>, + >(Some( + c2s_cart_1e + as unsafe fn(*mut f64, *mut f64, *const i32, *const CINTEnvVars, *mut f64) -> (), + )), 0, ); } @@ -786,70 +570,27 @@ pub unsafe extern "C" fn int1e_nuc_sph( _opt: *mut CINTOpt, cache: *mut f64, ) -> i32 { - let ng: [i32; 8] = [ - 0, - 0, - 0, - 0, - 0, - 1, - 0, - 1, - ]; + let ng: [i32; 8] = [0, 0, 0, 0, 0, 1, 0, 1]; let mut envs: CINTEnvVars = CINTEnvVars::new(); CINTinit_int1e_EnvVars(&mut envs, &ng, shls, atm, natm, bas, nbas, env); - envs - .f_gout = ::core::mem::transmute::< - Option::< - unsafe fn( - *mut f64, - *mut f64, - *mut i32, - &CINTEnvVars, - i32, - ) -> (), - >, - Option:: ()>, - >( - Some( - CINTgout1e_nuc - as unsafe fn( - *mut f64, - *mut f64, - *mut i32, - &CINTEnvVars, - i32, - ) -> (), - ), - ); + envs.f_gout = ::core::mem::transmute::< + Option ()>, + Option ()>, + >(Some( + CINTgout1e_nuc as unsafe fn(*mut f64, *mut f64, *mut i32, &CINTEnvVars, i32) -> (), + )); return CINT1e_drv( out, dims, &mut envs, cache, ::core::mem::transmute::< - Option::< - unsafe fn( - *mut f64, - *mut f64, - *const i32, - *const CINTEnvVars, - *mut f64, - ) -> (), - >, - Option:: ()>, - >( - Some( - c2s_sph_1e - as unsafe fn( - *mut f64, - *mut f64, - *const i32, - *const CINTEnvVars, - *mut f64, - ) -> (), - ), - ), + Option ()>, + Option ()>, + >(Some( + c2s_sph_1e + as unsafe fn(*mut f64, *mut f64, *const i32, *const CINTEnvVars, *mut f64) -> (), + )), 2, ); } @@ -866,70 +607,27 @@ pub unsafe extern "C" fn int1e_nuc_cart( _opt: *mut CINTOpt, cache: *mut f64, ) -> i32 { - let ng: [i32; 8] = [ - 0, - 0, - 0, - 0, - 0, - 1, - 0, - 1, - ]; + let ng: [i32; 8] = [0, 0, 0, 0, 0, 1, 0, 1]; let mut envs: CINTEnvVars = CINTEnvVars::new(); CINTinit_int1e_EnvVars(&mut envs, &ng, shls, atm, natm, bas, nbas, env); - envs - .f_gout = ::core::mem::transmute::< - Option::< - unsafe fn( - *mut f64, - *mut f64, - *mut i32, - &CINTEnvVars, - i32, - ) -> (), - >, - Option:: ()>, - >( - Some( - CINTgout1e_nuc - as unsafe fn( - *mut f64, - *mut f64, - *mut i32, - &CINTEnvVars, - i32, - ) -> (), - ), - ); + envs.f_gout = ::core::mem::transmute::< + Option ()>, + Option ()>, + >(Some( + CINTgout1e_nuc as unsafe fn(*mut f64, *mut f64, *mut i32, &CINTEnvVars, i32) -> (), + )); return CINT1e_drv( out, dims, &mut envs, cache, ::core::mem::transmute::< - Option::< - unsafe fn( - *mut f64, - *mut f64, - *const i32, - *const CINTEnvVars, - *mut f64, - ) -> (), - >, - Option:: ()>, - >( - Some( - c2s_cart_1e - as unsafe fn( - *mut f64, - *mut f64, - *const i32, - *const CINTEnvVars, - *mut f64, - ) -> (), - ), - ), + Option ()>, + Option ()>, + >(Some( + c2s_cart_1e + as unsafe fn(*mut f64, *mut f64, *const i32, *const CINTEnvVars, *mut f64) -> (), + )), 2, ); } @@ -1254,7 +952,6 @@ pub unsafe extern "C" fn cint1e_nuc_optimizer_( int1e_nuc_optimizer(opt, atm, *natm, bas, *nbas, env); } - #[no_mangle] #[inline(never)] pub fn cint1e_ovlp_cart( diff --git a/src/cint2e.rs b/src/cint2e.rs index 2ff3146..ab07c23 100644 --- a/src/cint2e.rs +++ b/src/cint2e.rs @@ -1,22 +1,30 @@ -#![allow(dead_code, mutable_transmutes, non_camel_case_types, non_snake_case, non_upper_case_globals, unused_assignments, unused_mut)] +#![allow( + dead_code, + mutable_transmutes, + non_camel_case_types, + non_snake_case, + non_upper_case_globals, + unused_assignments, + unused_mut +)] +use crate::cart2sph::c2s_cart_2e1; +use crate::cart2sph::c2s_dset0; +use crate::cart2sph::c2s_sph_2e1; +use crate::fblas::CINTdmat_transpose; +use crate::fblas::CINTdplus_transpose; use crate::g1e::CINTprim_to_ctr_0; use crate::g1e::CINTprim_to_ctr_1; use crate::g2e::CINTg2e_index_xyz; use crate::g2e::CINTinit_int2e_EnvVars; use crate::optimizer::CINTOpt_log_max_pgto_coeff; use crate::optimizer::CINTOpt_non0coeff_byshell; -use crate::optimizer::CINTset_pairdata; use crate::optimizer::CINTall_2e_optimizer; -use crate::fblas::CINTdplus_transpose; -use crate::fblas::CINTdmat_transpose; -use crate::cart2sph::c2s_sph_2e1; -use crate::cart2sph::c2s_cart_2e1; -use crate::cart2sph::c2s_dset0; +use crate::optimizer::CINTset_pairdata; -use crate::cint::PairData; -use crate::cint::CINTOpt; use crate::cint::CINTEnvVars; +use crate::cint::CINTOpt; +use crate::cint::PairData; pub type uintptr_t = u64; @@ -43,74 +51,38 @@ pub unsafe extern "C" fn CINT2e_loop_nopt( let mut j_ctr: i32 = (*envs).x_ctr[1 as usize]; let mut k_ctr: i32 = (*envs).x_ctr[2 as usize]; let mut l_ctr: i32 = (*envs).x_ctr[3 as usize]; - let mut i_prim: i32 = *bas - .offset((8 as i32 * i_sh + 2 as i32) as isize); - let mut j_prim: i32 = *bas - .offset((8 as i32 * j_sh + 2 as i32) as isize); - let mut k_prim: i32 = *bas - .offset((8 as i32 * k_sh + 2 as i32) as isize); - let mut l_prim: i32 = *bas - .offset((8 as i32 * l_sh + 2 as i32) as isize); + let mut i_prim: i32 = *bas.offset((8 as i32 * i_sh + 2 as i32) as isize); + let mut j_prim: i32 = *bas.offset((8 as i32 * j_sh + 2 as i32) as isize); + let mut k_prim: i32 = *bas.offset((8 as i32 * k_sh + 2 as i32) as isize); + let mut l_prim: i32 = *bas.offset((8 as i32 * l_sh + 2 as i32) as isize); let mut rk: *mut f64 = (*envs).rk; let mut rl: *mut f64 = (*envs).c2rust_unnamed_1.rl; - let mut ai: *mut f64 = env - .offset( - *bas.offset((8 as i32 * i_sh + 5 as i32) as isize) as isize, - ); - let mut aj: *mut f64 = env - .offset( - *bas.offset((8 as i32 * j_sh + 5 as i32) as isize) as isize, - ); - let mut ak: *mut f64 = env - .offset( - *bas.offset((8 as i32 * k_sh + 5 as i32) as isize) as isize, - ); - let mut al: *mut f64 = env - .offset( - *bas.offset((8 as i32 * l_sh + 5 as i32) as isize) as isize, - ); - let mut ci: *mut f64 = env - .offset( - *bas.offset((8 as i32 * i_sh + 6 as i32) as isize) as isize, - ); - let mut cj: *mut f64 = env - .offset( - *bas.offset((8 as i32 * j_sh + 6 as i32) as isize) as isize, - ); - let mut ck: *mut f64 = env - .offset( - *bas.offset((8 as i32 * k_sh + 6 as i32) as isize) as isize, - ); - let mut cl: *mut f64 = env - .offset( - *bas.offset((8 as i32 * l_sh + 6 as i32) as isize) as isize, - ); + let mut ai: *mut f64 = env.offset(*bas.offset((8 as i32 * i_sh + 5 as i32) as isize) as isize); + let mut aj: *mut f64 = env.offset(*bas.offset((8 as i32 * j_sh + 5 as i32) as isize) as isize); + let mut ak: *mut f64 = env.offset(*bas.offset((8 as i32 * k_sh + 5 as i32) as isize) as isize); + let mut al: *mut f64 = env.offset(*bas.offset((8 as i32 * l_sh + 5 as i32) as isize) as isize); + let mut ci: *mut f64 = env.offset(*bas.offset((8 as i32 * i_sh + 6 as i32) as isize) as isize); + let mut cj: *mut f64 = env.offset(*bas.offset((8 as i32 * j_sh + 6 as i32) as isize) as isize); + let mut ck: *mut f64 = env.offset(*bas.offset((8 as i32 * k_sh + 6 as i32) as isize) as isize); + let mut cl: *mut f64 = env.offset(*bas.offset((8 as i32 * l_sh + 6 as i32) as isize) as isize); let mut expcutoff: f64 = (*envs).expcutoff; - let mut rr_ij: f64 = (*envs).rirj[0 as usize] - * (*envs).rirj[0 as usize] - + (*envs).rirj[1 as usize] - * (*envs).rirj[1 as usize] - + (*envs).rirj[2 as usize] - * (*envs).rirj[2 as usize]; - let mut rr_kl: f64 = (*envs).rkrl[0 as usize] - * (*envs).rkrl[0 as usize] - + (*envs).rkrl[1 as usize] - * (*envs).rkrl[1 as usize] - + (*envs).rkrl[2 as usize] - * (*envs).rkrl[2 as usize]; + let mut rr_ij: f64 = (*envs).rirj[0 as usize] * (*envs).rirj[0 as usize] + + (*envs).rirj[1 as usize] * (*envs).rirj[1 as usize] + + (*envs).rirj[2 as usize] * (*envs).rirj[2 as usize]; + let mut rr_kl: f64 = (*envs).rkrl[0 as usize] * (*envs).rkrl[0 as usize] + + (*envs).rkrl[1 as usize] * (*envs).rkrl[1 as usize] + + (*envs).rkrl[2 as usize] * (*envs).rkrl[2 as usize]; let mut log_maxci: *mut f64 = 0 as *mut f64; let mut log_maxcj: *mut f64 = 0 as *mut f64; let mut log_maxck: *mut f64 = 0 as *mut f64; let mut log_maxcl: *mut f64 = 0 as *mut f64; let mut pdata_base: *mut PairData = 0 as *mut PairData; let mut pdata_ij: *mut PairData = 0 as *mut PairData; - log_maxci = ((cache as uintptr_t).wrapping_add(7 as u64) - & (8 as uintptr_t).wrapping_neg()) as *mut libc::c_void - as *mut f64; + log_maxci = ((cache as uintptr_t).wrapping_add(7 as u64) & (8 as uintptr_t).wrapping_neg()) + as *mut libc::c_void as *mut f64; cache = log_maxci.offset((i_prim + j_prim + k_prim + l_prim) as isize); - pdata_base = ((cache as uintptr_t).wrapping_add(7 as u64) - & (8 as uintptr_t).wrapping_neg()) as *mut libc::c_void - as *mut PairData; + pdata_base = ((cache as uintptr_t).wrapping_add(7 as u64) & (8 as uintptr_t).wrapping_neg()) + as *mut libc::c_void as *mut PairData; cache = pdata_base.offset((i_prim * j_prim) as isize) as *mut f64; log_maxcj = log_maxci.offset(i_prim as isize); log_maxck = log_maxcj.offset(j_prim as isize); @@ -138,8 +110,7 @@ pub unsafe extern "C" fn CINT2e_loop_nopt( } CINTOpt_log_max_pgto_coeff(log_maxck, ck, k_prim, k_ctr); CINTOpt_log_max_pgto_coeff(log_maxcl, cl, l_prim, l_ctr); - let mut n_comp: i32 = (*envs).ncomp_e1 * (*envs).ncomp_e2 - * (*envs).ncomp_tensor; + let mut n_comp: i32 = (*envs).ncomp_e1 * (*envs).ncomp_e2 * (*envs).ncomp_tensor; let mut nf: u64 = (*envs).nf as u64; let mut fac1i: f64 = 0.; let mut fac1j: f64 = 0.; @@ -149,28 +120,12 @@ pub unsafe extern "C" fn CINT2e_loop_nopt( let mut jp: i32 = 0; let mut kp: i32 = 0; let mut lp: i32 = 0; - let mut _empty: [i32; 5] = [ - 1 as i32, - 1 as i32, - 1 as i32, - 1 as i32, - 1 as i32, - ]; - let mut iempty: *mut i32 = _empty - .as_mut_ptr() - .offset(0 as isize); - let mut jempty: *mut i32 = _empty - .as_mut_ptr() - .offset(1 as isize); - let mut kempty: *mut i32 = _empty - .as_mut_ptr() - .offset(2 as isize); - let mut lempty: *mut i32 = _empty - .as_mut_ptr() - .offset(3 as isize); - let mut gempty: *mut i32 = _empty - .as_mut_ptr() - .offset(4 as isize); + let mut _empty: [i32; 5] = [1 as i32, 1 as i32, 1 as i32, 1 as i32, 1 as i32]; + let mut iempty: *mut i32 = _empty.as_mut_ptr().offset(0 as isize); + let mut jempty: *mut i32 = _empty.as_mut_ptr().offset(1 as isize); + let mut kempty: *mut i32 = _empty.as_mut_ptr().offset(2 as isize); + let mut lempty: *mut i32 = _empty.as_mut_ptr().offset(3 as isize); + let mut gempty: *mut i32 = _empty.as_mut_ptr().offset(4 as isize); let mut lkl: i32 = (*envs).lk_ceil + (*envs).ll_ceil; let mut akl: f64 = 0.; let mut ekl: f64 = 0.; @@ -181,8 +136,7 @@ pub unsafe extern "C" fn CINT2e_loop_nopt( let mut cutoff: f64 = 0.; let mut rkl: [f64; 3] = [0.; 3]; let mut rij: *mut f64 = 0 as *mut f64; - akl = *ak.offset((k_prim - 1 as i32) as isize) - + *al.offset((l_prim - 1 as i32) as isize); + akl = *ak.offset((k_prim - 1 as i32) as isize) + *al.offset((l_prim - 1 as i32) as isize); log_rr_kl = 1.7f64 - 1.5f64 * (akl).ln(); let mut omega: f64 = *env.offset(8 as isize); if omega < 0 as f64 { @@ -191,31 +145,25 @@ pub unsafe extern "C" fn CINT2e_loop_nopt( let mut omega2: f64 = omega * omega; let mut lij: i32 = (*envs).li_ceil + (*envs).lj_ceil; if lij > 0 as i32 { - let mut aij: f64 = *ai - .offset((i_prim - 1 as i32) as isize) + let mut aij: f64 = *ai.offset((i_prim - 1 as i32) as isize) + *aj.offset((j_prim - 1 as i32) as isize); let mut dist_ij: f64 = (rr_ij).sqrt(); let mut theta: f64 = omega2 / (omega2 + aij); - expcutoff - += lij as f64 - * ((dist_ij + theta * r_guess + 1.0f64) / (dist_ij + 1.0f64)).ln(); + expcutoff += + lij as f64 * ((dist_ij + theta * r_guess + 1.0f64) / (dist_ij + 1.0f64)).ln(); } if lkl > 0 as i32 { let mut theta_0: f64 = omega2 / (omega2 + akl); - log_rr_kl - += lkl as f64 - * ((rr_kl).sqrt() + theta_0 * r_guess + 1.0f64).ln(); + log_rr_kl += lkl as f64 * ((rr_kl).sqrt() + theta_0 * r_guess + 1.0f64).ln(); } } } else if lkl > 0 as i32 { log_rr_kl += lkl as f64 * ((rr_kl).sqrt() + 1.0f64).ln(); } let mut idx: *mut i32 = 0 as *mut i32; - idx = ((cache as uintptr_t).wrapping_add(7 as u64) - & (8 as uintptr_t).wrapping_neg()) as *mut libc::c_void - as *mut i32; - cache = idx.offset(nf.wrapping_mul(3 as u64) as isize) - as *mut f64; + idx = ((cache as uintptr_t).wrapping_add(7 as u64) & (8 as uintptr_t).wrapping_neg()) + as *mut libc::c_void as *mut i32; + cache = idx.offset(nf.wrapping_mul(3 as u64) as isize) as *mut f64; CINTg2e_index_xyz(idx, &*envs); let mut non0ctri: *mut i32 = 0 as *mut i32; let mut non0ctrj: *mut i32 = 0 as *mut i32; @@ -225,14 +173,18 @@ pub unsafe extern "C" fn CINT2e_loop_nopt( let mut non0idxj: *mut i32 = 0 as *mut i32; let mut non0idxk: *mut i32 = 0 as *mut i32; let mut non0idxl: *mut i32 = 0 as *mut i32; - non0ctri = ((cache as uintptr_t).wrapping_add(7 as u64) - & (8 as uintptr_t).wrapping_neg()) as *mut libc::c_void - as *mut i32; - cache = non0ctri - .offset( - (i_prim + j_prim + k_prim + l_prim + i_prim * i_ctr + j_prim * j_ctr - + k_prim * k_ctr + l_prim * l_ctr) as isize, - ) as *mut f64; + non0ctri = ((cache as uintptr_t).wrapping_add(7 as u64) & (8 as uintptr_t).wrapping_neg()) + as *mut libc::c_void as *mut i32; + cache = non0ctri.offset( + (i_prim + + j_prim + + k_prim + + l_prim + + i_prim * i_ctr + + j_prim * j_ctr + + k_prim * k_ctr + + l_prim * l_ctr) as isize, + ) as *mut f64; non0ctrj = non0ctri.offset(i_prim as isize); non0ctrk = non0ctrj.offset(j_prim as isize); non0ctrl = non0ctrk.offset(k_prim as isize); @@ -245,11 +197,9 @@ pub unsafe extern "C" fn CINT2e_loop_nopt( CINTOpt_non0coeff_byshell(non0idxk, non0ctrk, ck, k_prim, k_ctr); CINTOpt_non0coeff_byshell(non0idxl, non0ctrl, cl, l_prim, l_ctr); let mut nc: i32 = i_ctr * j_ctr * k_ctr * l_ctr; - let mut leng: u64 = ((*envs).g_size * 3 as i32 - * (((1 as i32) << (*envs).gbits) + 1 as i32)) as u64; - let mut lenl: u64 = nf - .wrapping_mul(nc as u64) - .wrapping_mul(n_comp as u64); + let mut leng: u64 = + ((*envs).g_size * 3 as i32 * (((1 as i32) << (*envs).gbits) + 1 as i32)) as u64; + let mut lenl: u64 = nf.wrapping_mul(nc as u64).wrapping_mul(n_comp as u64); let mut lenk: u64 = nf .wrapping_mul(i_ctr as u64) .wrapping_mul(j_ctr as u64) @@ -259,9 +209,7 @@ pub unsafe extern "C" fn CINT2e_loop_nopt( .wrapping_mul(i_ctr as u64) .wrapping_mul(j_ctr as u64) .wrapping_mul(n_comp as u64); - let mut leni: u64 = nf - .wrapping_mul(i_ctr as u64) - .wrapping_mul(n_comp as u64); + let mut leni: u64 = nf.wrapping_mul(i_ctr as u64).wrapping_mul(n_comp as u64); let mut len0: u64 = nf.wrapping_mul(n_comp as u64); let mut len: u64 = leng .wrapping_add(lenl) @@ -270,9 +218,8 @@ pub unsafe extern "C" fn CINT2e_loop_nopt( .wrapping_add(leni) .wrapping_add(len0); let mut g: *mut f64 = 0 as *mut f64; - g = ((cache as uintptr_t).wrapping_add(7 as u64) - & (8 as uintptr_t).wrapping_neg()) as *mut libc::c_void - as *mut f64; + g = ((cache as uintptr_t).wrapping_add(7 as u64) & (8 as uintptr_t).wrapping_neg()) + as *mut libc::c_void as *mut f64; cache = g.offset(len as isize); let mut g1: *mut f64 = g.offset(leng as isize); let mut gout: *mut f64 = 0 as *mut f64; @@ -328,23 +275,17 @@ pub unsafe extern "C" fn CINT2e_loop_nopt( while kp < k_prim { akl = *ak.offset(kp as isize) + *al.offset(lp as isize); ekl = rr_kl * *ak.offset(kp as isize) * *al.offset(lp as isize) / akl; - ccekl = ekl - log_rr_kl - *log_maxck.offset(kp as isize) - - *log_maxcl.offset(lp as isize); + ccekl = + ekl - log_rr_kl - *log_maxck.offset(kp as isize) - *log_maxcl.offset(lp as isize); if !(ccekl > expcutoff) { (*envs).ak[0 as usize] = *ak.offset(kp as isize); - rkl[0 as i32 - as usize] = (*ak.offset(kp as isize) - * *rk.offset(0 as isize) + rkl[0 as i32 as usize] = (*ak.offset(kp as isize) * *rk.offset(0 as isize) + *al.offset(lp as isize) * *rl.offset(0 as isize)) / akl; - rkl[1 as i32 - as usize] = (*ak.offset(kp as isize) - * *rk.offset(1 as isize) + rkl[1 as i32 as usize] = (*ak.offset(kp as isize) * *rk.offset(1 as isize) + *al.offset(lp as isize) * *rl.offset(1 as isize)) / akl; - rkl[2 as i32 - as usize] = (*ak.offset(kp as isize) - * *rk.offset(2 as isize) + rkl[2 as i32 as usize] = (*ak.offset(kp as isize) * *rk.offset(2 as isize) + *al.offset(lp as isize) * *rl.offset(2 as isize)) / akl; eijcutoff = expcutoff - ccekl; @@ -368,8 +309,7 @@ pub unsafe extern "C" fn CINT2e_loop_nopt( ip = 0 as i32; while ip < i_prim { if !((*pdata_ij).cceij > eijcutoff) { - (*envs) - .ai[0 as usize] = *ai.offset(ip as isize); + (*envs).ai[0 as usize] = *ai.offset(ip as isize); rij = ((*pdata_ij).rij).as_mut_ptr(); cutoff = eijcutoff - (*pdata_ij).cceij; expijkl = (*pdata_ij).eij * ekl; @@ -379,20 +319,13 @@ pub unsafe extern "C" fn CINT2e_loop_nopt( fac1i = fac1j * expijkl; } (*envs).fac[0 as usize] = fac1i; - if ::core::mem::transmute::< - _, - fn(_, _, _, _, _) -> i32, - >( - (Some( - ((*envs).f_g0_2e).expect("non-null function pointer"), - )) + if ::core::mem::transmute::<_, fn(_, _, _, _, _) -> i32>( + (Some(((*envs).f_g0_2e).expect("non-null function pointer"))) .expect("non-null function pointer"), - )(g, rij, rkl.as_mut_ptr(), cutoff, envs) != 0 + )(g, rij, rkl.as_mut_ptr(), cutoff, envs) + != 0 { - ::core::mem::transmute::< - _, - fn(_, _, _, _, _), - >( + ::core::mem::transmute::<_, fn(_, _, _, _, _)>( (Some(((*envs).f_gout).expect("non-null function pointer"))) .expect("non-null function pointer"), )(gout, g, idx, envs, *gempty); @@ -525,20 +458,10 @@ pub unsafe extern "C" fn CINT2e_loop_nopt( } if n_comp > 1 as i32 && *lempty == 0 { if *empty != 0 { - CINTdmat_transpose( - gctr, - gctrl, - nf.wrapping_mul(nc as u64) as i32, - n_comp, - ); + CINTdmat_transpose(gctr, gctrl, nf.wrapping_mul(nc as u64) as i32, n_comp); *empty = 0 as i32; } else { - CINTdplus_transpose( - gctr, - gctrl, - nf.wrapping_mul(nc as u64) as i32, - n_comp, - ); + CINTdplus_transpose(gctr, gctrl, nf.wrapping_mul(nc as u64) as i32, n_comp); } } return (*empty == 0) as i32; @@ -562,8 +485,7 @@ pub unsafe extern "C" fn CINT2e_1111_loop( && (*((*opt).pairdata).offset((i_sh * (*opt).nbas + j_sh) as isize) == 0xffffffffffffffff as u64 as *mut libc::c_void as *mut PairData || *((*opt).pairdata).offset((k_sh * (*opt).nbas + l_sh) as isize) - == 0xffffffffffffffff as u64 as *mut libc::c_void - as *mut PairData) + == 0xffffffffffffffff as u64 as *mut libc::c_void as *mut PairData) { return 0 as i32; } @@ -571,59 +493,25 @@ pub unsafe extern "C" fn CINT2e_1111_loop( let _j_ctr: i32 = (*envs).x_ctr[1 as usize]; let _k_ctr: i32 = (*envs).x_ctr[2 as usize]; let _l_ctr: i32 = (*envs).x_ctr[3 as usize]; - let mut i_prim: i32 = *bas - .offset((8 as i32 * i_sh + 2 as i32) as isize); - let mut j_prim: i32 = *bas - .offset((8 as i32 * j_sh + 2 as i32) as isize); - let mut k_prim: i32 = *bas - .offset((8 as i32 * k_sh + 2 as i32) as isize); - let mut l_prim: i32 = *bas - .offset((8 as i32 * l_sh + 2 as i32) as isize); - let mut ai: *mut f64 = env - .offset( - *bas.offset((8 as i32 * i_sh + 5 as i32) as isize) as isize, - ); - let mut aj: *mut f64 = env - .offset( - *bas.offset((8 as i32 * j_sh + 5 as i32) as isize) as isize, - ); - let mut ak: *mut f64 = env - .offset( - *bas.offset((8 as i32 * k_sh + 5 as i32) as isize) as isize, - ); - let mut al: *mut f64 = env - .offset( - *bas.offset((8 as i32 * l_sh + 5 as i32) as isize) as isize, - ); - let mut ci: *mut f64 = env - .offset( - *bas.offset((8 as i32 * i_sh + 6 as i32) as isize) as isize, - ); - let mut cj: *mut f64 = env - .offset( - *bas.offset((8 as i32 * j_sh + 6 as i32) as isize) as isize, - ); - let mut ck: *mut f64 = env - .offset( - *bas.offset((8 as i32 * k_sh + 6 as i32) as isize) as isize, - ); - let mut cl: *mut f64 = env - .offset( - *bas.offset((8 as i32 * l_sh + 6 as i32) as isize) as isize, - ); + let mut i_prim: i32 = *bas.offset((8 as i32 * i_sh + 2 as i32) as isize); + let mut j_prim: i32 = *bas.offset((8 as i32 * j_sh + 2 as i32) as isize); + let mut k_prim: i32 = *bas.offset((8 as i32 * k_sh + 2 as i32) as isize); + let mut l_prim: i32 = *bas.offset((8 as i32 * l_sh + 2 as i32) as isize); + let mut ai: *mut f64 = env.offset(*bas.offset((8 as i32 * i_sh + 5 as i32) as isize) as isize); + let mut aj: *mut f64 = env.offset(*bas.offset((8 as i32 * j_sh + 5 as i32) as isize) as isize); + let mut ak: *mut f64 = env.offset(*bas.offset((8 as i32 * k_sh + 5 as i32) as isize) as isize); + let mut al: *mut f64 = env.offset(*bas.offset((8 as i32 * l_sh + 5 as i32) as isize) as isize); + let mut ci: *mut f64 = env.offset(*bas.offset((8 as i32 * i_sh + 6 as i32) as isize) as isize); + let mut cj: *mut f64 = env.offset(*bas.offset((8 as i32 * j_sh + 6 as i32) as isize) as isize); + let mut ck: *mut f64 = env.offset(*bas.offset((8 as i32 * k_sh + 6 as i32) as isize) as isize); + let mut cl: *mut f64 = env.offset(*bas.offset((8 as i32 * l_sh + 6 as i32) as isize) as isize); let mut expcutoff: f64 = (*envs).expcutoff; - let mut rr_ij: f64 = (*envs).rirj[0 as usize] - * (*envs).rirj[0 as usize] - + (*envs).rirj[1 as usize] - * (*envs).rirj[1 as usize] - + (*envs).rirj[2 as usize] - * (*envs).rirj[2 as usize]; - let mut rr_kl: f64 = (*envs).rkrl[0 as usize] - * (*envs).rkrl[0 as usize] - + (*envs).rkrl[1 as usize] - * (*envs).rkrl[1 as usize] - + (*envs).rkrl[2 as usize] - * (*envs).rkrl[2 as usize]; + let mut rr_ij: f64 = (*envs).rirj[0 as usize] * (*envs).rirj[0 as usize] + + (*envs).rirj[1 as usize] * (*envs).rirj[1 as usize] + + (*envs).rirj[2 as usize] * (*envs).rirj[2 as usize]; + let mut rr_kl: f64 = (*envs).rkrl[0 as usize] * (*envs).rkrl[0 as usize] + + (*envs).rkrl[1 as usize] * (*envs).rkrl[1 as usize] + + (*envs).rkrl[2 as usize] * (*envs).rkrl[2 as usize]; let mut _pdata_ij: *mut PairData = 0 as *mut PairData; let mut _pdata_kl: *mut PairData = 0 as *mut PairData; let mut pdata_ij: *mut PairData = 0 as *mut PairData; @@ -632,15 +520,11 @@ pub unsafe extern "C" fn CINT2e_1111_loop( _pdata_ij = *((*opt).pairdata).offset((i_sh * (*opt).nbas + j_sh) as isize); _pdata_kl = *((*opt).pairdata).offset((k_sh * (*opt).nbas + l_sh) as isize); } else { - let mut log_maxci: *mut f64 = *((*opt).log_max_coeff) - .offset(i_sh as isize); - let mut log_maxcj: *mut f64 = *((*opt).log_max_coeff) - .offset(j_sh as isize); - _pdata_ij = ((cache as uintptr_t).wrapping_add(7 as u64) - & (8 as uintptr_t).wrapping_neg()) as *mut libc::c_void - as *mut PairData; - cache = _pdata_ij.offset((i_prim * j_prim + k_prim * l_prim) as isize) - as *mut f64; + let mut log_maxci: *mut f64 = *((*opt).log_max_coeff).offset(i_sh as isize); + let mut log_maxcj: *mut f64 = *((*opt).log_max_coeff).offset(j_sh as isize); + _pdata_ij = ((cache as uintptr_t).wrapping_add(7 as u64) & (8 as uintptr_t).wrapping_neg()) + as *mut libc::c_void as *mut PairData; + cache = _pdata_ij.offset((i_prim * j_prim + k_prim * l_prim) as isize) as *mut f64; if CINTset_pairdata( _pdata_ij, ai, @@ -660,10 +544,8 @@ pub unsafe extern "C" fn CINT2e_1111_loop( { return 0 as i32; } - let mut log_maxck: *mut f64 = *((*opt).log_max_coeff) - .offset(k_sh as isize); - let mut log_maxcl: *mut f64 = *((*opt).log_max_coeff) - .offset(l_sh as isize); + let mut log_maxck: *mut f64 = *((*opt).log_max_coeff).offset(k_sh as isize); + let mut log_maxcl: *mut f64 = *((*opt).log_max_coeff).offset(l_sh as isize); _pdata_kl = _pdata_ij.offset((i_prim * j_prim) as isize); if CINTset_pairdata( _pdata_kl, @@ -685,8 +567,7 @@ pub unsafe extern "C" fn CINT2e_1111_loop( return 0 as i32; } } - let mut n_comp: i32 = (*envs).ncomp_e1 * (*envs).ncomp_e2 - * (*envs).ncomp_tensor; + let mut n_comp: i32 = (*envs).ncomp_e1 * (*envs).ncomp_e2 * (*envs).ncomp_tensor; let mut nf: u64 = (*envs).nf as u64; let mut fac1i: f64 = 0.; let mut fac1j: f64 = 0.; @@ -696,28 +577,12 @@ pub unsafe extern "C" fn CINT2e_1111_loop( let mut jp: i32 = 0; let mut kp: i32 = 0; let mut lp: i32 = 0; - let mut _empty: [i32; 5] = [ - 1 as i32, - 1 as i32, - 1 as i32, - 1 as i32, - 1 as i32, - ]; - let _iempty: *mut i32 = _empty - .as_mut_ptr() - .offset(0 as isize); - let _jempty: *mut i32 = _empty - .as_mut_ptr() - .offset(1 as isize); - let _kempty: *mut i32 = _empty - .as_mut_ptr() - .offset(2 as isize); - let _lempty: *mut i32 = _empty - .as_mut_ptr() - .offset(3 as isize); - let mut gempty: *mut i32 = _empty - .as_mut_ptr() - .offset(4 as isize); + let mut _empty: [i32; 5] = [1 as i32, 1 as i32, 1 as i32, 1 as i32, 1 as i32]; + let _iempty: *mut i32 = _empty.as_mut_ptr().offset(0 as isize); + let _jempty: *mut i32 = _empty.as_mut_ptr().offset(1 as isize); + let _kempty: *mut i32 = _empty.as_mut_ptr().offset(2 as isize); + let _lempty: *mut i32 = _empty.as_mut_ptr().offset(3 as isize); + let mut gempty: *mut i32 = _empty.as_mut_ptr().offset(4 as isize); let _non0ctri: *mut i32 = *((*opt).non0ctr).offset(i_sh as isize); let _non0ctrj: *mut i32 = *((*opt).non0ctr).offset(j_sh as isize); let _non0ctrk: *mut i32 = *((*opt).non0ctr).offset(k_sh as isize); @@ -734,58 +599,50 @@ pub unsafe extern "C" fn CINT2e_1111_loop( eklcutoff = expcutoff; let mut rij: *mut f64 = 0 as *mut f64; let mut rkl: *mut f64 = 0 as *mut f64; - let mut idx: *mut i32 = *((*opt).index_xyz_array) - .offset( - ((*envs).i_l * 16 as i32 * 16 as i32 * 16 as i32 - + (*envs).j_l * 16 as i32 * 16 as i32 - + (*envs).k_l * 16 as i32 + (*envs).l_l) as isize, - ); + let mut idx: *mut i32 = *((*opt).index_xyz_array).offset( + ((*envs).i_l * 16 as i32 * 16 as i32 * 16 as i32 + + (*envs).j_l * 16 as i32 * 16 as i32 + + (*envs).k_l * 16 as i32 + + (*envs).l_l) as isize, + ); if idx.is_null() { - idx = ((cache as uintptr_t).wrapping_add(7 as u64) - & (8 as uintptr_t).wrapping_neg()) as *mut libc::c_void - as *mut i32; - cache = idx.offset(nf.wrapping_mul(3 as u64) as isize) - as *mut f64; + idx = ((cache as uintptr_t).wrapping_add(7 as u64) & (8 as uintptr_t).wrapping_neg()) + as *mut libc::c_void as *mut i32; + cache = idx.offset(nf.wrapping_mul(3 as u64) as isize) as *mut f64; CINTg2e_index_xyz(idx, &*envs); } let mut omega: f64 = *env.offset(8 as isize); - if omega < 0 as f64 && (*envs).rys_order > 1 as i32 - { + if omega < 0 as f64 && (*envs).rys_order > 1 as i32 { let mut r_guess: f64 = 8.0f64; let mut omega2: f64 = omega * omega; let mut lij: i32 = (*envs).li_ceil + (*envs).lj_ceil; let mut lkl: i32 = (*envs).lk_ceil + (*envs).ll_ceil; if lij > 0 as i32 { let mut dist_ij: f64 = (rr_ij).sqrt(); - let mut aij: f64 = *ai - .offset((i_prim - 1 as i32) as isize) - + *aj.offset((j_prim - 1 as i32) as isize); + let mut aij: f64 = + *ai.offset((i_prim - 1 as i32) as isize) + *aj.offset((j_prim - 1 as i32) as isize); let mut theta: f64 = omega2 / (omega2 + aij); - expcutoff - += lij as f64 - * ((dist_ij + theta * r_guess + 1.0f64) / (dist_ij + 1.0f64)).ln(); + expcutoff += + lij as f64 * ((dist_ij + theta * r_guess + 1.0f64) / (dist_ij + 1.0f64)).ln(); } if lkl > 0 as i32 { let mut dist_kl: f64 = (rr_kl).sqrt(); - let mut akl: f64 = *ak - .offset((k_prim - 1 as i32) as isize) - + *al.offset((l_prim - 1 as i32) as isize); + let mut akl: f64 = + *ak.offset((k_prim - 1 as i32) as isize) + *al.offset((l_prim - 1 as i32) as isize); let mut theta_0: f64 = omega2 / (omega2 + akl); - expcutoff - += lkl as f64 - * ((dist_kl + theta_0 * r_guess + 1.0f64) / (dist_kl + 1.0f64)).ln(); + expcutoff += + lkl as f64 * ((dist_kl + theta_0 * r_guess + 1.0f64) / (dist_kl + 1.0f64)).ln(); } } let mut nc: i32 = 1 as i32; - let mut leng: u64 = ((*envs).g_size * 3 as i32 - * (((1 as i32) << (*envs).gbits) + 1 as i32)) as u64; + let mut leng: u64 = + ((*envs).g_size * 3 as i32 * (((1 as i32) << (*envs).gbits) + 1 as i32)) as u64; let mut len0: u64 = nf.wrapping_mul(n_comp as u64); let mut len: u64 = leng.wrapping_add(len0); let mut gout: *mut f64 = 0 as *mut f64; let mut g: *mut f64 = 0 as *mut f64; - g = ((cache as uintptr_t).wrapping_add(7 as u64) - & (8 as uintptr_t).wrapping_neg()) as *mut libc::c_void - as *mut f64; + g = ((cache as uintptr_t).wrapping_add(7 as u64) & (8 as uintptr_t).wrapping_neg()) + as *mut libc::c_void as *mut f64; cache = g.offset(len as isize); if n_comp == 1 as i32 { gout = gctr; @@ -814,27 +671,19 @@ pub unsafe extern "C" fn CINT2e_1111_loop( ip = 0 as i32; while ip < i_prim { if !((*pdata_ij).cceij > eijcutoff) { - (*envs) - .ai[0 as usize] = *ai.offset(ip as isize); + (*envs).ai[0 as usize] = *ai.offset(ip as isize); expij = (*pdata_ij).eij; rij = ((*pdata_ij).rij).as_mut_ptr(); fac1i = fac1j * *ci.offset(ip as isize) * expij * expkl; (*envs).fac[0 as usize] = fac1i; cutoff = eijcutoff - (*pdata_ij).cceij; - if ::core::mem::transmute::< - _, - fn(_, _, _, _, _) -> i32, - >( - (Some( - ((*envs).f_g0_2e).expect("non-null function pointer"), - )) + if ::core::mem::transmute::<_, fn(_, _, _, _, _) -> i32>( + (Some(((*envs).f_g0_2e).expect("non-null function pointer"))) .expect("non-null function pointer"), - )(g, rij, rkl, cutoff, envs) != 0 + )(g, rij, rkl, cutoff, envs) + != 0 { - ::core::mem::transmute::< - _, - fn(_, _, _, _, _), - >( + ::core::mem::transmute::<_, fn(_, _, _, _, _)>( (Some(((*envs).f_gout).expect("non-null function pointer"))) .expect("non-null function pointer"), )(gout, g, idx, envs, *gempty); @@ -860,20 +709,10 @@ pub unsafe extern "C" fn CINT2e_1111_loop( } if n_comp > 1 as i32 && *gempty == 0 { if *empty != 0 { - CINTdmat_transpose( - gctr, - gout, - nf.wrapping_mul(nc as u64) as i32, - n_comp, - ); + CINTdmat_transpose(gctr, gout, nf.wrapping_mul(nc as u64) as i32, n_comp); *empty = 0 as i32; } else { - CINTdplus_transpose( - gctr, - gout, - nf.wrapping_mul(nc as u64) as i32, - n_comp, - ); + CINTdplus_transpose(gctr, gout, nf.wrapping_mul(nc as u64) as i32, n_comp); } } return (*empty == 0) as i32; @@ -897,8 +736,7 @@ pub unsafe extern "C" fn CINT2e_n111_loop( && (*((*opt).pairdata).offset((i_sh * (*opt).nbas + j_sh) as isize) == 0xffffffffffffffff as u64 as *mut libc::c_void as *mut PairData || *((*opt).pairdata).offset((k_sh * (*opt).nbas + l_sh) as isize) - == 0xffffffffffffffff as u64 as *mut libc::c_void - as *mut PairData) + == 0xffffffffffffffff as u64 as *mut libc::c_void as *mut PairData) { return 0 as i32; } @@ -906,59 +744,25 @@ pub unsafe extern "C" fn CINT2e_n111_loop( let _j_ctr: i32 = (*envs).x_ctr[1 as usize]; let _k_ctr: i32 = (*envs).x_ctr[2 as usize]; let _l_ctr: i32 = (*envs).x_ctr[3 as usize]; - let mut i_prim: i32 = *bas - .offset((8 as i32 * i_sh + 2 as i32) as isize); - let mut j_prim: i32 = *bas - .offset((8 as i32 * j_sh + 2 as i32) as isize); - let mut k_prim: i32 = *bas - .offset((8 as i32 * k_sh + 2 as i32) as isize); - let mut l_prim: i32 = *bas - .offset((8 as i32 * l_sh + 2 as i32) as isize); - let mut ai: *mut f64 = env - .offset( - *bas.offset((8 as i32 * i_sh + 5 as i32) as isize) as isize, - ); - let mut aj: *mut f64 = env - .offset( - *bas.offset((8 as i32 * j_sh + 5 as i32) as isize) as isize, - ); - let mut ak: *mut f64 = env - .offset( - *bas.offset((8 as i32 * k_sh + 5 as i32) as isize) as isize, - ); - let mut al: *mut f64 = env - .offset( - *bas.offset((8 as i32 * l_sh + 5 as i32) as isize) as isize, - ); - let mut ci: *mut f64 = env - .offset( - *bas.offset((8 as i32 * i_sh + 6 as i32) as isize) as isize, - ); - let mut cj: *mut f64 = env - .offset( - *bas.offset((8 as i32 * j_sh + 6 as i32) as isize) as isize, - ); - let mut ck: *mut f64 = env - .offset( - *bas.offset((8 as i32 * k_sh + 6 as i32) as isize) as isize, - ); - let mut cl: *mut f64 = env - .offset( - *bas.offset((8 as i32 * l_sh + 6 as i32) as isize) as isize, - ); + let mut i_prim: i32 = *bas.offset((8 as i32 * i_sh + 2 as i32) as isize); + let mut j_prim: i32 = *bas.offset((8 as i32 * j_sh + 2 as i32) as isize); + let mut k_prim: i32 = *bas.offset((8 as i32 * k_sh + 2 as i32) as isize); + let mut l_prim: i32 = *bas.offset((8 as i32 * l_sh + 2 as i32) as isize); + let mut ai: *mut f64 = env.offset(*bas.offset((8 as i32 * i_sh + 5 as i32) as isize) as isize); + let mut aj: *mut f64 = env.offset(*bas.offset((8 as i32 * j_sh + 5 as i32) as isize) as isize); + let mut ak: *mut f64 = env.offset(*bas.offset((8 as i32 * k_sh + 5 as i32) as isize) as isize); + let mut al: *mut f64 = env.offset(*bas.offset((8 as i32 * l_sh + 5 as i32) as isize) as isize); + let mut ci: *mut f64 = env.offset(*bas.offset((8 as i32 * i_sh + 6 as i32) as isize) as isize); + let mut cj: *mut f64 = env.offset(*bas.offset((8 as i32 * j_sh + 6 as i32) as isize) as isize); + let mut ck: *mut f64 = env.offset(*bas.offset((8 as i32 * k_sh + 6 as i32) as isize) as isize); + let mut cl: *mut f64 = env.offset(*bas.offset((8 as i32 * l_sh + 6 as i32) as isize) as isize); let mut expcutoff: f64 = (*envs).expcutoff; - let mut rr_ij: f64 = (*envs).rirj[0 as usize] - * (*envs).rirj[0 as usize] - + (*envs).rirj[1 as usize] - * (*envs).rirj[1 as usize] - + (*envs).rirj[2 as usize] - * (*envs).rirj[2 as usize]; - let mut rr_kl: f64 = (*envs).rkrl[0 as usize] - * (*envs).rkrl[0 as usize] - + (*envs).rkrl[1 as usize] - * (*envs).rkrl[1 as usize] - + (*envs).rkrl[2 as usize] - * (*envs).rkrl[2 as usize]; + let mut rr_ij: f64 = (*envs).rirj[0 as usize] * (*envs).rirj[0 as usize] + + (*envs).rirj[1 as usize] * (*envs).rirj[1 as usize] + + (*envs).rirj[2 as usize] * (*envs).rirj[2 as usize]; + let mut rr_kl: f64 = (*envs).rkrl[0 as usize] * (*envs).rkrl[0 as usize] + + (*envs).rkrl[1 as usize] * (*envs).rkrl[1 as usize] + + (*envs).rkrl[2 as usize] * (*envs).rkrl[2 as usize]; let mut _pdata_ij: *mut PairData = 0 as *mut PairData; let mut _pdata_kl: *mut PairData = 0 as *mut PairData; let mut pdata_ij: *mut PairData = 0 as *mut PairData; @@ -967,15 +771,11 @@ pub unsafe extern "C" fn CINT2e_n111_loop( _pdata_ij = *((*opt).pairdata).offset((i_sh * (*opt).nbas + j_sh) as isize); _pdata_kl = *((*opt).pairdata).offset((k_sh * (*opt).nbas + l_sh) as isize); } else { - let mut log_maxci: *mut f64 = *((*opt).log_max_coeff) - .offset(i_sh as isize); - let mut log_maxcj: *mut f64 = *((*opt).log_max_coeff) - .offset(j_sh as isize); - _pdata_ij = ((cache as uintptr_t).wrapping_add(7 as u64) - & (8 as uintptr_t).wrapping_neg()) as *mut libc::c_void - as *mut PairData; - cache = _pdata_ij.offset((i_prim * j_prim + k_prim * l_prim) as isize) - as *mut f64; + let mut log_maxci: *mut f64 = *((*opt).log_max_coeff).offset(i_sh as isize); + let mut log_maxcj: *mut f64 = *((*opt).log_max_coeff).offset(j_sh as isize); + _pdata_ij = ((cache as uintptr_t).wrapping_add(7 as u64) & (8 as uintptr_t).wrapping_neg()) + as *mut libc::c_void as *mut PairData; + cache = _pdata_ij.offset((i_prim * j_prim + k_prim * l_prim) as isize) as *mut f64; if CINTset_pairdata( _pdata_ij, ai, @@ -995,10 +795,8 @@ pub unsafe extern "C" fn CINT2e_n111_loop( { return 0 as i32; } - let mut log_maxck: *mut f64 = *((*opt).log_max_coeff) - .offset(k_sh as isize); - let mut log_maxcl: *mut f64 = *((*opt).log_max_coeff) - .offset(l_sh as isize); + let mut log_maxck: *mut f64 = *((*opt).log_max_coeff).offset(k_sh as isize); + let mut log_maxcl: *mut f64 = *((*opt).log_max_coeff).offset(l_sh as isize); _pdata_kl = _pdata_ij.offset((i_prim * j_prim) as isize); if CINTset_pairdata( _pdata_kl, @@ -1020,8 +818,7 @@ pub unsafe extern "C" fn CINT2e_n111_loop( return 0 as i32; } } - let mut n_comp: i32 = (*envs).ncomp_e1 * (*envs).ncomp_e2 - * (*envs).ncomp_tensor; + let mut n_comp: i32 = (*envs).ncomp_e1 * (*envs).ncomp_e2 * (*envs).ncomp_tensor; let mut nf: u64 = (*envs).nf as u64; let mut fac1i: f64 = 0.; let mut fac1j: f64 = 0.; @@ -1031,28 +828,12 @@ pub unsafe extern "C" fn CINT2e_n111_loop( let mut jp: i32 = 0; let mut kp: i32 = 0; let mut lp: i32 = 0; - let mut _empty: [i32; 5] = [ - 1 as i32, - 1 as i32, - 1 as i32, - 1 as i32, - 1 as i32, - ]; - let mut iempty: *mut i32 = _empty - .as_mut_ptr() - .offset(0 as isize); - let _jempty: *mut i32 = _empty - .as_mut_ptr() - .offset(1 as isize); - let _kempty: *mut i32 = _empty - .as_mut_ptr() - .offset(2 as isize); - let _lempty: *mut i32 = _empty - .as_mut_ptr() - .offset(3 as isize); - let _gempty: *mut i32 = _empty - .as_mut_ptr() - .offset(4 as isize); + let mut _empty: [i32; 5] = [1 as i32, 1 as i32, 1 as i32, 1 as i32, 1 as i32]; + let mut iempty: *mut i32 = _empty.as_mut_ptr().offset(0 as isize); + let _jempty: *mut i32 = _empty.as_mut_ptr().offset(1 as isize); + let _kempty: *mut i32 = _empty.as_mut_ptr().offset(2 as isize); + let _lempty: *mut i32 = _empty.as_mut_ptr().offset(3 as isize); + let _gempty: *mut i32 = _empty.as_mut_ptr().offset(4 as isize); let mut non0ctri: *mut i32 = *((*opt).non0ctr).offset(i_sh as isize); let _non0ctrj: *mut i32 = *((*opt).non0ctr).offset(j_sh as isize); let _non0ctrk: *mut i32 = *((*opt).non0ctr).offset(k_sh as isize); @@ -1069,60 +850,50 @@ pub unsafe extern "C" fn CINT2e_n111_loop( eklcutoff = expcutoff; let mut rij: *mut f64 = 0 as *mut f64; let mut rkl: *mut f64 = 0 as *mut f64; - let mut idx: *mut i32 = *((*opt).index_xyz_array) - .offset( - ((*envs).i_l * 16 as i32 * 16 as i32 * 16 as i32 - + (*envs).j_l * 16 as i32 * 16 as i32 - + (*envs).k_l * 16 as i32 + (*envs).l_l) as isize, - ); + let mut idx: *mut i32 = *((*opt).index_xyz_array).offset( + ((*envs).i_l * 16 as i32 * 16 as i32 * 16 as i32 + + (*envs).j_l * 16 as i32 * 16 as i32 + + (*envs).k_l * 16 as i32 + + (*envs).l_l) as isize, + ); if idx.is_null() { - idx = ((cache as uintptr_t).wrapping_add(7 as u64) - & (8 as uintptr_t).wrapping_neg()) as *mut libc::c_void - as *mut i32; - cache = idx.offset(nf.wrapping_mul(3 as u64) as isize) - as *mut f64; + idx = ((cache as uintptr_t).wrapping_add(7 as u64) & (8 as uintptr_t).wrapping_neg()) + as *mut libc::c_void as *mut i32; + cache = idx.offset(nf.wrapping_mul(3 as u64) as isize) as *mut f64; CINTg2e_index_xyz(idx, &*envs); } let mut omega: f64 = *env.offset(8 as isize); - if omega < 0 as f64 && (*envs).rys_order > 1 as i32 - { + if omega < 0 as f64 && (*envs).rys_order > 1 as i32 { let mut r_guess: f64 = 8.0f64; let mut omega2: f64 = omega * omega; let mut lij: i32 = (*envs).li_ceil + (*envs).lj_ceil; let mut lkl: i32 = (*envs).lk_ceil + (*envs).ll_ceil; if lij > 0 as i32 { let mut dist_ij: f64 = (rr_ij).sqrt(); - let mut aij: f64 = *ai - .offset((i_prim - 1 as i32) as isize) - + *aj.offset((j_prim - 1 as i32) as isize); + let mut aij: f64 = + *ai.offset((i_prim - 1 as i32) as isize) + *aj.offset((j_prim - 1 as i32) as isize); let mut theta: f64 = omega2 / (omega2 + aij); - expcutoff - += lij as f64 - * ((dist_ij + theta * r_guess + 1.0f64) / (dist_ij + 1.0f64)).ln(); + expcutoff += + lij as f64 * ((dist_ij + theta * r_guess + 1.0f64) / (dist_ij + 1.0f64)).ln(); } if lkl > 0 as i32 { let mut dist_kl: f64 = (rr_kl).sqrt(); - let mut akl: f64 = *ak - .offset((k_prim - 1 as i32) as isize) - + *al.offset((l_prim - 1 as i32) as isize); + let mut akl: f64 = + *ak.offset((k_prim - 1 as i32) as isize) + *al.offset((l_prim - 1 as i32) as isize); let mut theta_0: f64 = omega2 / (omega2 + akl); - expcutoff - += lkl as f64 - * ((dist_kl + theta_0 * r_guess + 1.0f64) / (dist_kl + 1.0f64)).ln(); + expcutoff += + lkl as f64 * ((dist_kl + theta_0 * r_guess + 1.0f64) / (dist_kl + 1.0f64)).ln(); } } let mut nc: i32 = i_ctr; - let mut leng: u64 = ((*envs).g_size * 3 as i32 - * (((1 as i32) << (*envs).gbits) + 1 as i32)) as u64; - let mut leni: u64 = nf - .wrapping_mul(i_ctr as u64) - .wrapping_mul(n_comp as u64); + let mut leng: u64 = + ((*envs).g_size * 3 as i32 * (((1 as i32) << (*envs).gbits) + 1 as i32)) as u64; + let mut leni: u64 = nf.wrapping_mul(i_ctr as u64).wrapping_mul(n_comp as u64); let mut len0: u64 = nf.wrapping_mul(n_comp as u64); let mut len: u64 = leng.wrapping_add(leni).wrapping_add(len0); let mut g: *mut f64 = 0 as *mut f64; - g = ((cache as uintptr_t).wrapping_add(7 as u64) - & (8 as uintptr_t).wrapping_neg()) as *mut libc::c_void - as *mut f64; + g = ((cache as uintptr_t).wrapping_add(7 as u64) & (8 as uintptr_t).wrapping_neg()) + as *mut libc::c_void as *mut f64; cache = g.offset(len as isize); let mut g1: *mut f64 = g.offset(leng as isize); let mut gout: *mut f64 = 0 as *mut f64; @@ -1157,30 +928,26 @@ pub unsafe extern "C" fn CINT2e_n111_loop( while ip < i_prim { if !((*pdata_ij).cceij > eijcutoff) { if !((*pdata_ij).cceij > eijcutoff) { - (*envs) - .ai[0 as usize] = *ai.offset(ip as isize); + (*envs).ai[0 as usize] = *ai.offset(ip as isize); expij = (*pdata_ij).eij; rij = ((*pdata_ij).rij).as_mut_ptr(); cutoff = eijcutoff - (*pdata_ij).cceij; fac1i = fac1j * expij * expkl; (*envs).fac[0 as usize] = fac1i; - if ::core::mem::transmute::< - _, - fn(_, _, _, _, _) -> i32, - >( - (Some( - ((*envs).f_g0_2e).expect("non-null function pointer"), - )) + if ::core::mem::transmute::<_, fn(_, _, _, _, _) -> i32>( + (Some(((*envs).f_g0_2e).expect("non-null function pointer"))) .expect("non-null function pointer"), - )(g, rij, rkl, cutoff, envs) != 0 + )(g, rij, rkl, cutoff, envs) + != 0 { - ::core::mem::transmute::< - _, - fn(_, _, _, _, _), - >( - (Some(((*envs).f_gout).expect("non-null function pointer"))) - .expect("non-null function pointer"), - )(gout, g, idx, envs, 1 as i32); + ::core::mem::transmute::<_, fn(_, _, _, _, _)>( + (Some( + ((*envs).f_gout).expect("non-null function pointer"), + )) + .expect("non-null function pointer"), + )( + gout, g, idx, envs, 1 as i32 + ); if i_ctr > 1 as i32 { if *iempty != 0 { CINTprim_to_ctr_0( @@ -1229,20 +996,10 @@ pub unsafe extern "C" fn CINT2e_n111_loop( } if n_comp > 1 as i32 && *iempty == 0 { if *empty != 0 { - CINTdmat_transpose( - gctr, - gctri, - nf.wrapping_mul(nc as u64) as i32, - n_comp, - ); + CINTdmat_transpose(gctr, gctri, nf.wrapping_mul(nc as u64) as i32, n_comp); *empty = 0 as i32; } else { - CINTdplus_transpose( - gctr, - gctri, - nf.wrapping_mul(nc as u64) as i32, - n_comp, - ); + CINTdplus_transpose(gctr, gctri, nf.wrapping_mul(nc as u64) as i32, n_comp); } } return (*empty == 0) as i32; @@ -1266,8 +1023,7 @@ pub unsafe extern "C" fn CINT2e_1n11_loop( && (*((*opt).pairdata).offset((i_sh * (*opt).nbas + j_sh) as isize) == 0xffffffffffffffff as u64 as *mut libc::c_void as *mut PairData || *((*opt).pairdata).offset((k_sh * (*opt).nbas + l_sh) as isize) - == 0xffffffffffffffff as u64 as *mut libc::c_void - as *mut PairData) + == 0xffffffffffffffff as u64 as *mut libc::c_void as *mut PairData) { return 0 as i32; } @@ -1275,59 +1031,25 @@ pub unsafe extern "C" fn CINT2e_1n11_loop( let mut j_ctr: i32 = (*envs).x_ctr[1 as usize]; let _k_ctr: i32 = (*envs).x_ctr[2 as usize]; let _l_ctr: i32 = (*envs).x_ctr[3 as usize]; - let mut i_prim: i32 = *bas - .offset((8 as i32 * i_sh + 2 as i32) as isize); - let mut j_prim: i32 = *bas - .offset((8 as i32 * j_sh + 2 as i32) as isize); - let mut k_prim: i32 = *bas - .offset((8 as i32 * k_sh + 2 as i32) as isize); - let mut l_prim: i32 = *bas - .offset((8 as i32 * l_sh + 2 as i32) as isize); - let mut ai: *mut f64 = env - .offset( - *bas.offset((8 as i32 * i_sh + 5 as i32) as isize) as isize, - ); - let mut aj: *mut f64 = env - .offset( - *bas.offset((8 as i32 * j_sh + 5 as i32) as isize) as isize, - ); - let mut ak: *mut f64 = env - .offset( - *bas.offset((8 as i32 * k_sh + 5 as i32) as isize) as isize, - ); - let mut al: *mut f64 = env - .offset( - *bas.offset((8 as i32 * l_sh + 5 as i32) as isize) as isize, - ); - let mut ci: *mut f64 = env - .offset( - *bas.offset((8 as i32 * i_sh + 6 as i32) as isize) as isize, - ); - let mut cj: *mut f64 = env - .offset( - *bas.offset((8 as i32 * j_sh + 6 as i32) as isize) as isize, - ); - let mut ck: *mut f64 = env - .offset( - *bas.offset((8 as i32 * k_sh + 6 as i32) as isize) as isize, - ); - let mut cl: *mut f64 = env - .offset( - *bas.offset((8 as i32 * l_sh + 6 as i32) as isize) as isize, - ); + let mut i_prim: i32 = *bas.offset((8 as i32 * i_sh + 2 as i32) as isize); + let mut j_prim: i32 = *bas.offset((8 as i32 * j_sh + 2 as i32) as isize); + let mut k_prim: i32 = *bas.offset((8 as i32 * k_sh + 2 as i32) as isize); + let mut l_prim: i32 = *bas.offset((8 as i32 * l_sh + 2 as i32) as isize); + let mut ai: *mut f64 = env.offset(*bas.offset((8 as i32 * i_sh + 5 as i32) as isize) as isize); + let mut aj: *mut f64 = env.offset(*bas.offset((8 as i32 * j_sh + 5 as i32) as isize) as isize); + let mut ak: *mut f64 = env.offset(*bas.offset((8 as i32 * k_sh + 5 as i32) as isize) as isize); + let mut al: *mut f64 = env.offset(*bas.offset((8 as i32 * l_sh + 5 as i32) as isize) as isize); + let mut ci: *mut f64 = env.offset(*bas.offset((8 as i32 * i_sh + 6 as i32) as isize) as isize); + let mut cj: *mut f64 = env.offset(*bas.offset((8 as i32 * j_sh + 6 as i32) as isize) as isize); + let mut ck: *mut f64 = env.offset(*bas.offset((8 as i32 * k_sh + 6 as i32) as isize) as isize); + let mut cl: *mut f64 = env.offset(*bas.offset((8 as i32 * l_sh + 6 as i32) as isize) as isize); let mut expcutoff: f64 = (*envs).expcutoff; - let mut rr_ij: f64 = (*envs).rirj[0 as usize] - * (*envs).rirj[0 as usize] - + (*envs).rirj[1 as usize] - * (*envs).rirj[1 as usize] - + (*envs).rirj[2 as usize] - * (*envs).rirj[2 as usize]; - let mut rr_kl: f64 = (*envs).rkrl[0 as usize] - * (*envs).rkrl[0 as usize] - + (*envs).rkrl[1 as usize] - * (*envs).rkrl[1 as usize] - + (*envs).rkrl[2 as usize] - * (*envs).rkrl[2 as usize]; + let mut rr_ij: f64 = (*envs).rirj[0 as usize] * (*envs).rirj[0 as usize] + + (*envs).rirj[1 as usize] * (*envs).rirj[1 as usize] + + (*envs).rirj[2 as usize] * (*envs).rirj[2 as usize]; + let mut rr_kl: f64 = (*envs).rkrl[0 as usize] * (*envs).rkrl[0 as usize] + + (*envs).rkrl[1 as usize] * (*envs).rkrl[1 as usize] + + (*envs).rkrl[2 as usize] * (*envs).rkrl[2 as usize]; let mut _pdata_ij: *mut PairData = 0 as *mut PairData; let mut _pdata_kl: *mut PairData = 0 as *mut PairData; let mut pdata_ij: *mut PairData = 0 as *mut PairData; @@ -1336,15 +1058,11 @@ pub unsafe extern "C" fn CINT2e_1n11_loop( _pdata_ij = *((*opt).pairdata).offset((i_sh * (*opt).nbas + j_sh) as isize); _pdata_kl = *((*opt).pairdata).offset((k_sh * (*opt).nbas + l_sh) as isize); } else { - let mut log_maxci: *mut f64 = *((*opt).log_max_coeff) - .offset(i_sh as isize); - let mut log_maxcj: *mut f64 = *((*opt).log_max_coeff) - .offset(j_sh as isize); - _pdata_ij = ((cache as uintptr_t).wrapping_add(7 as u64) - & (8 as uintptr_t).wrapping_neg()) as *mut libc::c_void - as *mut PairData; - cache = _pdata_ij.offset((i_prim * j_prim + k_prim * l_prim) as isize) - as *mut f64; + let mut log_maxci: *mut f64 = *((*opt).log_max_coeff).offset(i_sh as isize); + let mut log_maxcj: *mut f64 = *((*opt).log_max_coeff).offset(j_sh as isize); + _pdata_ij = ((cache as uintptr_t).wrapping_add(7 as u64) & (8 as uintptr_t).wrapping_neg()) + as *mut libc::c_void as *mut PairData; + cache = _pdata_ij.offset((i_prim * j_prim + k_prim * l_prim) as isize) as *mut f64; if CINTset_pairdata( _pdata_ij, ai, @@ -1364,10 +1082,8 @@ pub unsafe extern "C" fn CINT2e_1n11_loop( { return 0 as i32; } - let mut log_maxck: *mut f64 = *((*opt).log_max_coeff) - .offset(k_sh as isize); - let mut log_maxcl: *mut f64 = *((*opt).log_max_coeff) - .offset(l_sh as isize); + let mut log_maxck: *mut f64 = *((*opt).log_max_coeff).offset(k_sh as isize); + let mut log_maxcl: *mut f64 = *((*opt).log_max_coeff).offset(l_sh as isize); _pdata_kl = _pdata_ij.offset((i_prim * j_prim) as isize); if CINTset_pairdata( _pdata_kl, @@ -1389,8 +1105,7 @@ pub unsafe extern "C" fn CINT2e_1n11_loop( return 0 as i32; } } - let mut n_comp: i32 = (*envs).ncomp_e1 * (*envs).ncomp_e2 - * (*envs).ncomp_tensor; + let mut n_comp: i32 = (*envs).ncomp_e1 * (*envs).ncomp_e2 * (*envs).ncomp_tensor; let mut nf: u64 = (*envs).nf as u64; let mut fac1i: f64 = 0.; let mut fac1j: f64 = 0.; @@ -1400,28 +1115,12 @@ pub unsafe extern "C" fn CINT2e_1n11_loop( let mut jp: i32 = 0; let mut kp: i32 = 0; let mut lp: i32 = 0; - let mut _empty: [i32; 5] = [ - 1 as i32, - 1 as i32, - 1 as i32, - 1 as i32, - 1 as i32, - ]; - let mut iempty: *mut i32 = _empty - .as_mut_ptr() - .offset(0 as isize); - let mut jempty: *mut i32 = _empty - .as_mut_ptr() - .offset(1 as isize); - let _kempty: *mut i32 = _empty - .as_mut_ptr() - .offset(2 as isize); - let _lempty: *mut i32 = _empty - .as_mut_ptr() - .offset(3 as isize); - let _gempty: *mut i32 = _empty - .as_mut_ptr() - .offset(4 as isize); + let mut _empty: [i32; 5] = [1 as i32, 1 as i32, 1 as i32, 1 as i32, 1 as i32]; + let mut iempty: *mut i32 = _empty.as_mut_ptr().offset(0 as isize); + let mut jempty: *mut i32 = _empty.as_mut_ptr().offset(1 as isize); + let _kempty: *mut i32 = _empty.as_mut_ptr().offset(2 as isize); + let _lempty: *mut i32 = _empty.as_mut_ptr().offset(3 as isize); + let _gempty: *mut i32 = _empty.as_mut_ptr().offset(4 as isize); let _non0ctri: *mut i32 = *((*opt).non0ctr).offset(i_sh as isize); let mut non0ctrj: *mut i32 = *((*opt).non0ctr).offset(j_sh as isize); let _non0ctrk: *mut i32 = *((*opt).non0ctr).offset(k_sh as isize); @@ -1438,60 +1137,50 @@ pub unsafe extern "C" fn CINT2e_1n11_loop( eklcutoff = expcutoff; let mut rij: *mut f64 = 0 as *mut f64; let mut rkl: *mut f64 = 0 as *mut f64; - let mut idx: *mut i32 = *((*opt).index_xyz_array) - .offset( - ((*envs).i_l * 16 as i32 * 16 as i32 * 16 as i32 - + (*envs).j_l * 16 as i32 * 16 as i32 - + (*envs).k_l * 16 as i32 + (*envs).l_l) as isize, - ); + let mut idx: *mut i32 = *((*opt).index_xyz_array).offset( + ((*envs).i_l * 16 as i32 * 16 as i32 * 16 as i32 + + (*envs).j_l * 16 as i32 * 16 as i32 + + (*envs).k_l * 16 as i32 + + (*envs).l_l) as isize, + ); if idx.is_null() { - idx = ((cache as uintptr_t).wrapping_add(7 as u64) - & (8 as uintptr_t).wrapping_neg()) as *mut libc::c_void - as *mut i32; - cache = idx.offset(nf.wrapping_mul(3 as u64) as isize) - as *mut f64; + idx = ((cache as uintptr_t).wrapping_add(7 as u64) & (8 as uintptr_t).wrapping_neg()) + as *mut libc::c_void as *mut i32; + cache = idx.offset(nf.wrapping_mul(3 as u64) as isize) as *mut f64; CINTg2e_index_xyz(idx, &*envs); } let mut omega: f64 = *env.offset(8 as isize); - if omega < 0 as f64 && (*envs).rys_order > 1 as i32 - { + if omega < 0 as f64 && (*envs).rys_order > 1 as i32 { let mut r_guess: f64 = 8.0f64; let mut omega2: f64 = omega * omega; let mut lij: i32 = (*envs).li_ceil + (*envs).lj_ceil; let mut lkl: i32 = (*envs).lk_ceil + (*envs).ll_ceil; if lij > 0 as i32 { let mut dist_ij: f64 = (rr_ij).sqrt(); - let mut aij: f64 = *ai - .offset((i_prim - 1 as i32) as isize) - + *aj.offset((j_prim - 1 as i32) as isize); + let mut aij: f64 = + *ai.offset((i_prim - 1 as i32) as isize) + *aj.offset((j_prim - 1 as i32) as isize); let mut theta: f64 = omega2 / (omega2 + aij); - expcutoff - += lij as f64 - * ((dist_ij + theta * r_guess + 1.0f64) / (dist_ij + 1.0f64)).ln(); + expcutoff += + lij as f64 * ((dist_ij + theta * r_guess + 1.0f64) / (dist_ij + 1.0f64)).ln(); } if lkl > 0 as i32 { let mut dist_kl: f64 = (rr_kl).sqrt(); - let mut akl: f64 = *ak - .offset((k_prim - 1 as i32) as isize) - + *al.offset((l_prim - 1 as i32) as isize); + let mut akl: f64 = + *ak.offset((k_prim - 1 as i32) as isize) + *al.offset((l_prim - 1 as i32) as isize); let mut theta_0: f64 = omega2 / (omega2 + akl); - expcutoff - += lkl as f64 - * ((dist_kl + theta_0 * r_guess + 1.0f64) / (dist_kl + 1.0f64)).ln(); + expcutoff += + lkl as f64 * ((dist_kl + theta_0 * r_guess + 1.0f64) / (dist_kl + 1.0f64)).ln(); } } let mut nc: i32 = j_ctr; - let mut leng: u64 = ((*envs).g_size * 3 as i32 - * (((1 as i32) << (*envs).gbits) + 1 as i32)) as u64; - let mut lenj: u64 = nf - .wrapping_mul(j_ctr as u64) - .wrapping_mul(n_comp as u64); + let mut leng: u64 = + ((*envs).g_size * 3 as i32 * (((1 as i32) << (*envs).gbits) + 1 as i32)) as u64; + let mut lenj: u64 = nf.wrapping_mul(j_ctr as u64).wrapping_mul(n_comp as u64); let mut len0: u64 = nf.wrapping_mul(n_comp as u64); let mut len: u64 = leng.wrapping_add(lenj).wrapping_add(len0); let mut g: *mut f64 = 0 as *mut f64; - g = ((cache as uintptr_t).wrapping_add(7 as u64) - & (8 as uintptr_t).wrapping_neg()) as *mut libc::c_void - as *mut f64; + g = ((cache as uintptr_t).wrapping_add(7 as u64) & (8 as uintptr_t).wrapping_neg()) + as *mut libc::c_void as *mut f64; cache = g.offset(len as isize); let mut g1: *mut f64 = g.offset(leng as isize); let mut gout: *mut f64 = 0 as *mut f64; @@ -1526,27 +1215,19 @@ pub unsafe extern "C" fn CINT2e_1n11_loop( ip = 0 as i32; while ip < i_prim { if !((*pdata_ij).cceij > eijcutoff) { - (*envs) - .ai[0 as usize] = *ai.offset(ip as isize); + (*envs).ai[0 as usize] = *ai.offset(ip as isize); expij = (*pdata_ij).eij; rij = ((*pdata_ij).rij).as_mut_ptr(); cutoff = eijcutoff - (*pdata_ij).cceij; fac1i = fac1j * *ci.offset(ip as isize) * expij * expkl; (*envs).fac[0 as usize] = fac1i; - if ::core::mem::transmute::< - _, - fn(_, _, _, _, _) -> i32, - >( - (Some( - ((*envs).f_g0_2e).expect("non-null function pointer"), - )) + if ::core::mem::transmute::<_, fn(_, _, _, _, _) -> i32>( + (Some(((*envs).f_g0_2e).expect("non-null function pointer"))) .expect("non-null function pointer"), - )(g, rij, rkl, cutoff, envs) != 0 + )(g, rij, rkl, cutoff, envs) + != 0 { - ::core::mem::transmute::< - _, - fn(_, _, _, _, _), - >( + ::core::mem::transmute::<_, fn(_, _, _, _, _)>( (Some(((*envs).f_gout).expect("non-null function pointer"))) .expect("non-null function pointer"), )(gout, g, idx, envs, *iempty); @@ -1600,20 +1281,10 @@ pub unsafe extern "C" fn CINT2e_1n11_loop( } if n_comp > 1 as i32 && *jempty == 0 { if *empty != 0 { - CINTdmat_transpose( - gctr, - gctrj, - nf.wrapping_mul(nc as u64) as i32, - n_comp, - ); + CINTdmat_transpose(gctr, gctrj, nf.wrapping_mul(nc as u64) as i32, n_comp); *empty = 0 as i32; } else { - CINTdplus_transpose( - gctr, - gctrj, - nf.wrapping_mul(nc as u64) as i32, - n_comp, - ); + CINTdplus_transpose(gctr, gctrj, nf.wrapping_mul(nc as u64) as i32, n_comp); } } return (*empty == 0) as i32; @@ -1637,8 +1308,7 @@ pub unsafe extern "C" fn CINT2e_11n1_loop( && (*((*opt).pairdata).offset((i_sh * (*opt).nbas + j_sh) as isize) == 0xffffffffffffffff as u64 as *mut libc::c_void as *mut PairData || *((*opt).pairdata).offset((k_sh * (*opt).nbas + l_sh) as isize) - == 0xffffffffffffffff as u64 as *mut libc::c_void - as *mut PairData) + == 0xffffffffffffffff as u64 as *mut libc::c_void as *mut PairData) { return 0 as i32; } @@ -1646,59 +1316,25 @@ pub unsafe extern "C" fn CINT2e_11n1_loop( let _j_ctr: i32 = (*envs).x_ctr[1 as usize]; let mut k_ctr: i32 = (*envs).x_ctr[2 as usize]; let _l_ctr: i32 = (*envs).x_ctr[3 as usize]; - let mut i_prim: i32 = *bas - .offset((8 as i32 * i_sh + 2 as i32) as isize); - let mut j_prim: i32 = *bas - .offset((8 as i32 * j_sh + 2 as i32) as isize); - let mut k_prim: i32 = *bas - .offset((8 as i32 * k_sh + 2 as i32) as isize); - let mut l_prim: i32 = *bas - .offset((8 as i32 * l_sh + 2 as i32) as isize); - let mut ai: *mut f64 = env - .offset( - *bas.offset((8 as i32 * i_sh + 5 as i32) as isize) as isize, - ); - let mut aj: *mut f64 = env - .offset( - *bas.offset((8 as i32 * j_sh + 5 as i32) as isize) as isize, - ); - let mut ak: *mut f64 = env - .offset( - *bas.offset((8 as i32 * k_sh + 5 as i32) as isize) as isize, - ); - let mut al: *mut f64 = env - .offset( - *bas.offset((8 as i32 * l_sh + 5 as i32) as isize) as isize, - ); - let mut ci: *mut f64 = env - .offset( - *bas.offset((8 as i32 * i_sh + 6 as i32) as isize) as isize, - ); - let mut cj: *mut f64 = env - .offset( - *bas.offset((8 as i32 * j_sh + 6 as i32) as isize) as isize, - ); - let mut ck: *mut f64 = env - .offset( - *bas.offset((8 as i32 * k_sh + 6 as i32) as isize) as isize, - ); - let mut cl: *mut f64 = env - .offset( - *bas.offset((8 as i32 * l_sh + 6 as i32) as isize) as isize, - ); + let mut i_prim: i32 = *bas.offset((8 as i32 * i_sh + 2 as i32) as isize); + let mut j_prim: i32 = *bas.offset((8 as i32 * j_sh + 2 as i32) as isize); + let mut k_prim: i32 = *bas.offset((8 as i32 * k_sh + 2 as i32) as isize); + let mut l_prim: i32 = *bas.offset((8 as i32 * l_sh + 2 as i32) as isize); + let mut ai: *mut f64 = env.offset(*bas.offset((8 as i32 * i_sh + 5 as i32) as isize) as isize); + let mut aj: *mut f64 = env.offset(*bas.offset((8 as i32 * j_sh + 5 as i32) as isize) as isize); + let mut ak: *mut f64 = env.offset(*bas.offset((8 as i32 * k_sh + 5 as i32) as isize) as isize); + let mut al: *mut f64 = env.offset(*bas.offset((8 as i32 * l_sh + 5 as i32) as isize) as isize); + let mut ci: *mut f64 = env.offset(*bas.offset((8 as i32 * i_sh + 6 as i32) as isize) as isize); + let mut cj: *mut f64 = env.offset(*bas.offset((8 as i32 * j_sh + 6 as i32) as isize) as isize); + let mut ck: *mut f64 = env.offset(*bas.offset((8 as i32 * k_sh + 6 as i32) as isize) as isize); + let mut cl: *mut f64 = env.offset(*bas.offset((8 as i32 * l_sh + 6 as i32) as isize) as isize); let mut expcutoff: f64 = (*envs).expcutoff; - let mut rr_ij: f64 = (*envs).rirj[0 as usize] - * (*envs).rirj[0 as usize] - + (*envs).rirj[1 as usize] - * (*envs).rirj[1 as usize] - + (*envs).rirj[2 as usize] - * (*envs).rirj[2 as usize]; - let mut rr_kl: f64 = (*envs).rkrl[0 as usize] - * (*envs).rkrl[0 as usize] - + (*envs).rkrl[1 as usize] - * (*envs).rkrl[1 as usize] - + (*envs).rkrl[2 as usize] - * (*envs).rkrl[2 as usize]; + let mut rr_ij: f64 = (*envs).rirj[0 as usize] * (*envs).rirj[0 as usize] + + (*envs).rirj[1 as usize] * (*envs).rirj[1 as usize] + + (*envs).rirj[2 as usize] * (*envs).rirj[2 as usize]; + let mut rr_kl: f64 = (*envs).rkrl[0 as usize] * (*envs).rkrl[0 as usize] + + (*envs).rkrl[1 as usize] * (*envs).rkrl[1 as usize] + + (*envs).rkrl[2 as usize] * (*envs).rkrl[2 as usize]; let mut _pdata_ij: *mut PairData = 0 as *mut PairData; let mut _pdata_kl: *mut PairData = 0 as *mut PairData; let mut pdata_ij: *mut PairData = 0 as *mut PairData; @@ -1707,15 +1343,11 @@ pub unsafe extern "C" fn CINT2e_11n1_loop( _pdata_ij = *((*opt).pairdata).offset((i_sh * (*opt).nbas + j_sh) as isize); _pdata_kl = *((*opt).pairdata).offset((k_sh * (*opt).nbas + l_sh) as isize); } else { - let mut log_maxci: *mut f64 = *((*opt).log_max_coeff) - .offset(i_sh as isize); - let mut log_maxcj: *mut f64 = *((*opt).log_max_coeff) - .offset(j_sh as isize); - _pdata_ij = ((cache as uintptr_t).wrapping_add(7 as u64) - & (8 as uintptr_t).wrapping_neg()) as *mut libc::c_void - as *mut PairData; - cache = _pdata_ij.offset((i_prim * j_prim + k_prim * l_prim) as isize) - as *mut f64; + let mut log_maxci: *mut f64 = *((*opt).log_max_coeff).offset(i_sh as isize); + let mut log_maxcj: *mut f64 = *((*opt).log_max_coeff).offset(j_sh as isize); + _pdata_ij = ((cache as uintptr_t).wrapping_add(7 as u64) & (8 as uintptr_t).wrapping_neg()) + as *mut libc::c_void as *mut PairData; + cache = _pdata_ij.offset((i_prim * j_prim + k_prim * l_prim) as isize) as *mut f64; if CINTset_pairdata( _pdata_ij, ai, @@ -1735,10 +1367,8 @@ pub unsafe extern "C" fn CINT2e_11n1_loop( { return 0 as i32; } - let mut log_maxck: *mut f64 = *((*opt).log_max_coeff) - .offset(k_sh as isize); - let mut log_maxcl: *mut f64 = *((*opt).log_max_coeff) - .offset(l_sh as isize); + let mut log_maxck: *mut f64 = *((*opt).log_max_coeff).offset(k_sh as isize); + let mut log_maxcl: *mut f64 = *((*opt).log_max_coeff).offset(l_sh as isize); _pdata_kl = _pdata_ij.offset((i_prim * j_prim) as isize); if CINTset_pairdata( _pdata_kl, @@ -1760,8 +1390,7 @@ pub unsafe extern "C" fn CINT2e_11n1_loop( return 0 as i32; } } - let mut n_comp: i32 = (*envs).ncomp_e1 * (*envs).ncomp_e2 - * (*envs).ncomp_tensor; + let mut n_comp: i32 = (*envs).ncomp_e1 * (*envs).ncomp_e2 * (*envs).ncomp_tensor; let mut nf: u64 = (*envs).nf as u64; let mut fac1i: f64 = 0.; let mut fac1j: f64 = 0.; @@ -1771,28 +1400,12 @@ pub unsafe extern "C" fn CINT2e_11n1_loop( let mut jp: i32 = 0; let mut kp: i32 = 0; let mut lp: i32 = 0; - let mut _empty: [i32; 5] = [ - 1 as i32, - 1 as i32, - 1 as i32, - 1 as i32, - 1 as i32, - ]; - let _iempty: *mut i32 = _empty - .as_mut_ptr() - .offset(0 as isize); - let mut jempty: *mut i32 = _empty - .as_mut_ptr() - .offset(1 as isize); - let mut kempty: *mut i32 = _empty - .as_mut_ptr() - .offset(2 as isize); - let _lempty: *mut i32 = _empty - .as_mut_ptr() - .offset(3 as isize); - let _gempty: *mut i32 = _empty - .as_mut_ptr() - .offset(4 as isize); + let mut _empty: [i32; 5] = [1 as i32, 1 as i32, 1 as i32, 1 as i32, 1 as i32]; + let _iempty: *mut i32 = _empty.as_mut_ptr().offset(0 as isize); + let mut jempty: *mut i32 = _empty.as_mut_ptr().offset(1 as isize); + let mut kempty: *mut i32 = _empty.as_mut_ptr().offset(2 as isize); + let _lempty: *mut i32 = _empty.as_mut_ptr().offset(3 as isize); + let _gempty: *mut i32 = _empty.as_mut_ptr().offset(4 as isize); let _non0ctri: *mut i32 = *((*opt).non0ctr).offset(i_sh as isize); let _non0ctrj: *mut i32 = *((*opt).non0ctr).offset(j_sh as isize); let mut non0ctrk: *mut i32 = *((*opt).non0ctr).offset(k_sh as isize); @@ -1809,60 +1422,50 @@ pub unsafe extern "C" fn CINT2e_11n1_loop( eklcutoff = expcutoff; let mut rij: *mut f64 = 0 as *mut f64; let mut rkl: *mut f64 = 0 as *mut f64; - let mut idx: *mut i32 = *((*opt).index_xyz_array) - .offset( - ((*envs).i_l * 16 as i32 * 16 as i32 * 16 as i32 - + (*envs).j_l * 16 as i32 * 16 as i32 - + (*envs).k_l * 16 as i32 + (*envs).l_l) as isize, - ); + let mut idx: *mut i32 = *((*opt).index_xyz_array).offset( + ((*envs).i_l * 16 as i32 * 16 as i32 * 16 as i32 + + (*envs).j_l * 16 as i32 * 16 as i32 + + (*envs).k_l * 16 as i32 + + (*envs).l_l) as isize, + ); if idx.is_null() { - idx = ((cache as uintptr_t).wrapping_add(7 as u64) - & (8 as uintptr_t).wrapping_neg()) as *mut libc::c_void - as *mut i32; - cache = idx.offset(nf.wrapping_mul(3 as u64) as isize) - as *mut f64; + idx = ((cache as uintptr_t).wrapping_add(7 as u64) & (8 as uintptr_t).wrapping_neg()) + as *mut libc::c_void as *mut i32; + cache = idx.offset(nf.wrapping_mul(3 as u64) as isize) as *mut f64; CINTg2e_index_xyz(idx, &*envs); } let mut omega: f64 = *env.offset(8 as isize); - if omega < 0 as f64 && (*envs).rys_order > 1 as i32 - { + if omega < 0 as f64 && (*envs).rys_order > 1 as i32 { let mut r_guess: f64 = 8.0f64; let mut omega2: f64 = omega * omega; let mut lij: i32 = (*envs).li_ceil + (*envs).lj_ceil; let mut lkl: i32 = (*envs).lk_ceil + (*envs).ll_ceil; if lij > 0 as i32 { let mut dist_ij: f64 = (rr_ij).sqrt(); - let mut aij: f64 = *ai - .offset((i_prim - 1 as i32) as isize) - + *aj.offset((j_prim - 1 as i32) as isize); + let mut aij: f64 = + *ai.offset((i_prim - 1 as i32) as isize) + *aj.offset((j_prim - 1 as i32) as isize); let mut theta: f64 = omega2 / (omega2 + aij); - expcutoff - += lij as f64 - * ((dist_ij + theta * r_guess + 1.0f64) / (dist_ij + 1.0f64)).ln(); + expcutoff += + lij as f64 * ((dist_ij + theta * r_guess + 1.0f64) / (dist_ij + 1.0f64)).ln(); } if lkl > 0 as i32 { let mut dist_kl: f64 = (rr_kl).sqrt(); - let mut akl: f64 = *ak - .offset((k_prim - 1 as i32) as isize) - + *al.offset((l_prim - 1 as i32) as isize); + let mut akl: f64 = + *ak.offset((k_prim - 1 as i32) as isize) + *al.offset((l_prim - 1 as i32) as isize); let mut theta_0: f64 = omega2 / (omega2 + akl); - expcutoff - += lkl as f64 - * ((dist_kl + theta_0 * r_guess + 1.0f64) / (dist_kl + 1.0f64)).ln(); + expcutoff += + lkl as f64 * ((dist_kl + theta_0 * r_guess + 1.0f64) / (dist_kl + 1.0f64)).ln(); } } let mut nc: i32 = k_ctr; - let mut leng: u64 = ((*envs).g_size * 3 as i32 - * (((1 as i32) << (*envs).gbits) + 1 as i32)) as u64; - let mut lenk: u64 = nf - .wrapping_mul(k_ctr as u64) - .wrapping_mul(n_comp as u64); + let mut leng: u64 = + ((*envs).g_size * 3 as i32 * (((1 as i32) << (*envs).gbits) + 1 as i32)) as u64; + let mut lenk: u64 = nf.wrapping_mul(k_ctr as u64).wrapping_mul(n_comp as u64); let mut len0: u64 = nf.wrapping_mul(n_comp as u64); let mut len: u64 = leng.wrapping_add(lenk).wrapping_add(len0); let mut g: *mut f64 = 0 as *mut f64; - g = ((cache as uintptr_t).wrapping_add(7 as u64) - & (8 as uintptr_t).wrapping_neg()) as *mut libc::c_void - as *mut f64; + g = ((cache as uintptr_t).wrapping_add(7 as u64) & (8 as uintptr_t).wrapping_neg()) + as *mut libc::c_void as *mut f64; cache = g.offset(len as isize); let mut g1: *mut f64 = g.offset(leng as isize); let mut gout: *mut f64 = 0 as *mut f64; @@ -1897,27 +1500,19 @@ pub unsafe extern "C" fn CINT2e_11n1_loop( ip = 0 as i32; while ip < i_prim { if !((*pdata_ij).cceij > eijcutoff) { - (*envs) - .ai[0 as usize] = *ai.offset(ip as isize); + (*envs).ai[0 as usize] = *ai.offset(ip as isize); expij = (*pdata_ij).eij; rij = ((*pdata_ij).rij).as_mut_ptr(); cutoff = eijcutoff - (*pdata_ij).cceij; fac1i = fac1j * *ci.offset(ip as isize) * expij * expkl; (*envs).fac[0 as usize] = fac1i; - if ::core::mem::transmute::< - _, - fn(_, _, _, _, _) -> i32, - >( - (Some( - ((*envs).f_g0_2e).expect("non-null function pointer"), - )) + if ::core::mem::transmute::<_, fn(_, _, _, _, _) -> i32>( + (Some(((*envs).f_g0_2e).expect("non-null function pointer"))) .expect("non-null function pointer"), - )(g, rij, rkl, cutoff, envs) != 0 + )(g, rij, rkl, cutoff, envs) + != 0 { - ::core::mem::transmute::< - _, - fn(_, _, _, _, _), - >( + ::core::mem::transmute::<_, fn(_, _, _, _, _)>( (Some(((*envs).f_gout).expect("non-null function pointer"))) .expect("non-null function pointer"), )(gout, g, idx, envs, *jempty); @@ -1971,20 +1566,10 @@ pub unsafe extern "C" fn CINT2e_11n1_loop( } if n_comp > 1 as i32 && *kempty == 0 { if *empty != 0 { - CINTdmat_transpose( - gctr, - gctrk, - nf.wrapping_mul(nc as u64) as i32, - n_comp, - ); + CINTdmat_transpose(gctr, gctrk, nf.wrapping_mul(nc as u64) as i32, n_comp); *empty = 0 as i32; } else { - CINTdplus_transpose( - gctr, - gctrk, - nf.wrapping_mul(nc as u64) as i32, - n_comp, - ); + CINTdplus_transpose(gctr, gctrk, nf.wrapping_mul(nc as u64) as i32, n_comp); } } return (*empty == 0) as i32; @@ -2008,8 +1593,7 @@ pub unsafe extern "C" fn CINT2e_111n_loop( && (*((*opt).pairdata).offset((i_sh * (*opt).nbas + j_sh) as isize) == 0xffffffffffffffff as u64 as *mut libc::c_void as *mut PairData || *((*opt).pairdata).offset((k_sh * (*opt).nbas + l_sh) as isize) - == 0xffffffffffffffff as u64 as *mut libc::c_void - as *mut PairData) + == 0xffffffffffffffff as u64 as *mut libc::c_void as *mut PairData) { return 0 as i32; } @@ -2017,59 +1601,25 @@ pub unsafe extern "C" fn CINT2e_111n_loop( let _j_ctr: i32 = (*envs).x_ctr[1 as usize]; let _k_ctr: i32 = (*envs).x_ctr[2 as usize]; let mut l_ctr: i32 = (*envs).x_ctr[3 as usize]; - let mut i_prim: i32 = *bas - .offset((8 as i32 * i_sh + 2 as i32) as isize); - let mut j_prim: i32 = *bas - .offset((8 as i32 * j_sh + 2 as i32) as isize); - let mut k_prim: i32 = *bas - .offset((8 as i32 * k_sh + 2 as i32) as isize); - let mut l_prim: i32 = *bas - .offset((8 as i32 * l_sh + 2 as i32) as isize); - let mut ai: *mut f64 = env - .offset( - *bas.offset((8 as i32 * i_sh + 5 as i32) as isize) as isize, - ); - let mut aj: *mut f64 = env - .offset( - *bas.offset((8 as i32 * j_sh + 5 as i32) as isize) as isize, - ); - let mut ak: *mut f64 = env - .offset( - *bas.offset((8 as i32 * k_sh + 5 as i32) as isize) as isize, - ); - let mut al: *mut f64 = env - .offset( - *bas.offset((8 as i32 * l_sh + 5 as i32) as isize) as isize, - ); - let mut ci: *mut f64 = env - .offset( - *bas.offset((8 as i32 * i_sh + 6 as i32) as isize) as isize, - ); - let mut cj: *mut f64 = env - .offset( - *bas.offset((8 as i32 * j_sh + 6 as i32) as isize) as isize, - ); - let mut ck: *mut f64 = env - .offset( - *bas.offset((8 as i32 * k_sh + 6 as i32) as isize) as isize, - ); - let mut cl: *mut f64 = env - .offset( - *bas.offset((8 as i32 * l_sh + 6 as i32) as isize) as isize, - ); + let mut i_prim: i32 = *bas.offset((8 as i32 * i_sh + 2 as i32) as isize); + let mut j_prim: i32 = *bas.offset((8 as i32 * j_sh + 2 as i32) as isize); + let mut k_prim: i32 = *bas.offset((8 as i32 * k_sh + 2 as i32) as isize); + let mut l_prim: i32 = *bas.offset((8 as i32 * l_sh + 2 as i32) as isize); + let mut ai: *mut f64 = env.offset(*bas.offset((8 as i32 * i_sh + 5 as i32) as isize) as isize); + let mut aj: *mut f64 = env.offset(*bas.offset((8 as i32 * j_sh + 5 as i32) as isize) as isize); + let mut ak: *mut f64 = env.offset(*bas.offset((8 as i32 * k_sh + 5 as i32) as isize) as isize); + let mut al: *mut f64 = env.offset(*bas.offset((8 as i32 * l_sh + 5 as i32) as isize) as isize); + let mut ci: *mut f64 = env.offset(*bas.offset((8 as i32 * i_sh + 6 as i32) as isize) as isize); + let mut cj: *mut f64 = env.offset(*bas.offset((8 as i32 * j_sh + 6 as i32) as isize) as isize); + let mut ck: *mut f64 = env.offset(*bas.offset((8 as i32 * k_sh + 6 as i32) as isize) as isize); + let mut cl: *mut f64 = env.offset(*bas.offset((8 as i32 * l_sh + 6 as i32) as isize) as isize); let mut expcutoff: f64 = (*envs).expcutoff; - let mut rr_ij: f64 = (*envs).rirj[0 as usize] - * (*envs).rirj[0 as usize] - + (*envs).rirj[1 as usize] - * (*envs).rirj[1 as usize] - + (*envs).rirj[2 as usize] - * (*envs).rirj[2 as usize]; - let mut rr_kl: f64 = (*envs).rkrl[0 as usize] - * (*envs).rkrl[0 as usize] - + (*envs).rkrl[1 as usize] - * (*envs).rkrl[1 as usize] - + (*envs).rkrl[2 as usize] - * (*envs).rkrl[2 as usize]; + let mut rr_ij: f64 = (*envs).rirj[0 as usize] * (*envs).rirj[0 as usize] + + (*envs).rirj[1 as usize] * (*envs).rirj[1 as usize] + + (*envs).rirj[2 as usize] * (*envs).rirj[2 as usize]; + let mut rr_kl: f64 = (*envs).rkrl[0 as usize] * (*envs).rkrl[0 as usize] + + (*envs).rkrl[1 as usize] * (*envs).rkrl[1 as usize] + + (*envs).rkrl[2 as usize] * (*envs).rkrl[2 as usize]; let mut _pdata_ij: *mut PairData = 0 as *mut PairData; let mut _pdata_kl: *mut PairData = 0 as *mut PairData; let mut pdata_ij: *mut PairData = 0 as *mut PairData; @@ -2078,15 +1628,11 @@ pub unsafe extern "C" fn CINT2e_111n_loop( _pdata_ij = *((*opt).pairdata).offset((i_sh * (*opt).nbas + j_sh) as isize); _pdata_kl = *((*opt).pairdata).offset((k_sh * (*opt).nbas + l_sh) as isize); } else { - let mut log_maxci: *mut f64 = *((*opt).log_max_coeff) - .offset(i_sh as isize); - let mut log_maxcj: *mut f64 = *((*opt).log_max_coeff) - .offset(j_sh as isize); - _pdata_ij = ((cache as uintptr_t).wrapping_add(7 as u64) - & (8 as uintptr_t).wrapping_neg()) as *mut libc::c_void - as *mut PairData; - cache = _pdata_ij.offset((i_prim * j_prim + k_prim * l_prim) as isize) - as *mut f64; + let mut log_maxci: *mut f64 = *((*opt).log_max_coeff).offset(i_sh as isize); + let mut log_maxcj: *mut f64 = *((*opt).log_max_coeff).offset(j_sh as isize); + _pdata_ij = ((cache as uintptr_t).wrapping_add(7 as u64) & (8 as uintptr_t).wrapping_neg()) + as *mut libc::c_void as *mut PairData; + cache = _pdata_ij.offset((i_prim * j_prim + k_prim * l_prim) as isize) as *mut f64; if CINTset_pairdata( _pdata_ij, ai, @@ -2106,10 +1652,8 @@ pub unsafe extern "C" fn CINT2e_111n_loop( { return 0 as i32; } - let mut log_maxck: *mut f64 = *((*opt).log_max_coeff) - .offset(k_sh as isize); - let mut log_maxcl: *mut f64 = *((*opt).log_max_coeff) - .offset(l_sh as isize); + let mut log_maxck: *mut f64 = *((*opt).log_max_coeff).offset(k_sh as isize); + let mut log_maxcl: *mut f64 = *((*opt).log_max_coeff).offset(l_sh as isize); _pdata_kl = _pdata_ij.offset((i_prim * j_prim) as isize); if CINTset_pairdata( _pdata_kl, @@ -2131,8 +1675,7 @@ pub unsafe extern "C" fn CINT2e_111n_loop( return 0 as i32; } } - let mut n_comp: i32 = (*envs).ncomp_e1 * (*envs).ncomp_e2 - * (*envs).ncomp_tensor; + let mut n_comp: i32 = (*envs).ncomp_e1 * (*envs).ncomp_e2 * (*envs).ncomp_tensor; let mut nf: u64 = (*envs).nf as u64; let mut fac1i: f64 = 0.; let mut fac1j: f64 = 0.; @@ -2142,28 +1685,12 @@ pub unsafe extern "C" fn CINT2e_111n_loop( let mut jp: i32 = 0; let mut kp: i32 = 0; let mut lp: i32 = 0; - let mut _empty: [i32; 5] = [ - 1 as i32, - 1 as i32, - 1 as i32, - 1 as i32, - 1 as i32, - ]; - let _iempty: *mut i32 = _empty - .as_mut_ptr() - .offset(0 as isize); - let _jempty: *mut i32 = _empty - .as_mut_ptr() - .offset(1 as isize); - let mut kempty: *mut i32 = _empty - .as_mut_ptr() - .offset(2 as isize); - let mut lempty: *mut i32 = _empty - .as_mut_ptr() - .offset(3 as isize); - let _gempty: *mut i32 = _empty - .as_mut_ptr() - .offset(4 as isize); + let mut _empty: [i32; 5] = [1 as i32, 1 as i32, 1 as i32, 1 as i32, 1 as i32]; + let _iempty: *mut i32 = _empty.as_mut_ptr().offset(0 as isize); + let _jempty: *mut i32 = _empty.as_mut_ptr().offset(1 as isize); + let mut kempty: *mut i32 = _empty.as_mut_ptr().offset(2 as isize); + let mut lempty: *mut i32 = _empty.as_mut_ptr().offset(3 as isize); + let _gempty: *mut i32 = _empty.as_mut_ptr().offset(4 as isize); let _non0ctri: *mut i32 = *((*opt).non0ctr).offset(i_sh as isize); let _non0ctrj: *mut i32 = *((*opt).non0ctr).offset(j_sh as isize); let _non0ctrk: *mut i32 = *((*opt).non0ctr).offset(k_sh as isize); @@ -2180,60 +1707,50 @@ pub unsafe extern "C" fn CINT2e_111n_loop( eklcutoff = expcutoff; let mut rij: *mut f64 = 0 as *mut f64; let mut rkl: *mut f64 = 0 as *mut f64; - let mut idx: *mut i32 = *((*opt).index_xyz_array) - .offset( - ((*envs).i_l * 16 as i32 * 16 as i32 * 16 as i32 - + (*envs).j_l * 16 as i32 * 16 as i32 - + (*envs).k_l * 16 as i32 + (*envs).l_l) as isize, - ); + let mut idx: *mut i32 = *((*opt).index_xyz_array).offset( + ((*envs).i_l * 16 as i32 * 16 as i32 * 16 as i32 + + (*envs).j_l * 16 as i32 * 16 as i32 + + (*envs).k_l * 16 as i32 + + (*envs).l_l) as isize, + ); if idx.is_null() { - idx = ((cache as uintptr_t).wrapping_add(7 as u64) - & (8 as uintptr_t).wrapping_neg()) as *mut libc::c_void - as *mut i32; - cache = idx.offset(nf.wrapping_mul(3 as u64) as isize) - as *mut f64; + idx = ((cache as uintptr_t).wrapping_add(7 as u64) & (8 as uintptr_t).wrapping_neg()) + as *mut libc::c_void as *mut i32; + cache = idx.offset(nf.wrapping_mul(3 as u64) as isize) as *mut f64; CINTg2e_index_xyz(idx, &*envs); } let mut omega: f64 = *env.offset(8 as isize); - if omega < 0 as f64 && (*envs).rys_order > 1 as i32 - { + if omega < 0 as f64 && (*envs).rys_order > 1 as i32 { let mut r_guess: f64 = 8.0f64; let mut omega2: f64 = omega * omega; let mut lij: i32 = (*envs).li_ceil + (*envs).lj_ceil; let mut lkl: i32 = (*envs).lk_ceil + (*envs).ll_ceil; if lij > 0 as i32 { let mut dist_ij: f64 = (rr_ij).sqrt(); - let mut aij: f64 = *ai - .offset((i_prim - 1 as i32) as isize) - + *aj.offset((j_prim - 1 as i32) as isize); + let mut aij: f64 = + *ai.offset((i_prim - 1 as i32) as isize) + *aj.offset((j_prim - 1 as i32) as isize); let mut theta: f64 = omega2 / (omega2 + aij); - expcutoff - += lij as f64 - * ((dist_ij + theta * r_guess + 1.0f64) / (dist_ij + 1.0f64)).ln(); + expcutoff += + lij as f64 * ((dist_ij + theta * r_guess + 1.0f64) / (dist_ij + 1.0f64)).ln(); } if lkl > 0 as i32 { let mut dist_kl: f64 = (rr_kl).sqrt(); - let mut akl: f64 = *ak - .offset((k_prim - 1 as i32) as isize) - + *al.offset((l_prim - 1 as i32) as isize); + let mut akl: f64 = + *ak.offset((k_prim - 1 as i32) as isize) + *al.offset((l_prim - 1 as i32) as isize); let mut theta_0: f64 = omega2 / (omega2 + akl); - expcutoff - += lkl as f64 - * ((dist_kl + theta_0 * r_guess + 1.0f64) / (dist_kl + 1.0f64)).ln(); + expcutoff += + lkl as f64 * ((dist_kl + theta_0 * r_guess + 1.0f64) / (dist_kl + 1.0f64)).ln(); } } let mut nc: i32 = l_ctr; - let mut leng: u64 = ((*envs).g_size * 3 as i32 - * (((1 as i32) << (*envs).gbits) + 1 as i32)) as u64; - let mut lenl: u64 = nf - .wrapping_mul(l_ctr as u64) - .wrapping_mul(n_comp as u64); + let mut leng: u64 = + ((*envs).g_size * 3 as i32 * (((1 as i32) << (*envs).gbits) + 1 as i32)) as u64; + let mut lenl: u64 = nf.wrapping_mul(l_ctr as u64).wrapping_mul(n_comp as u64); let mut len0: u64 = nf.wrapping_mul(n_comp as u64); let mut len: u64 = leng.wrapping_add(lenl).wrapping_add(len0); let mut g: *mut f64 = 0 as *mut f64; - g = ((cache as uintptr_t).wrapping_add(7 as u64) - & (8 as uintptr_t).wrapping_neg()) as *mut libc::c_void - as *mut f64; + g = ((cache as uintptr_t).wrapping_add(7 as u64) & (8 as uintptr_t).wrapping_neg()) + as *mut libc::c_void as *mut f64; cache = g.offset(len as isize); let mut g1: *mut f64 = g.offset(leng as isize); let mut gout: *mut f64 = 0 as *mut f64; @@ -2268,27 +1785,19 @@ pub unsafe extern "C" fn CINT2e_111n_loop( ip = 0 as i32; while ip < i_prim { if !((*pdata_ij).cceij > eijcutoff) { - (*envs) - .ai[0 as usize] = *ai.offset(ip as isize); + (*envs).ai[0 as usize] = *ai.offset(ip as isize); expij = (*pdata_ij).eij; rij = ((*pdata_ij).rij).as_mut_ptr(); cutoff = eijcutoff - (*pdata_ij).cceij; fac1i = fac1j * *ci.offset(ip as isize) * expij * expkl; (*envs).fac[0 as usize] = fac1i; - if ::core::mem::transmute::< - _, - fn(_, _, _, _, _) -> i32, - >( - (Some( - ((*envs).f_g0_2e).expect("non-null function pointer"), - )) + if ::core::mem::transmute::<_, fn(_, _, _, _, _) -> i32>( + (Some(((*envs).f_g0_2e).expect("non-null function pointer"))) .expect("non-null function pointer"), - )(g, rij, rkl, cutoff, envs) != 0 + )(g, rij, rkl, cutoff, envs) + != 0 { - ::core::mem::transmute::< - _, - fn(_, _, _, _, _), - >( + ::core::mem::transmute::<_, fn(_, _, _, _, _)>( (Some(((*envs).f_gout).expect("non-null function pointer"))) .expect("non-null function pointer"), )(gout, g, idx, envs, *kempty); @@ -2342,20 +1851,10 @@ pub unsafe extern "C" fn CINT2e_111n_loop( } if n_comp > 1 as i32 && *lempty == 0 { if *empty != 0 { - CINTdmat_transpose( - gctr, - gctrl, - nf.wrapping_mul(nc as u64) as i32, - n_comp, - ); + CINTdmat_transpose(gctr, gctrl, nf.wrapping_mul(nc as u64) as i32, n_comp); *empty = 0 as i32; } else { - CINTdplus_transpose( - gctr, - gctrl, - nf.wrapping_mul(nc as u64) as i32, - n_comp, - ); + CINTdplus_transpose(gctr, gctrl, nf.wrapping_mul(nc as u64) as i32, n_comp); } } return (*empty == 0) as i32; @@ -2379,8 +1878,7 @@ pub unsafe extern "C" fn CINT2e_loop( && (*((*opt).pairdata).offset((i_sh * (*opt).nbas + j_sh) as isize) == 0xffffffffffffffff as u64 as *mut libc::c_void as *mut PairData || *((*opt).pairdata).offset((k_sh * (*opt).nbas + l_sh) as isize) - == 0xffffffffffffffff as u64 as *mut libc::c_void - as *mut PairData) + == 0xffffffffffffffff as u64 as *mut libc::c_void as *mut PairData) { return 0 as i32; } @@ -2388,59 +1886,25 @@ pub unsafe extern "C" fn CINT2e_loop( let mut j_ctr: i32 = (*envs).x_ctr[1 as usize]; let mut k_ctr: i32 = (*envs).x_ctr[2 as usize]; let mut l_ctr: i32 = (*envs).x_ctr[3 as usize]; - let mut i_prim: i32 = *bas - .offset((8 as i32 * i_sh + 2 as i32) as isize); - let mut j_prim: i32 = *bas - .offset((8 as i32 * j_sh + 2 as i32) as isize); - let mut k_prim: i32 = *bas - .offset((8 as i32 * k_sh + 2 as i32) as isize); - let mut l_prim: i32 = *bas - .offset((8 as i32 * l_sh + 2 as i32) as isize); - let mut ai: *mut f64 = env - .offset( - *bas.offset((8 as i32 * i_sh + 5 as i32) as isize) as isize, - ); - let mut aj: *mut f64 = env - .offset( - *bas.offset((8 as i32 * j_sh + 5 as i32) as isize) as isize, - ); - let mut ak: *mut f64 = env - .offset( - *bas.offset((8 as i32 * k_sh + 5 as i32) as isize) as isize, - ); - let mut al: *mut f64 = env - .offset( - *bas.offset((8 as i32 * l_sh + 5 as i32) as isize) as isize, - ); - let mut ci: *mut f64 = env - .offset( - *bas.offset((8 as i32 * i_sh + 6 as i32) as isize) as isize, - ); - let mut cj: *mut f64 = env - .offset( - *bas.offset((8 as i32 * j_sh + 6 as i32) as isize) as isize, - ); - let mut ck: *mut f64 = env - .offset( - *bas.offset((8 as i32 * k_sh + 6 as i32) as isize) as isize, - ); - let mut cl: *mut f64 = env - .offset( - *bas.offset((8 as i32 * l_sh + 6 as i32) as isize) as isize, - ); + let mut i_prim: i32 = *bas.offset((8 as i32 * i_sh + 2 as i32) as isize); + let mut j_prim: i32 = *bas.offset((8 as i32 * j_sh + 2 as i32) as isize); + let mut k_prim: i32 = *bas.offset((8 as i32 * k_sh + 2 as i32) as isize); + let mut l_prim: i32 = *bas.offset((8 as i32 * l_sh + 2 as i32) as isize); + let mut ai: *mut f64 = env.offset(*bas.offset((8 as i32 * i_sh + 5 as i32) as isize) as isize); + let mut aj: *mut f64 = env.offset(*bas.offset((8 as i32 * j_sh + 5 as i32) as isize) as isize); + let mut ak: *mut f64 = env.offset(*bas.offset((8 as i32 * k_sh + 5 as i32) as isize) as isize); + let mut al: *mut f64 = env.offset(*bas.offset((8 as i32 * l_sh + 5 as i32) as isize) as isize); + let mut ci: *mut f64 = env.offset(*bas.offset((8 as i32 * i_sh + 6 as i32) as isize) as isize); + let mut cj: *mut f64 = env.offset(*bas.offset((8 as i32 * j_sh + 6 as i32) as isize) as isize); + let mut ck: *mut f64 = env.offset(*bas.offset((8 as i32 * k_sh + 6 as i32) as isize) as isize); + let mut cl: *mut f64 = env.offset(*bas.offset((8 as i32 * l_sh + 6 as i32) as isize) as isize); let mut expcutoff: f64 = (*envs).expcutoff; - let mut rr_ij: f64 = (*envs).rirj[0 as usize] - * (*envs).rirj[0 as usize] - + (*envs).rirj[1 as usize] - * (*envs).rirj[1 as usize] - + (*envs).rirj[2 as usize] - * (*envs).rirj[2 as usize]; - let mut rr_kl: f64 = (*envs).rkrl[0 as usize] - * (*envs).rkrl[0 as usize] - + (*envs).rkrl[1 as usize] - * (*envs).rkrl[1 as usize] - + (*envs).rkrl[2 as usize] - * (*envs).rkrl[2 as usize]; + let mut rr_ij: f64 = (*envs).rirj[0 as usize] * (*envs).rirj[0 as usize] + + (*envs).rirj[1 as usize] * (*envs).rirj[1 as usize] + + (*envs).rirj[2 as usize] * (*envs).rirj[2 as usize]; + let mut rr_kl: f64 = (*envs).rkrl[0 as usize] * (*envs).rkrl[0 as usize] + + (*envs).rkrl[1 as usize] * (*envs).rkrl[1 as usize] + + (*envs).rkrl[2 as usize] * (*envs).rkrl[2 as usize]; let mut _pdata_ij: *mut PairData = 0 as *mut PairData; let mut _pdata_kl: *mut PairData = 0 as *mut PairData; let mut pdata_ij: *mut PairData = 0 as *mut PairData; @@ -2449,15 +1913,11 @@ pub unsafe extern "C" fn CINT2e_loop( _pdata_ij = *((*opt).pairdata).offset((i_sh * (*opt).nbas + j_sh) as isize); _pdata_kl = *((*opt).pairdata).offset((k_sh * (*opt).nbas + l_sh) as isize); } else { - let mut log_maxci: *mut f64 = *((*opt).log_max_coeff) - .offset(i_sh as isize); - let mut log_maxcj: *mut f64 = *((*opt).log_max_coeff) - .offset(j_sh as isize); - _pdata_ij = ((cache as uintptr_t).wrapping_add(7 as u64) - & (8 as uintptr_t).wrapping_neg()) as *mut libc::c_void - as *mut PairData; - cache = _pdata_ij.offset((i_prim * j_prim + k_prim * l_prim) as isize) - as *mut f64; + let mut log_maxci: *mut f64 = *((*opt).log_max_coeff).offset(i_sh as isize); + let mut log_maxcj: *mut f64 = *((*opt).log_max_coeff).offset(j_sh as isize); + _pdata_ij = ((cache as uintptr_t).wrapping_add(7 as u64) & (8 as uintptr_t).wrapping_neg()) + as *mut libc::c_void as *mut PairData; + cache = _pdata_ij.offset((i_prim * j_prim + k_prim * l_prim) as isize) as *mut f64; if CINTset_pairdata( _pdata_ij, ai, @@ -2477,10 +1937,8 @@ pub unsafe extern "C" fn CINT2e_loop( { return 0 as i32; } - let mut log_maxck: *mut f64 = *((*opt).log_max_coeff) - .offset(k_sh as isize); - let mut log_maxcl: *mut f64 = *((*opt).log_max_coeff) - .offset(l_sh as isize); + let mut log_maxck: *mut f64 = *((*opt).log_max_coeff).offset(k_sh as isize); + let mut log_maxcl: *mut f64 = *((*opt).log_max_coeff).offset(l_sh as isize); _pdata_kl = _pdata_ij.offset((i_prim * j_prim) as isize); if CINTset_pairdata( _pdata_kl, @@ -2502,8 +1960,7 @@ pub unsafe extern "C" fn CINT2e_loop( return 0 as i32; } } - let mut n_comp: i32 = (*envs).ncomp_e1 * (*envs).ncomp_e2 - * (*envs).ncomp_tensor; + let mut n_comp: i32 = (*envs).ncomp_e1 * (*envs).ncomp_e2 * (*envs).ncomp_tensor; let mut nf: u64 = (*envs).nf as u64; let mut fac1i: f64 = 0.; let mut fac1j: f64 = 0.; @@ -2513,28 +1970,12 @@ pub unsafe extern "C" fn CINT2e_loop( let mut jp: i32 = 0; let mut kp: i32 = 0; let mut lp: i32 = 0; - let mut _empty: [i32; 5] = [ - 1 as i32, - 1 as i32, - 1 as i32, - 1 as i32, - 1 as i32, - ]; - let mut iempty: *mut i32 = _empty - .as_mut_ptr() - .offset(0 as isize); - let mut jempty: *mut i32 = _empty - .as_mut_ptr() - .offset(1 as isize); - let mut kempty: *mut i32 = _empty - .as_mut_ptr() - .offset(2 as isize); - let mut lempty: *mut i32 = _empty - .as_mut_ptr() - .offset(3 as isize); - let mut gempty: *mut i32 = _empty - .as_mut_ptr() - .offset(4 as isize); + let mut _empty: [i32; 5] = [1 as i32, 1 as i32, 1 as i32, 1 as i32, 1 as i32]; + let mut iempty: *mut i32 = _empty.as_mut_ptr().offset(0 as isize); + let mut jempty: *mut i32 = _empty.as_mut_ptr().offset(1 as isize); + let mut kempty: *mut i32 = _empty.as_mut_ptr().offset(2 as isize); + let mut lempty: *mut i32 = _empty.as_mut_ptr().offset(3 as isize); + let mut gempty: *mut i32 = _empty.as_mut_ptr().offset(4 as isize); let mut non0ctri: *mut i32 = *((*opt).non0ctr).offset(i_sh as isize); let mut non0ctrj: *mut i32 = *((*opt).non0ctr).offset(j_sh as isize); let mut non0ctrk: *mut i32 = *((*opt).non0ctr).offset(k_sh as isize); @@ -2551,54 +1992,45 @@ pub unsafe extern "C" fn CINT2e_loop( eklcutoff = expcutoff; let mut rij: *mut f64 = 0 as *mut f64; let mut rkl: *mut f64 = 0 as *mut f64; - let mut idx: *mut i32 = *((*opt).index_xyz_array) - .offset( - ((*envs).i_l * 16 as i32 * 16 as i32 * 16 as i32 - + (*envs).j_l * 16 as i32 * 16 as i32 - + (*envs).k_l * 16 as i32 + (*envs).l_l) as isize, - ); + let mut idx: *mut i32 = *((*opt).index_xyz_array).offset( + ((*envs).i_l * 16 as i32 * 16 as i32 * 16 as i32 + + (*envs).j_l * 16 as i32 * 16 as i32 + + (*envs).k_l * 16 as i32 + + (*envs).l_l) as isize, + ); if idx.is_null() { - idx = ((cache as uintptr_t).wrapping_add(7 as u64) - & (8 as uintptr_t).wrapping_neg()) as *mut libc::c_void - as *mut i32; - cache = idx.offset(nf.wrapping_mul(3 as u64) as isize) - as *mut f64; + idx = ((cache as uintptr_t).wrapping_add(7 as u64) & (8 as uintptr_t).wrapping_neg()) + as *mut libc::c_void as *mut i32; + cache = idx.offset(nf.wrapping_mul(3 as u64) as isize) as *mut f64; CINTg2e_index_xyz(idx, &*envs); } let mut omega: f64 = *env.offset(8 as isize); - if omega < 0 as f64 && (*envs).rys_order > 1 as i32 - { + if omega < 0 as f64 && (*envs).rys_order > 1 as i32 { let mut r_guess: f64 = 8.0f64; let mut omega2: f64 = omega * omega; let mut lij: i32 = (*envs).li_ceil + (*envs).lj_ceil; let mut lkl: i32 = (*envs).lk_ceil + (*envs).ll_ceil; if lij > 0 as i32 { let mut dist_ij: f64 = (rr_ij).sqrt(); - let mut aij: f64 = *ai - .offset((i_prim - 1 as i32) as isize) - + *aj.offset((j_prim - 1 as i32) as isize); + let mut aij: f64 = + *ai.offset((i_prim - 1 as i32) as isize) + *aj.offset((j_prim - 1 as i32) as isize); let mut theta: f64 = omega2 / (omega2 + aij); - expcutoff - += lij as f64 - * ((dist_ij + theta * r_guess + 1.0f64) / (dist_ij + 1.0f64)).ln(); + expcutoff += + lij as f64 * ((dist_ij + theta * r_guess + 1.0f64) / (dist_ij + 1.0f64)).ln(); } if lkl > 0 as i32 { let mut dist_kl: f64 = (rr_kl).sqrt(); - let mut akl: f64 = *ak - .offset((k_prim - 1 as i32) as isize) - + *al.offset((l_prim - 1 as i32) as isize); + let mut akl: f64 = + *ak.offset((k_prim - 1 as i32) as isize) + *al.offset((l_prim - 1 as i32) as isize); let mut theta_0: f64 = omega2 / (omega2 + akl); - expcutoff - += lkl as f64 - * ((dist_kl + theta_0 * r_guess + 1.0f64) / (dist_kl + 1.0f64)).ln(); + expcutoff += + lkl as f64 * ((dist_kl + theta_0 * r_guess + 1.0f64) / (dist_kl + 1.0f64)).ln(); } } let mut nc: i32 = i_ctr * j_ctr * k_ctr * l_ctr; - let mut leng: u64 = ((*envs).g_size * 3 as i32 - * (((1 as i32) << (*envs).gbits) + 1 as i32)) as u64; - let mut lenl: u64 = nf - .wrapping_mul(nc as u64) - .wrapping_mul(n_comp as u64); + let mut leng: u64 = + ((*envs).g_size * 3 as i32 * (((1 as i32) << (*envs).gbits) + 1 as i32)) as u64; + let mut lenl: u64 = nf.wrapping_mul(nc as u64).wrapping_mul(n_comp as u64); let mut lenk: u64 = nf .wrapping_mul(i_ctr as u64) .wrapping_mul(j_ctr as u64) @@ -2608,9 +2040,7 @@ pub unsafe extern "C" fn CINT2e_loop( .wrapping_mul(i_ctr as u64) .wrapping_mul(j_ctr as u64) .wrapping_mul(n_comp as u64); - let mut leni: u64 = nf - .wrapping_mul(i_ctr as u64) - .wrapping_mul(n_comp as u64); + let mut leni: u64 = nf.wrapping_mul(i_ctr as u64).wrapping_mul(n_comp as u64); let mut len0: u64 = nf.wrapping_mul(n_comp as u64); let mut len: u64 = leng .wrapping_add(lenl) @@ -2619,9 +2049,8 @@ pub unsafe extern "C" fn CINT2e_loop( .wrapping_add(leni) .wrapping_add(len0); let mut g: *mut f64 = 0 as *mut f64; - g = ((cache as uintptr_t).wrapping_add(7 as u64) - & (8 as uintptr_t).wrapping_neg()) as *mut libc::c_void - as *mut f64; + g = ((cache as uintptr_t).wrapping_add(7 as u64) & (8 as uintptr_t).wrapping_neg()) + as *mut libc::c_void as *mut f64; cache = g.offset(len as isize); let mut g1: *mut f64 = g.offset(leng as isize); let mut gout: *mut f64 = 0 as *mut f64; @@ -2700,8 +2129,7 @@ pub unsafe extern "C" fn CINT2e_loop( ip = 0 as i32; while ip < i_prim { if !((*pdata_ij).cceij > eijcutoff) { - (*envs) - .ai[0 as usize] = *ai.offset(ip as isize); + (*envs).ai[0 as usize] = *ai.offset(ip as isize); expij = (*pdata_ij).eij; rij = ((*pdata_ij).rij).as_mut_ptr(); cutoff = eijcutoff - (*pdata_ij).cceij; @@ -2711,20 +2139,13 @@ pub unsafe extern "C" fn CINT2e_loop( fac1i = fac1j * expij * expkl; } (*envs).fac[0 as usize] = fac1i; - if ::core::mem::transmute::< - _, - fn(_, _, _, _, _) -> i32, - >( - (Some( - ((*envs).f_g0_2e).expect("non-null function pointer"), - )) + if ::core::mem::transmute::<_, fn(_, _, _, _, _) -> i32>( + (Some(((*envs).f_g0_2e).expect("non-null function pointer"))) .expect("non-null function pointer"), - )(g, rij, rkl, cutoff, envs) != 0 + )(g, rij, rkl, cutoff, envs) + != 0 { - ::core::mem::transmute::< - _, - fn(_, _, _, _, _), - >( + ::core::mem::transmute::<_, fn(_, _, _, _, _)>( (Some(((*envs).f_gout).expect("non-null function pointer"))) .expect("non-null function pointer"), )(gout, g, idx, envs, *gempty); @@ -2859,176 +2280,81 @@ pub unsafe extern "C" fn CINT2e_loop( } if n_comp > 1 as i32 && *lempty == 0 { if *empty != 0 { - CINTdmat_transpose( - gctr, - gctrl, - nf.wrapping_mul(nc as u64) as i32, - n_comp, - ); + CINTdmat_transpose(gctr, gctrl, nf.wrapping_mul(nc as u64) as i32, n_comp); *empty = 0 as i32; } else { - CINTdplus_transpose( - gctr, - gctrl, - nf.wrapping_mul(nc as u64) as i32, - n_comp, - ); + CINTdplus_transpose(gctr, gctrl, nf.wrapping_mul(nc as u64) as i32, n_comp); } } return (*empty == 0) as i32; } -static mut CINTf_2e_loop: [Option::< - unsafe extern "C" fn( - *mut f64, - *mut CINTEnvVars, - *mut f64, - *mut i32, - ) -> i32, +static mut CINTf_2e_loop: [Option< + unsafe extern "C" fn(*mut f64, *mut CINTEnvVars, *mut f64, *mut i32) -> i32, >; 16] = unsafe { [ Some( CINT2e_loop - as unsafe extern "C" fn( - *mut f64, - *mut CINTEnvVars, - *mut f64, - *mut i32, - ) -> i32, + as unsafe extern "C" fn(*mut f64, *mut CINTEnvVars, *mut f64, *mut i32) -> i32, ), Some( CINT2e_loop - as unsafe extern "C" fn( - *mut f64, - *mut CINTEnvVars, - *mut f64, - *mut i32, - ) -> i32, + as unsafe extern "C" fn(*mut f64, *mut CINTEnvVars, *mut f64, *mut i32) -> i32, ), Some( CINT2e_loop - as unsafe extern "C" fn( - *mut f64, - *mut CINTEnvVars, - *mut f64, - *mut i32, - ) -> i32, + as unsafe extern "C" fn(*mut f64, *mut CINTEnvVars, *mut f64, *mut i32) -> i32, ), Some( CINT2e_loop - as unsafe extern "C" fn( - *mut f64, - *mut CINTEnvVars, - *mut f64, - *mut i32, - ) -> i32, + as unsafe extern "C" fn(*mut f64, *mut CINTEnvVars, *mut f64, *mut i32) -> i32, ), Some( CINT2e_loop - as unsafe extern "C" fn( - *mut f64, - *mut CINTEnvVars, - *mut f64, - *mut i32, - ) -> i32, + as unsafe extern "C" fn(*mut f64, *mut CINTEnvVars, *mut f64, *mut i32) -> i32, ), Some( CINT2e_loop - as unsafe extern "C" fn( - *mut f64, - *mut CINTEnvVars, - *mut f64, - *mut i32, - ) -> i32, + as unsafe extern "C" fn(*mut f64, *mut CINTEnvVars, *mut f64, *mut i32) -> i32, ), Some( CINT2e_loop - as unsafe extern "C" fn( - *mut f64, - *mut CINTEnvVars, - *mut f64, - *mut i32, - ) -> i32, + as unsafe extern "C" fn(*mut f64, *mut CINTEnvVars, *mut f64, *mut i32) -> i32, ), Some( CINT2e_n111_loop - as unsafe extern "C" fn( - *mut f64, - *mut CINTEnvVars, - *mut f64, - *mut i32, - ) -> i32, + as unsafe extern "C" fn(*mut f64, *mut CINTEnvVars, *mut f64, *mut i32) -> i32, ), Some( CINT2e_loop - as unsafe extern "C" fn( - *mut f64, - *mut CINTEnvVars, - *mut f64, - *mut i32, - ) -> i32, + as unsafe extern "C" fn(*mut f64, *mut CINTEnvVars, *mut f64, *mut i32) -> i32, ), Some( CINT2e_loop - as unsafe extern "C" fn( - *mut f64, - *mut CINTEnvVars, - *mut f64, - *mut i32, - ) -> i32, + as unsafe extern "C" fn(*mut f64, *mut CINTEnvVars, *mut f64, *mut i32) -> i32, ), Some( CINT2e_loop - as unsafe extern "C" fn( - *mut f64, - *mut CINTEnvVars, - *mut f64, - *mut i32, - ) -> i32, + as unsafe extern "C" fn(*mut f64, *mut CINTEnvVars, *mut f64, *mut i32) -> i32, ), Some( CINT2e_1n11_loop - as unsafe extern "C" fn( - *mut f64, - *mut CINTEnvVars, - *mut f64, - *mut i32, - ) -> i32, + as unsafe extern "C" fn(*mut f64, *mut CINTEnvVars, *mut f64, *mut i32) -> i32, ), Some( CINT2e_loop - as unsafe extern "C" fn( - *mut f64, - *mut CINTEnvVars, - *mut f64, - *mut i32, - ) -> i32, + as unsafe extern "C" fn(*mut f64, *mut CINTEnvVars, *mut f64, *mut i32) -> i32, ), Some( CINT2e_11n1_loop - as unsafe extern "C" fn( - *mut f64, - *mut CINTEnvVars, - *mut f64, - *mut i32, - ) -> i32, + as unsafe extern "C" fn(*mut f64, *mut CINTEnvVars, *mut f64, *mut i32) -> i32, ), Some( CINT2e_111n_loop - as unsafe extern "C" fn( - *mut f64, - *mut CINTEnvVars, - *mut f64, - *mut i32, - ) -> i32, + as unsafe extern "C" fn(*mut f64, *mut CINTEnvVars, *mut f64, *mut i32) -> i32, ), Some( CINT2e_1111_loop - as unsafe extern "C" fn( - *mut f64, - *mut CINTEnvVars, - *mut f64, - *mut i32, - ) -> i32, + as unsafe extern "C" fn(*mut f64, *mut CINTEnvVars, *mut f64, *mut i32) -> i32, ), ] }; @@ -3039,7 +2365,7 @@ pub unsafe extern "C" fn CINT2e_drv( mut envs: *mut CINTEnvVars, mut opt: *mut CINTOpt, mut cache: *mut f64, - mut f_c2s: Option:: ()>, + mut f_c2s: Option ()>, ) -> i32 { let mut x_ctr: *mut i32 = ((*envs).x_ctr).as_mut_ptr(); let mut nf: u64 = (*envs).nf as u64; @@ -3048,67 +2374,48 @@ pub unsafe extern "C" fn CINT2e_drv( .wrapping_mul(*x_ctr.offset(1 as isize) as u64) .wrapping_mul(*x_ctr.offset(2 as isize) as u64) .wrapping_mul(*x_ctr.offset(3 as isize) as u64); - let mut n_comp: i32 = (*envs).ncomp_e1 * (*envs).ncomp_e2 - * (*envs).ncomp_tensor; + let mut n_comp: i32 = (*envs).ncomp_e1 * (*envs).ncomp_e2 * (*envs).ncomp_tensor; if out.is_null() { let mut bas: *mut i32 = (*envs).bas; let mut shls: *mut i32 = (*envs).shls; - let mut i_prim: i32 = *bas - .offset( - (8 as i32 * *shls.offset(0 as isize) - + 2 as i32) as isize, - ); - let mut j_prim: i32 = *bas - .offset( - (8 as i32 * *shls.offset(1 as isize) - + 2 as i32) as isize, - ); - let mut k_prim: i32 = *bas - .offset( - (8 as i32 * *shls.offset(2 as isize) - + 2 as i32) as isize, - ); - let mut l_prim: i32 = *bas - .offset( - (8 as i32 * *shls.offset(3 as isize) - + 2 as i32) as isize, - ); - let mut pdata_size: u64 = (((i_prim * j_prim + k_prim * l_prim) - * 5 as i32 + i_prim * *x_ctr.offset(0 as isize) + let mut i_prim: i32 = + *bas.offset((8 as i32 * *shls.offset(0 as isize) + 2 as i32) as isize); + let mut j_prim: i32 = + *bas.offset((8 as i32 * *shls.offset(1 as isize) + 2 as i32) as isize); + let mut k_prim: i32 = + *bas.offset((8 as i32 * *shls.offset(2 as isize) + 2 as i32) as isize); + let mut l_prim: i32 = + *bas.offset((8 as i32 * *shls.offset(3 as isize) + 2 as i32) as isize); + let mut pdata_size: u64 = (((i_prim * j_prim + k_prim * l_prim) * 5 as i32 + + i_prim * *x_ctr.offset(0 as isize) + j_prim * *x_ctr.offset(1 as isize) + k_prim * *x_ctr.offset(2 as isize) + l_prim * *x_ctr.offset(3 as isize) - + (i_prim + j_prim + k_prim + l_prim) * 2 as i32) as u64) + + (i_prim + j_prim + k_prim + l_prim) * 2 as i32) + as u64) .wrapping_add(nf.wrapping_mul(3 as u64)); - let mut leng: u64 = ((*envs).g_size * 3 as i32 - * (((1 as i32) << (*envs).gbits) + 1 as i32)) as u64; + let mut leng: u64 = + ((*envs).g_size * 3 as i32 * (((1 as i32) << (*envs).gbits) + 1 as i32)) as u64; let mut len0: u64 = nf.wrapping_mul(n_comp as u64); let mut cache_size: u64 = if leng .wrapping_add(len0) - .wrapping_add( - nc - .wrapping_mul(n_comp as u64) - .wrapping_mul(3 as u64), - ) + .wrapping_add(nc.wrapping_mul(n_comp as u64).wrapping_mul(3 as u64)) .wrapping_add(pdata_size) - > nc - .wrapping_mul(n_comp as u64) + > nc.wrapping_mul(n_comp as u64) .wrapping_add(nf.wrapping_mul(4 as u64)) { leng.wrapping_add(len0) - .wrapping_add( - nc - .wrapping_mul(n_comp as u64) - .wrapping_mul(3 as u64), - ) + .wrapping_add(nc.wrapping_mul(n_comp as u64).wrapping_mul(3 as u64)) .wrapping_add(pdata_size) } else { nc.wrapping_mul(n_comp as u64) .wrapping_add(nf.wrapping_mul(4 as u64)) }; if cache_size >= 2147483647 as u64 { - eprintln!("CINT2e_drv cache_size overflow: cache_size {} > {}, nf {}, nc {}, n_comp {}", - cache_size, 2147483647 as i32, nf, nc, n_comp); + eprintln!( + "CINT2e_drv cache_size overflow: cache_size {} > {}, nf {}, nc {}, n_comp {}", + cache_size, 2147483647 as i32, nf, nc, n_comp + ); cache_size = 0 as u64; } return cache_size as i32; @@ -3117,93 +2424,66 @@ pub unsafe extern "C" fn CINT2e_drv( if cache.is_null() { let mut bas_0: *mut i32 = (*envs).bas; let mut shls_0: *mut i32 = (*envs).shls; - let mut i_prim_0: i32 = *bas_0 - .offset( - (8 as i32 * *shls_0.offset(0 as isize) - + 2 as i32) as isize, - ); - let mut j_prim_0: i32 = *bas_0 - .offset( - (8 as i32 * *shls_0.offset(1 as isize) - + 2 as i32) as isize, - ); - let mut k_prim_0: i32 = *bas_0 - .offset( - (8 as i32 * *shls_0.offset(2 as isize) - + 2 as i32) as isize, - ); - let mut l_prim_0: i32 = *bas_0 - .offset( - (8 as i32 * *shls_0.offset(3 as isize) - + 2 as i32) as isize, - ); - let mut pdata_size_0: u64 = (((i_prim_0 * j_prim_0 + k_prim_0 * l_prim_0) - * 5 as i32 + i_prim_0 * *x_ctr.offset(0 as isize) + let mut i_prim_0: i32 = + *bas_0.offset((8 as i32 * *shls_0.offset(0 as isize) + 2 as i32) as isize); + let mut j_prim_0: i32 = + *bas_0.offset((8 as i32 * *shls_0.offset(1 as isize) + 2 as i32) as isize); + let mut k_prim_0: i32 = + *bas_0.offset((8 as i32 * *shls_0.offset(2 as isize) + 2 as i32) as isize); + let mut l_prim_0: i32 = + *bas_0.offset((8 as i32 * *shls_0.offset(3 as isize) + 2 as i32) as isize); + let mut pdata_size_0: u64 = (((i_prim_0 * j_prim_0 + k_prim_0 * l_prim_0) * 5 as i32 + + i_prim_0 * *x_ctr.offset(0 as isize) + j_prim_0 * *x_ctr.offset(1 as isize) + k_prim_0 * *x_ctr.offset(2 as isize) + l_prim_0 * *x_ctr.offset(3 as isize) + (i_prim_0 + j_prim_0 + k_prim_0 + l_prim_0) * 2 as i32) as u64) .wrapping_add(nf.wrapping_mul(3 as u64)); - let mut leng_0: u64 = ((*envs).g_size * 3 as i32 - * (((1 as i32) << (*envs).gbits) + 1 as i32)) as u64; + let mut leng_0: u64 = + ((*envs).g_size * 3 as i32 * (((1 as i32) << (*envs).gbits) + 1 as i32)) as u64; let mut len0_0: u64 = nf.wrapping_mul(n_comp as u64); let mut cache_size_0: u64 = if leng_0 .wrapping_add(len0_0) - .wrapping_add( - nc - .wrapping_mul(n_comp as u64) - .wrapping_mul(3 as u64), - ) + .wrapping_add(nc.wrapping_mul(n_comp as u64).wrapping_mul(3 as u64)) .wrapping_add(pdata_size_0) - > nc - .wrapping_mul(n_comp as u64) + > nc.wrapping_mul(n_comp as u64) .wrapping_add(nf.wrapping_mul(4 as u64)) { leng_0 .wrapping_add(len0_0) - .wrapping_add( - nc - .wrapping_mul(n_comp as u64) - .wrapping_mul(3 as u64), - ) + .wrapping_add(nc.wrapping_mul(n_comp as u64).wrapping_mul(3 as u64)) .wrapping_add(pdata_size_0) } else { nc.wrapping_mul(n_comp as u64) .wrapping_add(nf.wrapping_mul(4 as u64)) }; - stack = malloc( - (::core::mem::size_of::() as u64) - .wrapping_mul(cache_size_0), - ) as *mut f64; + stack = + malloc((::core::mem::size_of::() as u64).wrapping_mul(cache_size_0)) as *mut f64; cache = stack; } let mut gctr: *mut f64 = 0 as *mut f64; - gctr = ((cache as uintptr_t).wrapping_add(7 as u64) - & (8 as uintptr_t).wrapping_neg()) as *mut libc::c_void - as *mut f64; + gctr = ((cache as uintptr_t).wrapping_add(7 as u64) & (8 as uintptr_t).wrapping_neg()) + as *mut libc::c_void as *mut f64; cache = gctr.offset(nc.wrapping_mul(n_comp as u64) as isize); let mut n: i32 = 0; let mut empty: i32 = 1 as i32; if !opt.is_null() { (*envs).opt = opt; - n = (((*x_ctr.offset(0 as isize) == 1 as i32) - as i32) << 3 as i32) - + (((*x_ctr.offset(1 as isize) == 1 as i32) - as i32) << 2 as i32) - + (((*x_ctr.offset(2 as isize) == 1 as i32) - as i32) << 1 as i32) - + (*x_ctr.offset(3 as isize) == 1 as i32) - as i32; - (CINTf_2e_loop[n as usize]) - .expect("non-null function pointer")(gctr, envs, cache, &mut empty); + n = (((*x_ctr.offset(0 as isize) == 1 as i32) as i32) << 3 as i32) + + (((*x_ctr.offset(1 as isize) == 1 as i32) as i32) << 2 as i32) + + (((*x_ctr.offset(2 as isize) == 1 as i32) as i32) << 1 as i32) + + (*x_ctr.offset(3 as isize) == 1 as i32) as i32; + (CINTf_2e_loop[n as usize]).expect("non-null function pointer")( + gctr, envs, cache, &mut empty, + ); } else { CINT2e_loop_nopt(gctr, envs, cache, &mut empty); } let mut counts: [i32; 4] = [0; 4]; if f_c2s == ::core::mem::transmute::< - Option::< + Option< unsafe extern "C" fn( *mut f64, *mut f64, @@ -3212,43 +2492,27 @@ pub unsafe extern "C" fn CINT2e_drv( *mut f64, ) -> (), >, - Option:: ()>, - >( - Some( - c2s_sph_2e1 - as unsafe extern "C" fn( - *mut f64, - *mut f64, - *mut i32, - *mut CINTEnvVars, - *mut f64, - ) -> (), - ), - ) + Option ()>, + >(Some( + c2s_sph_2e1 + as unsafe extern "C" fn( + *mut f64, + *mut f64, + *mut i32, + *mut CINTEnvVars, + *mut f64, + ) -> (), + )) { - counts[0 as i32 - as usize] = ((*envs).i_l * 2 as i32 + 1 as i32) - * *x_ctr.offset(0 as isize); - counts[1 as i32 - as usize] = ((*envs).j_l * 2 as i32 + 1 as i32) - * *x_ctr.offset(1 as isize); - counts[2 as i32 - as usize] = ((*envs).k_l * 2 as i32 + 1 as i32) - * *x_ctr.offset(2 as isize); - counts[3 as i32 - as usize] = ((*envs).l_l * 2 as i32 + 1 as i32) - * *x_ctr.offset(3 as isize); + counts[0 as i32 as usize] = ((*envs).i_l * 2 as i32 + 1 as i32) * *x_ctr.offset(0 as isize); + counts[1 as i32 as usize] = ((*envs).j_l * 2 as i32 + 1 as i32) * *x_ctr.offset(1 as isize); + counts[2 as i32 as usize] = ((*envs).k_l * 2 as i32 + 1 as i32) * *x_ctr.offset(2 as isize); + counts[3 as i32 as usize] = ((*envs).l_l * 2 as i32 + 1 as i32) * *x_ctr.offset(3 as isize); } else { - counts[0 as i32 - as usize] = (*envs).nfi * *x_ctr.offset(0 as isize); - counts[1 as i32 - as usize] = (*envs).nfj * *x_ctr.offset(1 as isize); - counts[2 as i32 - as usize] = (*envs).c2rust_unnamed.nfk - * *x_ctr.offset(2 as isize); - counts[3 as i32 - as usize] = (*envs).c2rust_unnamed_0.nfl - * *x_ctr.offset(3 as isize); + counts[0 as i32 as usize] = (*envs).nfi * *x_ctr.offset(0 as isize); + counts[1 as i32 as usize] = (*envs).nfj * *x_ctr.offset(1 as isize); + counts[2 as i32 as usize] = (*envs).c2rust_unnamed.nfk * *x_ctr.offset(2 as isize); + counts[3 as i32 as usize] = (*envs).c2rust_unnamed_0.nfl * *x_ctr.offset(3 as isize); } if dims.is_null() { dims = counts.as_mut_ptr(); @@ -3260,10 +2524,7 @@ pub unsafe extern "C" fn CINT2e_drv( if empty == 0 { n = 0 as i32; while n < n_comp { - ::core::mem::transmute::< - _, - fn(_, _, _, _, _), - >( + ::core::mem::transmute::<_, fn(_, _, _, _, _)>( (Some(f_c2s.expect("non-null function pointer"))) .expect("non-null function pointer"), )( @@ -3313,11 +2574,8 @@ pub unsafe fn CINTgout2e( ix = *idx.offset(0 as isize); iy = *idx.offset(1 as isize); iz = *idx.offset(2 as isize); - *gout - .offset( - n as isize, - ) = *g.offset(ix as isize) * *g.offset(iy as isize) - * *g.offset(iz as isize); + *gout.offset(n as isize) = + *g.offset(ix as isize) * *g.offset(iy as isize) * *g.offset(iz as isize); n += 1; n; idx = idx.offset(3 as isize); @@ -3329,14 +2587,11 @@ pub unsafe fn CINTgout2e( ix = *idx.offset(0 as isize); iy = *idx.offset(1 as isize); iz = *idx.offset(2 as isize); - *gout - .offset( - n as isize, - ) = *g.offset(ix as isize) * *g.offset(iy as isize) - * *g.offset(iz as isize) - + *g.offset((ix + 1 as i32) as isize) - * *g.offset((iy + 1 as i32) as isize) - * *g.offset((iz + 1 as i32) as isize); + *gout.offset(n as isize) = + *g.offset(ix as isize) * *g.offset(iy as isize) * *g.offset(iz as isize) + + *g.offset((ix + 1 as i32) as isize) + * *g.offset((iy + 1 as i32) as isize) + * *g.offset((iz + 1 as i32) as isize); n += 1; n; idx = idx.offset(3 as isize); @@ -3348,17 +2603,14 @@ pub unsafe fn CINTgout2e( ix = *idx.offset(0 as isize); iy = *idx.offset(1 as isize); iz = *idx.offset(2 as isize); - *gout - .offset( - n as isize, - ) = *g.offset(ix as isize) * *g.offset(iy as isize) - * *g.offset(iz as isize) - + *g.offset((ix + 1 as i32) as isize) - * *g.offset((iy + 1 as i32) as isize) - * *g.offset((iz + 1 as i32) as isize) - + *g.offset((ix + 2 as i32) as isize) - * *g.offset((iy + 2 as i32) as isize) - * *g.offset((iz + 2 as i32) as isize); + *gout.offset(n as isize) = + *g.offset(ix as isize) * *g.offset(iy as isize) * *g.offset(iz as isize) + + *g.offset((ix + 1 as i32) as isize) + * *g.offset((iy + 1 as i32) as isize) + * *g.offset((iz + 1 as i32) as isize) + + *g.offset((ix + 2 as i32) as isize) + * *g.offset((iy + 2 as i32) as isize) + * *g.offset((iz + 2 as i32) as isize); n += 1; n; idx = idx.offset(3 as isize); @@ -3370,20 +2622,17 @@ pub unsafe fn CINTgout2e( ix = *idx.offset(0 as isize); iy = *idx.offset(1 as isize); iz = *idx.offset(2 as isize); - *gout - .offset( - n as isize, - ) = *g.offset(ix as isize) * *g.offset(iy as isize) - * *g.offset(iz as isize) - + *g.offset((ix + 1 as i32) as isize) - * *g.offset((iy + 1 as i32) as isize) - * *g.offset((iz + 1 as i32) as isize) - + *g.offset((ix + 2 as i32) as isize) - * *g.offset((iy + 2 as i32) as isize) - * *g.offset((iz + 2 as i32) as isize) - + *g.offset((ix + 3 as i32) as isize) - * *g.offset((iy + 3 as i32) as isize) - * *g.offset((iz + 3 as i32) as isize); + *gout.offset(n as isize) = + *g.offset(ix as isize) * *g.offset(iy as isize) * *g.offset(iz as isize) + + *g.offset((ix + 1 as i32) as isize) + * *g.offset((iy + 1 as i32) as isize) + * *g.offset((iz + 1 as i32) as isize) + + *g.offset((ix + 2 as i32) as isize) + * *g.offset((iy + 2 as i32) as isize) + * *g.offset((iz + 2 as i32) as isize) + + *g.offset((ix + 3 as i32) as isize) + * *g.offset((iy + 3 as i32) as isize) + * *g.offset((iz + 3 as i32) as isize); n += 1; n; idx = idx.offset(3 as isize); @@ -3395,23 +2644,20 @@ pub unsafe fn CINTgout2e( ix = *idx.offset(0 as isize); iy = *idx.offset(1 as isize); iz = *idx.offset(2 as isize); - *gout - .offset( - n as isize, - ) = *g.offset(ix as isize) * *g.offset(iy as isize) - * *g.offset(iz as isize) - + *g.offset((ix + 1 as i32) as isize) - * *g.offset((iy + 1 as i32) as isize) - * *g.offset((iz + 1 as i32) as isize) - + *g.offset((ix + 2 as i32) as isize) - * *g.offset((iy + 2 as i32) as isize) - * *g.offset((iz + 2 as i32) as isize) - + *g.offset((ix + 3 as i32) as isize) - * *g.offset((iy + 3 as i32) as isize) - * *g.offset((iz + 3 as i32) as isize) - + *g.offset((ix + 4 as i32) as isize) - * *g.offset((iy + 4 as i32) as isize) - * *g.offset((iz + 4 as i32) as isize); + *gout.offset(n as isize) = + *g.offset(ix as isize) * *g.offset(iy as isize) * *g.offset(iz as isize) + + *g.offset((ix + 1 as i32) as isize) + * *g.offset((iy + 1 as i32) as isize) + * *g.offset((iz + 1 as i32) as isize) + + *g.offset((ix + 2 as i32) as isize) + * *g.offset((iy + 2 as i32) as isize) + * *g.offset((iz + 2 as i32) as isize) + + *g.offset((ix + 3 as i32) as isize) + * *g.offset((iy + 3 as i32) as isize) + * *g.offset((iz + 3 as i32) as isize) + + *g.offset((ix + 4 as i32) as isize) + * *g.offset((iy + 4 as i32) as isize) + * *g.offset((iz + 4 as i32) as isize); n += 1; n; idx = idx.offset(3 as isize); @@ -3423,26 +2669,23 @@ pub unsafe fn CINTgout2e( ix = *idx.offset(0 as isize); iy = *idx.offset(1 as isize); iz = *idx.offset(2 as isize); - *gout - .offset( - n as isize, - ) = *g.offset(ix as isize) * *g.offset(iy as isize) - * *g.offset(iz as isize) - + *g.offset((ix + 1 as i32) as isize) - * *g.offset((iy + 1 as i32) as isize) - * *g.offset((iz + 1 as i32) as isize) - + *g.offset((ix + 2 as i32) as isize) - * *g.offset((iy + 2 as i32) as isize) - * *g.offset((iz + 2 as i32) as isize) - + *g.offset((ix + 3 as i32) as isize) - * *g.offset((iy + 3 as i32) as isize) - * *g.offset((iz + 3 as i32) as isize) - + *g.offset((ix + 4 as i32) as isize) - * *g.offset((iy + 4 as i32) as isize) - * *g.offset((iz + 4 as i32) as isize) - + *g.offset((ix + 5 as i32) as isize) - * *g.offset((iy + 5 as i32) as isize) - * *g.offset((iz + 5 as i32) as isize); + *gout.offset(n as isize) = + *g.offset(ix as isize) * *g.offset(iy as isize) * *g.offset(iz as isize) + + *g.offset((ix + 1 as i32) as isize) + * *g.offset((iy + 1 as i32) as isize) + * *g.offset((iz + 1 as i32) as isize) + + *g.offset((ix + 2 as i32) as isize) + * *g.offset((iy + 2 as i32) as isize) + * *g.offset((iz + 2 as i32) as isize) + + *g.offset((ix + 3 as i32) as isize) + * *g.offset((iy + 3 as i32) as isize) + * *g.offset((iz + 3 as i32) as isize) + + *g.offset((ix + 4 as i32) as isize) + * *g.offset((iy + 4 as i32) as isize) + * *g.offset((iz + 4 as i32) as isize) + + *g.offset((ix + 5 as i32) as isize) + * *g.offset((iy + 5 as i32) as isize) + * *g.offset((iz + 5 as i32) as isize); n += 1; n; idx = idx.offset(3 as isize); @@ -3454,29 +2697,26 @@ pub unsafe fn CINTgout2e( ix = *idx.offset(0 as isize); iy = *idx.offset(1 as isize); iz = *idx.offset(2 as isize); - *gout - .offset( - n as isize, - ) = *g.offset(ix as isize) * *g.offset(iy as isize) - * *g.offset(iz as isize) - + *g.offset((ix + 1 as i32) as isize) - * *g.offset((iy + 1 as i32) as isize) - * *g.offset((iz + 1 as i32) as isize) - + *g.offset((ix + 2 as i32) as isize) - * *g.offset((iy + 2 as i32) as isize) - * *g.offset((iz + 2 as i32) as isize) - + *g.offset((ix + 3 as i32) as isize) - * *g.offset((iy + 3 as i32) as isize) - * *g.offset((iz + 3 as i32) as isize) - + *g.offset((ix + 4 as i32) as isize) - * *g.offset((iy + 4 as i32) as isize) - * *g.offset((iz + 4 as i32) as isize) - + *g.offset((ix + 5 as i32) as isize) - * *g.offset((iy + 5 as i32) as isize) - * *g.offset((iz + 5 as i32) as isize) - + *g.offset((ix + 6 as i32) as isize) - * *g.offset((iy + 6 as i32) as isize) - * *g.offset((iz + 6 as i32) as isize); + *gout.offset(n as isize) = + *g.offset(ix as isize) * *g.offset(iy as isize) * *g.offset(iz as isize) + + *g.offset((ix + 1 as i32) as isize) + * *g.offset((iy + 1 as i32) as isize) + * *g.offset((iz + 1 as i32) as isize) + + *g.offset((ix + 2 as i32) as isize) + * *g.offset((iy + 2 as i32) as isize) + * *g.offset((iz + 2 as i32) as isize) + + *g.offset((ix + 3 as i32) as isize) + * *g.offset((iy + 3 as i32) as isize) + * *g.offset((iz + 3 as i32) as isize) + + *g.offset((ix + 4 as i32) as isize) + * *g.offset((iy + 4 as i32) as isize) + * *g.offset((iz + 4 as i32) as isize) + + *g.offset((ix + 5 as i32) as isize) + * *g.offset((iy + 5 as i32) as isize) + * *g.offset((iz + 5 as i32) as isize) + + *g.offset((ix + 6 as i32) as isize) + * *g.offset((iy + 6 as i32) as isize) + * *g.offset((iz + 6 as i32) as isize); n += 1; n; idx = idx.offset(3 as isize); @@ -3488,32 +2728,29 @@ pub unsafe fn CINTgout2e( ix = *idx.offset(0 as isize); iy = *idx.offset(1 as isize); iz = *idx.offset(2 as isize); - *gout - .offset( - n as isize, - ) = *g.offset(ix as isize) * *g.offset(iy as isize) - * *g.offset(iz as isize) - + *g.offset((ix + 1 as i32) as isize) - * *g.offset((iy + 1 as i32) as isize) - * *g.offset((iz + 1 as i32) as isize) - + *g.offset((ix + 2 as i32) as isize) - * *g.offset((iy + 2 as i32) as isize) - * *g.offset((iz + 2 as i32) as isize) - + *g.offset((ix + 3 as i32) as isize) - * *g.offset((iy + 3 as i32) as isize) - * *g.offset((iz + 3 as i32) as isize) - + *g.offset((ix + 4 as i32) as isize) - * *g.offset((iy + 4 as i32) as isize) - * *g.offset((iz + 4 as i32) as isize) - + *g.offset((ix + 5 as i32) as isize) - * *g.offset((iy + 5 as i32) as isize) - * *g.offset((iz + 5 as i32) as isize) - + *g.offset((ix + 6 as i32) as isize) - * *g.offset((iy + 6 as i32) as isize) - * *g.offset((iz + 6 as i32) as isize) - + *g.offset((ix + 7 as i32) as isize) - * *g.offset((iy + 7 as i32) as isize) - * *g.offset((iz + 7 as i32) as isize); + *gout.offset(n as isize) = + *g.offset(ix as isize) * *g.offset(iy as isize) * *g.offset(iz as isize) + + *g.offset((ix + 1 as i32) as isize) + * *g.offset((iy + 1 as i32) as isize) + * *g.offset((iz + 1 as i32) as isize) + + *g.offset((ix + 2 as i32) as isize) + * *g.offset((iy + 2 as i32) as isize) + * *g.offset((iz + 2 as i32) as isize) + + *g.offset((ix + 3 as i32) as isize) + * *g.offset((iy + 3 as i32) as isize) + * *g.offset((iz + 3 as i32) as isize) + + *g.offset((ix + 4 as i32) as isize) + * *g.offset((iy + 4 as i32) as isize) + * *g.offset((iz + 4 as i32) as isize) + + *g.offset((ix + 5 as i32) as isize) + * *g.offset((iy + 5 as i32) as isize) + * *g.offset((iz + 5 as i32) as isize) + + *g.offset((ix + 6 as i32) as isize) + * *g.offset((iy + 6 as i32) as isize) + * *g.offset((iz + 6 as i32) as isize) + + *g.offset((ix + 7 as i32) as isize) + * *g.offset((iy + 7 as i32) as isize) + * *g.offset((iz + 7 as i32) as isize); n += 1; n; idx = idx.offset(3 as isize); @@ -3528,10 +2765,9 @@ pub unsafe fn CINTgout2e( s = 0 as f64; i = 0 as i32; while i < (*envs).nrys_roots { - s - += *g.offset((ix + i) as isize) - * *g.offset((iy + i) as isize) - * *g.offset((iz + i) as isize); + s += *g.offset((ix + i) as isize) + * *g.offset((iy + i) as isize) + * *g.offset((iz + i) as isize); i += 1; i; } @@ -3550,9 +2786,8 @@ pub unsafe fn CINTgout2e( ix = *idx.offset(0 as isize); iy = *idx.offset(1 as isize); iz = *idx.offset(2 as isize); - *gout.offset(n as isize) - += *g.offset(ix as isize) * *g.offset(iy as isize) - * *g.offset(iz as isize); + *gout.offset(n as isize) += + *g.offset(ix as isize) * *g.offset(iy as isize) * *g.offset(iz as isize); n += 1; n; idx = idx.offset(3 as isize); @@ -3564,9 +2799,8 @@ pub unsafe fn CINTgout2e( ix = *idx.offset(0 as isize); iy = *idx.offset(1 as isize); iz = *idx.offset(2 as isize); - *gout.offset(n as isize) - += *g.offset(ix as isize) * *g.offset(iy as isize) - * *g.offset(iz as isize) + *gout.offset(n as isize) += + *g.offset(ix as isize) * *g.offset(iy as isize) * *g.offset(iz as isize) + *g.offset((ix + 1 as i32) as isize) * *g.offset((iy + 1 as i32) as isize) * *g.offset((iz + 1 as i32) as isize); @@ -3581,9 +2815,8 @@ pub unsafe fn CINTgout2e( ix = *idx.offset(0 as isize); iy = *idx.offset(1 as isize); iz = *idx.offset(2 as isize); - *gout.offset(n as isize) - += *g.offset(ix as isize) * *g.offset(iy as isize) - * *g.offset(iz as isize) + *gout.offset(n as isize) += + *g.offset(ix as isize) * *g.offset(iy as isize) * *g.offset(iz as isize) + *g.offset((ix + 1 as i32) as isize) * *g.offset((iy + 1 as i32) as isize) * *g.offset((iz + 1 as i32) as isize) @@ -3601,9 +2834,8 @@ pub unsafe fn CINTgout2e( ix = *idx.offset(0 as isize); iy = *idx.offset(1 as isize); iz = *idx.offset(2 as isize); - *gout.offset(n as isize) - += *g.offset(ix as isize) * *g.offset(iy as isize) - * *g.offset(iz as isize) + *gout.offset(n as isize) += + *g.offset(ix as isize) * *g.offset(iy as isize) * *g.offset(iz as isize) + *g.offset((ix + 1 as i32) as isize) * *g.offset((iy + 1 as i32) as isize) * *g.offset((iz + 1 as i32) as isize) @@ -3624,9 +2856,8 @@ pub unsafe fn CINTgout2e( ix = *idx.offset(0 as isize); iy = *idx.offset(1 as isize); iz = *idx.offset(2 as isize); - *gout.offset(n as isize) - += *g.offset(ix as isize) * *g.offset(iy as isize) - * *g.offset(iz as isize) + *gout.offset(n as isize) += + *g.offset(ix as isize) * *g.offset(iy as isize) * *g.offset(iz as isize) + *g.offset((ix + 1 as i32) as isize) * *g.offset((iy + 1 as i32) as isize) * *g.offset((iz + 1 as i32) as isize) @@ -3650,9 +2881,8 @@ pub unsafe fn CINTgout2e( ix = *idx.offset(0 as isize); iy = *idx.offset(1 as isize); iz = *idx.offset(2 as isize); - *gout.offset(n as isize) - += *g.offset(ix as isize) * *g.offset(iy as isize) - * *g.offset(iz as isize) + *gout.offset(n as isize) += + *g.offset(ix as isize) * *g.offset(iy as isize) * *g.offset(iz as isize) + *g.offset((ix + 1 as i32) as isize) * *g.offset((iy + 1 as i32) as isize) * *g.offset((iz + 1 as i32) as isize) @@ -3679,9 +2909,8 @@ pub unsafe fn CINTgout2e( ix = *idx.offset(0 as isize); iy = *idx.offset(1 as isize); iz = *idx.offset(2 as isize); - *gout.offset(n as isize) - += *g.offset(ix as isize) * *g.offset(iy as isize) - * *g.offset(iz as isize) + *gout.offset(n as isize) += + *g.offset(ix as isize) * *g.offset(iy as isize) * *g.offset(iz as isize) + *g.offset((ix + 1 as i32) as isize) * *g.offset((iy + 1 as i32) as isize) * *g.offset((iz + 1 as i32) as isize) @@ -3711,9 +2940,8 @@ pub unsafe fn CINTgout2e( ix = *idx.offset(0 as isize); iy = *idx.offset(1 as isize); iz = *idx.offset(2 as isize); - *gout.offset(n as isize) - += *g.offset(ix as isize) * *g.offset(iy as isize) - * *g.offset(iz as isize) + *gout.offset(n as isize) += + *g.offset(ix as isize) * *g.offset(iy as isize) * *g.offset(iz as isize) + *g.offset((ix + 1 as i32) as isize) * *g.offset((iy + 1 as i32) as isize) * *g.offset((iz + 1 as i32) as isize) @@ -3749,10 +2977,9 @@ pub unsafe fn CINTgout2e( s = 0 as f64; i = 0 as i32; while i < (*envs).nrys_roots { - s - += *g.offset((ix + i) as isize) - * *g.offset((iy + i) as isize) - * *g.offset((iz + i) as isize); + s += *g.offset((ix + i) as isize) + * *g.offset((iy + i) as isize) + * *g.offset((iz + i) as isize); i += 1; i; } @@ -3779,41 +3006,16 @@ pub unsafe extern "C" fn int2e_sph( mut cache: *mut f64, ) -> i32 { let ng: [i32; 8] = [ - 0 as i32, - 0 as i32, - 0 as i32, - 0 as i32, - 0 as i32, - 1 as i32, - 1 as i32, - 1 as i32, + 0 as i32, 0 as i32, 0 as i32, 0 as i32, 0 as i32, 1 as i32, 1 as i32, 1 as i32, ]; let mut envs: CINTEnvVars = CINTEnvVars::new(); CINTinit_int2e_EnvVars(&mut envs, &ng, shls, atm, natm, bas, nbas, env); - envs - .f_gout = ::core::mem::transmute::< - Option::< - unsafe fn( - *mut f64, - *mut f64, - *mut i32, - &CINTEnvVars, - i32, - ) -> (), - >, - Option:: ()>, - >( - Some( - CINTgout2e - as unsafe fn( - *mut f64, - *mut f64, - *mut i32, - &CINTEnvVars, - i32, - ) -> (), - ), - ); + envs.f_gout = ::core::mem::transmute::< + Option ()>, + Option ()>, + >(Some( + CINTgout2e as unsafe fn(*mut f64, *mut f64, *mut i32, &CINTEnvVars, i32) -> (), + )); return CINT2e_drv( out, dims, @@ -3821,7 +3023,7 @@ pub unsafe extern "C" fn int2e_sph( opt, cache, ::core::mem::transmute::< - Option::< + Option< unsafe extern "C" fn( *mut f64, *mut f64, @@ -3830,19 +3032,17 @@ pub unsafe extern "C" fn int2e_sph( *mut f64, ) -> (), >, - Option:: ()>, - >( - Some( - c2s_sph_2e1 - as unsafe extern "C" fn( - *mut f64, - *mut f64, - *mut i32, - *mut CINTEnvVars, - *mut f64, - ) -> (), - ), - ), + Option ()>, + >(Some( + c2s_sph_2e1 + as unsafe extern "C" fn( + *mut f64, + *mut f64, + *mut i32, + *mut CINTEnvVars, + *mut f64, + ) -> (), + )), ); } #[no_mangle] @@ -3855,14 +3055,7 @@ pub unsafe extern "C" fn int2e_optimizer( mut env: *mut f64, ) { let mut ng: [i32; 8] = [ - 0 as i32, - 0 as i32, - 0 as i32, - 0 as i32, - 0 as i32, - 1 as i32, - 1 as i32, - 1 as i32, + 0 as i32, 0 as i32, 0 as i32, 0 as i32, 0 as i32, 1 as i32, 1 as i32, 1 as i32, ]; CINTall_2e_optimizer(opt, &ng, atm, natm, bas, nbas, env); } @@ -3880,41 +3073,16 @@ pub unsafe extern "C" fn int2e_cart( mut cache: *mut f64, ) -> i32 { let ng: [i32; 8] = [ - 0 as i32, - 0 as i32, - 0 as i32, - 0 as i32, - 0 as i32, - 1 as i32, - 1 as i32, - 1 as i32, + 0 as i32, 0 as i32, 0 as i32, 0 as i32, 0 as i32, 1 as i32, 1 as i32, 1 as i32, ]; let mut envs: CINTEnvVars = CINTEnvVars::new(); CINTinit_int2e_EnvVars(&mut envs, &ng, shls, atm, natm, bas, nbas, env); - envs - .f_gout = ::core::mem::transmute::< - Option::< - unsafe fn( - *mut f64, - *mut f64, - *mut i32, - &CINTEnvVars, - i32, - ) -> (), - >, - Option:: ()>, - >( - Some( - CINTgout2e - as unsafe fn( - *mut f64, - *mut f64, - *mut i32, - &CINTEnvVars, - i32, - ) -> (), - ), - ); + envs.f_gout = ::core::mem::transmute::< + Option ()>, + Option ()>, + >(Some( + CINTgout2e as unsafe fn(*mut f64, *mut f64, *mut i32, &CINTEnvVars, i32) -> (), + )); return CINT2e_drv( out, dims, @@ -3922,7 +3090,7 @@ pub unsafe extern "C" fn int2e_cart( opt, cache, ::core::mem::transmute::< - Option::< + Option< unsafe extern "C" fn( *mut f64, *mut f64, @@ -3931,19 +3099,17 @@ pub unsafe extern "C" fn int2e_cart( *mut f64, ) -> (), >, - Option:: ()>, - >( - Some( - c2s_cart_2e1 - as unsafe extern "C" fn( - *mut f64, - *mut f64, - *mut i32, - *mut CINTEnvVars, - *mut f64, - ) -> (), - ), - ), + Option ()>, + >(Some( + c2s_cart_2e1 + as unsafe extern "C" fn( + *mut f64, + *mut f64, + *mut i32, + *mut CINTEnvVars, + *mut f64, + ) -> (), + )), ); } // #[no_mangle] diff --git a/src/cint_bas.rs b/src/cint_bas.rs index d08fca2..3944aa2 100644 --- a/src/cint_bas.rs +++ b/src/cint_bas.rs @@ -1,37 +1,29 @@ -#![allow(dead_code, mutable_transmutes, non_camel_case_types, non_snake_case, non_upper_case_globals, unused_assignments, unused_mut)] +#![allow( + dead_code, + mutable_transmutes, + non_camel_case_types, + non_snake_case, + non_upper_case_globals, + unused_assignments, + unused_mut +)] #[no_mangle] pub unsafe extern "C" fn CINTlen_cart(l: i32) -> i32 { return (l + 1 as i32) * (l + 2 as i32) / 2 as i32; } #[no_mangle] -pub unsafe extern "C" fn CINTlen_spinor( - bas_id: i32, - mut bas: *const i32, -) -> i32 { - if 0 as i32 - == *bas.offset((8 as i32 * bas_id + 4 as i32) as isize) - { - return 4 as i32 - * *bas.offset((8 as i32 * bas_id + 1 as i32) as isize) - + 2 as i32 - } else if *bas.offset((8 as i32 * bas_id + 4 as i32) as isize) - < 0 as i32 - { - return 2 as i32 - * *bas.offset((8 as i32 * bas_id + 1 as i32) as isize) - + 2 as i32 +pub unsafe extern "C" fn CINTlen_spinor(bas_id: i32, mut bas: *const i32) -> i32 { + if 0 as i32 == *bas.offset((8 as i32 * bas_id + 4 as i32) as isize) { + return 4 as i32 * *bas.offset((8 as i32 * bas_id + 1 as i32) as isize) + 2 as i32; + } else if *bas.offset((8 as i32 * bas_id + 4 as i32) as isize) < 0 as i32 { + return 2 as i32 * *bas.offset((8 as i32 * bas_id + 1 as i32) as isize) + 2 as i32; } else { - return 2 as i32 - * *bas.offset((8 as i32 * bas_id + 1 as i32) as isize) + return 2 as i32 * *bas.offset((8 as i32 * bas_id + 1 as i32) as isize); }; } #[no_mangle] -pub unsafe extern "C" fn CINTcgtos_cart( - bas_id: i32, - mut bas: *const i32, -) -> i32 { - let mut l: i32 = *bas - .offset((8 as i32 * bas_id + 1 as i32) as isize); +pub unsafe extern "C" fn CINTcgtos_cart(bas_id: i32, mut bas: *const i32) -> i32 { + let mut l: i32 = *bas.offset((8 as i32 * bas_id + 1 as i32) as isize); return (l + 1 as i32) * (l + 2 as i32) / 2 as i32 * *bas.offset((8 as i32 * bas_id + 3 as i32) as isize); } @@ -49,21 +41,14 @@ pub unsafe extern "C" fn CINTcgtos_cart( #[no_mangle] #[inline(never)] -pub fn CINTcgto_cart( - bas_id: usize, - bas: &[i32], -) -> i32 { +pub fn CINTcgto_cart(bas_id: usize, bas: &[i32]) -> i32 { let mut l: i32 = bas[8 * bas_id + 1]; return (l + 1) * (l + 2) / 2 * bas[8 * bas_id + 3]; } #[no_mangle] -pub unsafe extern "C" fn CINTcgtos_spheric( - bas_id: i32, - mut bas: *const i32, -) -> i32 { - return (*bas.offset((8 as i32 * bas_id + 1 as i32) as isize) - * 2 as i32 + 1 as i32) +pub unsafe extern "C" fn CINTcgtos_spheric(bas_id: i32, mut bas: *const i32) -> i32 { + return (*bas.offset((8 as i32 * bas_id + 1 as i32) as isize) * 2 as i32 + 1 as i32) * *bas.offset((8 as i32 * bas_id + 3 as i32) as isize); } @@ -78,66 +63,45 @@ pub unsafe extern "C" fn CINTcgtos_spheric( // } #[no_mangle] -pub fn CINTcgto_spheric( - bas_id: usize, - bas: &[i32], -) -> i32 { +pub fn CINTcgto_spheric(bas_id: usize, bas: &[i32]) -> i32 { return (bas[8 * bas_id + 1] * 2 + 1) * bas[8 * bas_id + 3]; } #[no_mangle] -pub unsafe extern "C" fn CINTcgtos_spinor( - bas_id: i32, - mut bas: *const i32, -) -> i32 { - return CINTlen_spinor(bas_id, bas) - * *bas.offset((8 as i32 * bas_id + 3 as i32) as isize); +pub unsafe extern "C" fn CINTcgtos_spinor(bas_id: i32, mut bas: *const i32) -> i32 { + return CINTlen_spinor(bas_id, bas) * *bas.offset((8 as i32 * bas_id + 3 as i32) as isize); } #[no_mangle] -pub unsafe extern "C" fn CINTcgto_spinor( - bas_id: i32, - mut bas: *const i32, -) -> i32 { - return CINTlen_spinor(bas_id, bas) - * *bas.offset((8 as i32 * bas_id + 3 as i32) as isize); +pub unsafe extern "C" fn CINTcgto_spinor(bas_id: i32, mut bas: *const i32) -> i32 { + return CINTlen_spinor(bas_id, bas) * *bas.offset((8 as i32 * bas_id + 3 as i32) as isize); } #[no_mangle] -pub unsafe extern "C" fn CINTtot_pgto_spheric( - mut bas: *const i32, - nbas: i32, -) -> i32 { +pub unsafe extern "C" fn CINTtot_pgto_spheric(mut bas: *const i32, nbas: i32) -> i32 { let mut i: i32 = 0; let mut s: i32 = 0 as i32; i = 0 as i32; while i < nbas { - s - += (*bas.offset((8 as i32 * i + 1 as i32) as isize) - * 2 as i32 + 1 as i32) - * *bas.offset((8 as i32 * i + 2 as i32) as isize); + s += (*bas.offset((8 as i32 * i + 1 as i32) as isize) * 2 as i32 + 1 as i32) + * *bas.offset((8 as i32 * i + 2 as i32) as isize); i += 1; i; } return s; } #[no_mangle] -pub unsafe extern "C" fn CINTtot_pgto_spinor( - mut bas: *const i32, - nbas: i32, -) -> i32 { +pub unsafe extern "C" fn CINTtot_pgto_spinor(mut bas: *const i32, nbas: i32) -> i32 { let mut i: i32 = 0; let mut s: i32 = 0 as i32; i = 0 as i32; while i < nbas { - s - += CINTlen_spinor(i, bas) - * *bas.offset((8 as i32 * i + 2 as i32) as isize); + s += CINTlen_spinor(i, bas) * *bas.offset((8 as i32 * i + 2 as i32) as isize); i += 1; i; } return s; } unsafe extern "C" fn tot_cgto_accum( - mut f: Option:: i32>, + mut f: Option i32>, mut bas: *const i32, nbas: i32, ) -> i32 { @@ -145,14 +109,9 @@ unsafe extern "C" fn tot_cgto_accum( let mut s: i32 = 0 as i32; i = 0 as i32; while i < nbas { - s - += ::core::mem::transmute::< - _, - fn(_, _) -> i32, - >( - (Some(f.expect("non-null function pointer"))) - .expect("non-null function pointer"), - )(i, bas); + s += ::core::mem::transmute::<_, fn(_, _) -> i32>( + (Some(f.expect("non-null function pointer"))).expect("non-null function pointer"), + )(i, bas); i += 1; i; } @@ -183,25 +142,14 @@ unsafe extern "C" fn tot_cgto_accum( // ); // } #[no_mangle] -pub unsafe extern "C" fn CINTtot_cgto_spinor( - mut bas: *const i32, - nbas: i32, -) -> i32 { +pub unsafe extern "C" fn CINTtot_cgto_spinor(mut bas: *const i32, nbas: i32) -> i32 { return tot_cgto_accum( ::core::mem::transmute::< - Option::< - unsafe extern "C" fn(i32, *const i32) -> i32, - >, - Option:: i32>, - >( - Some( - CINTcgto_spinor - as unsafe extern "C" fn( - i32, - *const i32, - ) -> i32, - ), - ), + Option i32>, + Option i32>, + >(Some( + CINTcgto_spinor as unsafe extern "C" fn(i32, *const i32) -> i32, + )), bas, nbas, ); @@ -231,7 +179,7 @@ pub unsafe extern "C" fn CINTtot_cgto_spinor( // ); // } unsafe extern "C" fn shells_cgto_offset( - mut f: Option:: i32>, + mut f: Option i32>, mut ao_loc: *mut i32, mut bas: *const i32, nbas: i32, @@ -240,16 +188,9 @@ unsafe extern "C" fn shells_cgto_offset( *ao_loc.offset(0 as isize) = 0 as i32; i = 1 as i32; while i < nbas { - *ao_loc - .offset( - i as isize, - ) = *ao_loc.offset((i - 1 as i32) as isize) - + ::core::mem::transmute::< - _, - fn(_, _) -> i32, - >( - (Some(f.expect("non-null function pointer"))) - .expect("non-null function pointer"), + *ao_loc.offset(i as isize) = *ao_loc.offset((i - 1 as i32) as isize) + + ::core::mem::transmute::<_, fn(_, _) -> i32>( + (Some(f.expect("non-null function pointer"))).expect("non-null function pointer"), )(i - 1 as i32, bas); i += 1; i; @@ -315,31 +256,18 @@ pub unsafe extern "C" fn CINTshells_spinor_offset( ) { shells_cgto_offset( ::core::mem::transmute::< - Option::< - unsafe extern "C" fn(i32, *const i32) -> i32, - >, - Option:: i32>, - >( - Some( - CINTcgto_spinor - as unsafe extern "C" fn( - i32, - *const i32, - ) -> i32, - ), - ), + Option i32>, + Option i32>, + >(Some( + CINTcgto_spinor as unsafe extern "C" fn(i32, *const i32) -> i32, + )), ao_loc, bas, nbas, ); } #[no_mangle] -pub unsafe extern "C" fn CINTcart_comp( - nx: *mut i32, - ny: *mut i32, - nz: *mut i32, - lmax: i32, -) { +pub unsafe extern "C" fn CINTcart_comp(nx: *mut i32, ny: *mut i32, nz: *mut i32, lmax: i32) { let mut inc: i32 = 0 as i32; let mut lx: i32 = 0; let mut ly: i32 = 0; diff --git a/src/eigh.rs b/src/eigh.rs index 6f41573..db1b934 100644 --- a/src/eigh.rs +++ b/src/eigh.rs @@ -1,4 +1,12 @@ -#![allow(dead_code, mutable_transmutes, non_camel_case_types, non_snake_case, non_upper_case_globals, unused_assignments, unused_mut)] +#![allow( + dead_code, + mutable_transmutes, + non_camel_case_types, + non_snake_case, + non_upper_case_globals, + unused_assignments, + unused_mut +)] #![feature(extern_types)] extern "C" { // fn sqrt(_: f64) -> f64; @@ -28,7 +36,11 @@ unsafe extern "C" fn _dlarrk( if n <= 0 as i32 { return 0 as i32; } - tnorm = if fabs(gl) > fabs(gu) { fabs(gl) } else { fabs(gu) }; + tnorm = if fabs(gl) > fabs(gu) { + fabs(gl) + } else { + fabs(gu) + }; info = -(1 as i32); left = gl - tnorm * 2.0f64 * 2.2204460492503131e-16f64 * n as f64; right = gu + tnorm * 2.0f64 * 2.2204460492503131e-16f64 * n as f64; @@ -38,7 +50,11 @@ unsafe extern "C" fn _dlarrk( if tmp1 <= 0 as f64 || tmp1 < reltol - * (if fabs(right) > fabs(left) { fabs(right) } else { fabs(left) }) + * (if fabs(right) > fabs(left) { + fabs(right) + } else { + fabs(left) + }) { info = 0 as i32; break; @@ -52,8 +68,7 @@ unsafe extern "C" fn _dlarrk( } i = 1 as i32; while i < n { - tmp1 = *diag.offset(i as isize) - - *e2.offset((i - 1 as i32) as isize) / tmp1 - mid; + tmp1 = *diag.offset(i as isize) - *e2.offset((i - 1 as i32) as isize) / tmp1 - mid; if tmp1 <= 0.0f64 { negcnt += 1; negcnt; @@ -138,22 +153,17 @@ unsafe extern "C" fn _dlasq4( let mut s: f64 = 0.0f64; let mut i: i32 = 0; if n0init == n0 { - if *dmin.offset(0 as isize) - == *dn.offset(0 as isize) - { - if *dmin.offset(1 as isize) - == *dn.offset(1 as isize) - { + if *dmin.offset(0 as isize) == *dn.offset(0 as isize) { + if *dmin.offset(1 as isize) == *dn.offset(1 as isize) { b1 = (*qvecp.offset((n0 - 1 as i32) as isize) - * *evecp.offset((n0 - 2 as i32) as isize) - ).sqrt(); + * *evecp.offset((n0 - 2 as i32) as isize)) + .sqrt(); b2 = (*qvecp.offset((n0 - 2 as i32) as isize) - * *evecp.offset((n0 - 3 as i32) as isize) - ).sqrt(); + * *evecp.offset((n0 - 3 as i32) as isize)) + .sqrt(); a2 = *qvecp.offset((n0 - 2 as i32) as isize) + *evecp.offset((n0 - 2 as i32) as isize); - gap2 = *dmin.offset(2 as isize) - a2 - - *dmin.offset(2 as isize) * 0.25f64; + gap2 = *dmin.offset(2 as isize) - a2 - *dmin.offset(2 as isize) * 0.25f64; if gap2 > b2 { gap1 = a2 - *dn.offset(0 as isize) - b2 / gap2 * b2; } else { @@ -173,7 +183,11 @@ unsafe extern "C" fn _dlasq4( s = *dn.offset(0 as isize) - b1; } if a2 > b1 + b2 { - s = if s < a2 - (b1 + b2) { s } else { a2 - (b1 + b2) }; + s = if s < a2 - (b1 + b2) { + s + } else { + a2 - (b1 + b2) + }; } s = if s > *dmin.offset(0 as isize) * 0.333f64 { s @@ -182,8 +196,7 @@ unsafe extern "C" fn _dlasq4( }; } } else { - if *evecp.offset((n0 - 2 as i32) as isize) - > *qvecp.offset((n0 - 2 as i32) as isize) + if *evecp.offset((n0 - 2 as i32) as isize) > *qvecp.offset((n0 - 2 as i32) as isize) { return 0 as i32; } @@ -206,26 +219,20 @@ unsafe extern "C" fn _dlasq4( } a2 *= 1.05f64; if a2 < 0.563f64 { - s = *dn.offset(0 as isize) * (1.0f64 - (a2).sqrt()) - / (a2 + 1.0f64); + s = *dn.offset(0 as isize) * (1.0f64 - (a2).sqrt()) / (a2 + 1.0f64); } else { s = *dmin.offset(0 as isize) * 0.25f64; } } - } else if *dmin.offset(0 as isize) - == *dn.offset(1 as isize) - { - if *evec1p.offset((n0 - 2 as i32) as isize) - > *qvec1p.offset((n0 - 1 as i32) as isize) - || *evecp.offset((n0 - 3 as i32) as isize) - > *qvecp.offset((n0 - 3 as i32) as isize) + } else if *dmin.offset(0 as isize) == *dn.offset(1 as isize) { + if *evec1p.offset((n0 - 2 as i32) as isize) > *qvec1p.offset((n0 - 1 as i32) as isize) + || *evecp.offset((n0 - 3 as i32) as isize) > *qvecp.offset((n0 - 3 as i32) as isize) { return 0 as i32; } - a2 = *evec1p.offset((n0 - 2 as i32) as isize) - / *qvec1p.offset((n0 - 1 as i32) as isize); - b2 = *evecp.offset((n0 - 3 as i32) as isize) - / *qvecp.offset((n0 - 3 as i32) as isize); + a2 = + *evec1p.offset((n0 - 2 as i32) as isize) / *qvec1p.offset((n0 - 1 as i32) as isize); + b2 = *evecp.offset((n0 - 3 as i32) as isize) / *qvecp.offset((n0 - 3 as i32) as isize); a2 += b2; i = n0 - 4 as i32; while i >= i0 { @@ -246,16 +253,12 @@ unsafe extern "C" fn _dlasq4( } a2 *= 1.05f64; if a2 < 0.563f64 { - s = *dn.offset(1 as isize) * (1.0f64 - (a2).sqrt()) - / (a2 + 1.0f64); + s = *dn.offset(1 as isize) * (1.0f64 - (a2).sqrt()) / (a2 + 1.0f64); } else { s = *dmin.offset(0 as isize) * 0.25f64; } - } else if *dmin.offset(0 as isize) - == *dn.offset(2 as isize) - { - if *evec1p.offset((n0 - 3 as i32) as isize) - > *qvec1p.offset((n0 - 2 as i32) as isize) + } else if *dmin.offset(0 as isize) == *dn.offset(2 as isize) { + if *evec1p.offset((n0 - 3 as i32) as isize) > *qvec1p.offset((n0 - 2 as i32) as isize) || *evec1p.offset((n0 - 2 as i32) as isize) > *qvec1p.offset((n0 - 1 as i32) as isize) { @@ -264,7 +267,8 @@ unsafe extern "C" fn _dlasq4( a2 = *evec1p.offset((n0 - 3 as i32) as isize) / *qvec1p.offset((n0 - 2 as i32) as isize) * (*evec1p.offset((n0 - 2 as i32) as isize) - / *qvec1p.offset((n0 - 1 as i32) as isize) + 1.0f64); + / *qvec1p.offset((n0 - 1 as i32) as isize) + + 1.0f64); if n0 - i0 > 3 as i32 { b2 = *evecp.offset((n0 - 4 as i32) as isize) / *qvecp.offset((n0 - 4 as i32) as isize); @@ -286,8 +290,7 @@ unsafe extern "C" fn _dlasq4( a2 *= 1.05f64; } if a2 < 0.563f64 { - s = *dn.offset(2 as isize) * (1.0f64 - (a2).sqrt()) - / (a2 + 1.0f64); + s = *dn.offset(2 as isize) * (1.0f64 - (a2).sqrt()) / (a2 + 1.0f64); } else { s = *dmin.offset(0 as isize) * 0.25f64; } @@ -295,19 +298,14 @@ unsafe extern "C" fn _dlasq4( s = *dmin.offset(0 as isize) * 0.25f64; } } else if n0init == n0 + 1 as i32 { - if *dmin.offset(1 as isize) - == *dn.offset(1 as isize) - && *dmin.offset(2 as isize) - == *dn.offset(2 as isize) + if *dmin.offset(1 as isize) == *dn.offset(1 as isize) + && *dmin.offset(2 as isize) == *dn.offset(2 as isize) { - if *evecp.offset((n0 - 2 as i32) as isize) - > *qvecp.offset((n0 - 2 as i32) as isize) - { + if *evecp.offset((n0 - 2 as i32) as isize) > *qvecp.offset((n0 - 2 as i32) as isize) { return 0 as i32; } s = *dmin.offset(1 as isize) * 0.333f64; - b1 = *evecp.offset((n0 - 2 as i32) as isize) - / *qvecp.offset((n0 - 2 as i32) as isize); + b1 = *evecp.offset((n0 - 2 as i32) as isize) / *qvecp.offset((n0 - 2 as i32) as isize); b2 = b1; if b2 != 0.0f64 { i = n0 - 3 as i32; @@ -341,26 +339,20 @@ unsafe extern "C" fn _dlasq4( a2 * (1.0f64 - b2 * 1.01f64) }; } - } else if *dmin.offset(1 as isize) - == *dn.offset(1 as isize) - { + } else if *dmin.offset(1 as isize) == *dn.offset(1 as isize) { s = *dmin.offset(1 as isize) * 0.5f64; } else { s = *dmin.offset(1 as isize) * 0.25f64; } } else if n0init == n0 + 2 as i32 { - if *dmin.offset(2 as isize) - == *dn.offset(2 as isize) + if *dmin.offset(2 as isize) == *dn.offset(2 as isize) && *evecp.offset((n0 - 2 as i32) as isize) * 2.0f64 < *qvecp.offset((n0 - 2 as i32) as isize) { - if *evecp.offset((n0 - 2 as i32) as isize) - > *qvecp.offset((n0 - 2 as i32) as isize) - { + if *evecp.offset((n0 - 2 as i32) as isize) > *qvecp.offset((n0 - 2 as i32) as isize) { return 0 as i32; } - b1 = *evecp.offset((n0 - 2 as i32) as isize) - / *qvecp.offset((n0 - 2 as i32) as isize); + b1 = *evecp.offset((n0 - 2 as i32) as isize) / *qvecp.offset((n0 - 2 as i32) as isize); b2 = b1; if b2 != 0.0f64 { i = n0 - 2 as i32; @@ -370,9 +362,8 @@ unsafe extern "C" fn _dlasq4( { return 0 as i32; } - b1 - *= *evecp.offset((i - 1 as i32) as isize) - / *qvecp.offset((i - 1 as i32) as isize); + b1 *= *evecp.offset((i - 1 as i32) as isize) + / *qvecp.offset((i - 1 as i32) as isize); b2 += b1; if b1 * 100.0f64 < b2 { break; @@ -387,8 +378,9 @@ unsafe extern "C" fn _dlasq4( gap2 = *qvecp.offset((n0 - 2 as i32) as isize) + *evecp.offset((n0 - 3 as i32) as isize) - (*qvecp.offset((n0 - 3 as i32) as isize) - * *evecp.offset((n0 - 3 as i32) as isize) - ).sqrt() - a2; + * *evecp.offset((n0 - 3 as i32) as isize)) + .sqrt() + - a2; if gap2 > 0.0f64 && gap2 > b2 * a2 { s = if s > a2 * (1.0f64 - a2 * 1.01f64 * (b2 / gap2) * b2) { s @@ -430,8 +422,7 @@ unsafe extern "C" fn _dlasq5( j = i0; while j < n0 - 3 as i32 { *qvec1p.offset(j as isize) = diag + *evecp.offset(j as isize); - temp = *qvecp.offset((j + 1 as i32) as isize) - / *qvec1p.offset(j as isize); + temp = *qvecp.offset((j + 1 as i32) as isize) / *qvec1p.offset(j as isize); diag = diag * temp - tau; if diag < tol { diag = 0.0f64; @@ -456,22 +447,12 @@ unsafe extern "C" fn _dlasq5( *dn.offset(0 as isize) = diag; *qvec1p.offset((n0 - 1 as i32) as isize) = diag; *dmin.offset(2 as isize) = diag_min; - *dmin - .offset( - 1 as isize, - ) = if *dmin.offset(2 as isize) - < *dn.offset(1 as isize) - { + *dmin.offset(1 as isize) = if *dmin.offset(2 as isize) < *dn.offset(1 as isize) { *dmin.offset(2 as isize) } else { *dn.offset(1 as isize) }; - *dmin - .offset( - 0 as isize, - ) = if *dmin.offset(1 as isize) - < *dn.offset(0 as isize) - { + *dmin.offset(0 as isize) = if *dmin.offset(1 as isize) < *dn.offset(0 as isize) { *dmin.offset(1 as isize) } else { *dn.offset(0 as isize) @@ -525,26 +506,19 @@ unsafe extern "C" fn _dlasq2( temp = fabs(*diag.offset(i as isize)); *qvec1.offset(i as isize) = 0.0f64; *evec1.offset(i as isize) = 0.0f64; - *evec - .offset( - (j - 1 as i32) as isize, - ) = *diag_off.offset(i as isize) * *diag_off.offset(i as isize) * temp; + *evec.offset((j - 1 as i32) as isize) = + *diag_off.offset(i as isize) * *diag_off.offset(i as isize) * temp; *qvec.offset(j as isize) = temp; i += 1; i; j -= 1; j; } - *qvec - .offset( - 0 as isize, - ) = fabs(*diag.offset((n - 1 as i32) as isize)); + *qvec.offset(0 as isize) = fabs(*diag.offset((n - 1 as i32) as isize)); *qvec1.offset((n - 1 as i32) as isize) = 0.0f64; *evec.offset((n - 1 as i32) as isize) = 0.0f64; *evec1.offset((n - 1 as i32) as isize) = 0.0f64; - if *qvec.offset(0 as isize) - < *qvec.offset((n - 1 as i32) as isize) * 1.5f64 - { + if *qvec.offset(0 as isize) < *qvec.offset((n - 1 as i32) as isize) * 1.5f64 { i = 0 as i32; j = n - 1 as i32; while i < n / 2 as i32 { @@ -565,11 +539,8 @@ unsafe extern "C" fn _dlasq2( while i < n - 1 as i32 { temp = diag_sum + *evec.offset(i as isize); *qvec1.offset(i as isize) = temp; - *evec1 - .offset( - i as isize, - ) = *qvec.offset((i + 1 as i32) as isize) - * (*evec.offset(i as isize) / temp); + *evec1.offset(i as isize) = + *qvec.offset((i + 1 as i32) as isize) * (*evec.offset(i as isize) / temp); diag_sum = *qvec.offset((i + 1 as i32) as isize) * (diag_sum / temp); i += 1; i; @@ -580,11 +551,8 @@ unsafe extern "C" fn _dlasq2( while i < n - 1 as i32 { temp = diag_sum + *evec1.offset(i as isize); *qvec.offset(i as isize) = temp; - *evec - .offset( - i as isize, - ) = *qvec1.offset((i + 1 as i32) as isize) - * (*evec1.offset(i as isize) / temp); + *evec.offset(i as isize) = + *qvec1.offset((i + 1 as i32) as isize) * (*evec1.offset(i as isize) / temp); diag_sum = *qvec1.offset((i + 1 as i32) as isize) * (diag_sum / temp); i += 1; i; @@ -628,14 +596,11 @@ unsafe extern "C" fn _dlasq2( qvec1p = qvec1; evecp = evec; evec1p = evec1; - if qmin < 0 as f64 - || emax < 0 as f64 - { + if qmin < 0 as f64 || emax < 0 as f64 { eprintln!("dlasq2: qmin < 0 or emax < 0"); return 1 as i32; } - dmin[0 as i32 - as usize] = -if 0.0f64 > qmin - 2.0f64 * (qmin * emax).sqrt() { + dmin[0 as i32 as usize] = -if 0.0f64 > qmin - 2.0f64 * (qmin * emax).sqrt() { 0.0f64 } else { qmin - 2.0f64 * (qmin * emax).sqrt() @@ -650,8 +615,7 @@ unsafe extern "C" fn _dlasq2( n1 = n0 - 1 as i32; n2 = n0 - 2 as i32; if n1 == i0 - || *evecp.offset(n2 as isize) - < tol2 * (sigma + *qvecp.offset(n1 as isize)) + || *evecp.offset(n2 as isize) < tol2 * (sigma + *qvecp.offset(n1 as isize)) || *evec1p.offset(n2 as isize) < tol2 * *qvecp.offset(n2 as isize) { *qvec.offset(n1 as isize) = *qvecp.offset(n1 as isize) + sigma; @@ -671,16 +635,14 @@ unsafe extern "C" fn _dlasq2( *qvecp.offset(n2 as isize) = s; } t = (*qvecp.offset(n2 as isize) - *qvecp.offset(n1 as isize) - + *evecp.offset(n2 as isize)) * 0.5f64; - if *evecp.offset(n2 as isize) > *qvecp.offset(n1 as isize) * tol2 - && t != 0.0f64 + + *evecp.offset(n2 as isize)) + * 0.5f64; + if *evecp.offset(n2 as isize) > *qvecp.offset(n1 as isize) * tol2 && t != 0.0f64 { - s = *qvecp.offset(n1 as isize) - * (*evecp.offset(n2 as isize) / t); + s = *qvecp.offset(n1 as isize) * (*evecp.offset(n2 as isize) / t); s = *qvecp.offset(n1 as isize) * (*evecp.offset(n2 as isize) / (t + (t * (t + s)).sqrt())); - t = *qvecp.offset(n2 as isize) - + (s + *evecp.offset(n2 as isize)); + t = *qvecp.offset(n2 as isize) + (s + *evecp.offset(n2 as isize)); *qvecp.offset(n1 as isize) *= *qvecp.offset(n2 as isize) / t; *qvecp.offset(n2 as isize) = t; } @@ -850,10 +812,7 @@ unsafe extern "C" fn _compute_eigenvalues( work = work.offset(n as isize); i = 0 as i32; while i < n - 1 as i32 { - *e2 - .offset( - i as isize, - ) = *diag_off1.offset(i as isize) * *diag_off1.offset(i as isize); + *e2.offset(i as isize) = *diag_off1.offset(i as isize) * *diag_off1.offset(i as isize); i += 1; i; } @@ -909,17 +868,17 @@ unsafe extern "C" fn _compute_eigenvalues( dmax = fabs(*work.offset(0 as isize)); i = 0 as i32; while i < n - 1 as i32 { - *work - .offset( - (n * 2 as i32 + i) as isize, - ) = 1.0f64 / *work.offset(i as isize); - tmp = *diag_off1.offset(i as isize) - * *work.offset((n * 2 as i32 + i) as isize); + *work.offset((n * 2 as i32 + i) as isize) = 1.0f64 / *work.offset(i as isize); + tmp = *diag_off1.offset(i as isize) * *work.offset((n * 2 as i32 + i) as isize); *work.offset((n + i) as isize) = tmp; - dpivot = *diag.offset((i + 1 as i32) as isize) - sigma - - tmp * *diag_off1.offset(i as isize); + dpivot = + *diag.offset((i + 1 as i32) as isize) - sigma - tmp * *diag_off1.offset(i as isize); *work.offset((i + 1 as i32) as isize) = dpivot; - dmax = if dmax > fabs(dpivot) { dmax } else { fabs(dpivot) }; + dmax = if dmax > fabs(dpivot) { + dmax + } else { + fabs(dpivot) + }; i += 1; i; } @@ -947,7 +906,7 @@ unsafe extern "C" fn _compute_eigenvalues( sigma = gu + spectral_diameter * 2.0f64 * eps * n as f64; } } else if idum == 6 as i32 { - return -(2 as i32) + return -(2 as i32); } else { sigma -= sgndef * tau; tau *= 2.0f64; @@ -970,7 +929,7 @@ unsafe extern "C" fn _compute_eigenvalues( } iinfo = _dlasq2(n, work, diag, diag_off1); if iinfo != 0 as i32 { - return -(5 as i32) + return -(5 as i32); } else { i = 0 as i32; while i < n { @@ -1005,10 +964,7 @@ unsafe extern "C" fn _compute_eigenvalues( } i = 0 as i32; while i < n - 1 as i32 { - *wgap - .offset( - i as isize, - ) = if 0.0f64 + *wgap.offset(i as isize) = if 0.0f64 > *w.offset((i + 1 as i32) as isize) - *werr.offset((i + 1 as i32) as isize) - (*w.offset(i as isize) + *werr.offset(i as isize)) @@ -1022,31 +978,18 @@ unsafe extern "C" fn _compute_eigenvalues( i += 1; i; } - *wgap - .offset( - -(1 as i32) as isize, - ) = if 0.0f64 - > *w.offset(0 as isize) - *werr.offset(0 as isize) - - gl - { - 0.0f64 - } else { - *w.offset(0 as isize) - *werr.offset(0 as isize) - - gl - }; - *wgap - .offset( - (n - 1 as i32) as isize, - ) = if 0.0f64 - > gu - sigma - - (*w.offset((n - 1 as i32) as isize) - + *werr.offset((n - 1 as i32) as isize)) + *wgap.offset(-(1 as i32) as isize) = + if 0.0f64 > *w.offset(0 as isize) - *werr.offset(0 as isize) - gl { + 0.0f64 + } else { + *w.offset(0 as isize) - *werr.offset(0 as isize) - gl + }; + *wgap.offset((n - 1 as i32) as isize) = if 0.0f64 + > gu - sigma - (*w.offset((n - 1 as i32) as isize) + *werr.offset((n - 1 as i32) as isize)) { 0.0f64 } else { - gu - sigma - - (*w.offset((n - 1 as i32) as isize) - + *werr.offset((n - 1 as i32) as isize)) + gu - sigma - (*w.offset((n - 1 as i32) as isize) + *werr.offset((n - 1 as i32) as isize)) }; return 0 as i32; } @@ -1077,20 +1020,14 @@ unsafe extern "C" fn _dlarrf( ktry = 0 as i32; while ktry < 2 as i32 { s = -lsigma; - *dplus - .offset( - 0 as isize, - ) = *diag.offset(0 as isize) + s; + *dplus.offset(0 as isize) = *diag.offset(0 as isize) + s; max1 = fabs(*dplus.offset(0 as isize)); i = 0 as i32; while i < n - 1 as i32 { tmp = *ld.offset(i as isize) / *dplus.offset(i as isize); *lplus.offset(i as isize) = tmp; s = s * tmp * *diag_off1.offset(i as isize) - lsigma; - *dplus - .offset( - (i + 1 as i32) as isize, - ) = *diag.offset((i + 1 as i32) as isize) + s; + *dplus.offset((i + 1 as i32) as isize) = *diag.offset((i + 1 as i32) as isize) + s; max1 = if max1 > fabs(*dplus.offset((i + 1 as i32) as isize)) { max1 } else { @@ -1185,20 +1122,15 @@ unsafe extern "C" fn _dlarrb( let mut width: f64 = 0.; let mut cvrgd: f64 = if rtol1 * *wgap.offset(ifirst as isize) > rtol2 - * (if fabs(*w.offset(ifirst as isize)) - > fabs(*w.offset((ilast - 1 as i32) as isize)) - { + * (if fabs(*w.offset(ifirst as isize)) > fabs(*w.offset((ilast - 1 as i32) as isize)) { fabs(*w.offset(ifirst as isize)) } else { fabs(*w.offset((ilast - 1 as i32) as isize)) - }) - { + }) { rtol1 * *wgap.offset(ifirst as isize) } else { rtol2 - * (if fabs(*w.offset(ifirst as isize)) - > fabs(*w.offset((ilast - 1 as i32) as isize)) - { + * (if fabs(*w.offset(ifirst as isize)) > fabs(*w.offset((ilast - 1 as i32) as isize)) { fabs(*w.offset(ifirst as isize)) } else { fabs(*w.offset((ilast - 1 as i32) as isize)) @@ -1247,18 +1179,17 @@ unsafe extern "C" fn _dlarrb( } i = ifirst; while i < ilast - 1 as i32 { - *wgap - .offset( - i as isize, - ) = if 0.0f64 + *wgap.offset(i as isize) = if 0.0f64 > *w.offset((i + 1 as i32) as isize) - - *werr.offset((i + 1 as i32) as isize) - *w.offset(i as isize) + - *werr.offset((i + 1 as i32) as isize) + - *w.offset(i as isize) - *werr.offset(i as isize) { 0.0f64 } else { *w.offset((i + 1 as i32) as isize) - - *werr.offset((i + 1 as i32) as isize) - *w.offset(i as isize) + - *werr.offset((i + 1 as i32) as isize) + - *w.offset(i as isize) - *werr.offset(i as isize) }; i += 1; @@ -1358,8 +1289,7 @@ unsafe extern "C" fn _dlar1v( let mut ztz: f64 = 1.0f64; i = *twist_index - 1 as i32; while i >= 0 as i32 { - tmp = -(*lplus.offset(i as isize) - * *vec.offset((i + 1 as i32) as isize)); + tmp = -(*lplus.offset(i as isize) * *vec.offset((i + 1 as i32) as isize)); ztz += tmp * tmp; *vec.offset(i as isize) = tmp; i -= 1; @@ -1490,8 +1420,7 @@ unsafe extern "C" fn _compute_eigenvectors( icls = 0 as i32; while icls < ncluster1 { oldfst = *old_cluster_range.offset((icls * 2 as i32) as isize); - oldlst = *old_cluster_range - .offset((icls * 2 as i32 + 1 as i32) as isize); + oldlst = *old_cluster_range.offset((icls * 2 as i32 + 1 as i32) as isize); if ndepth > 0 as i32 { i = 0 as i32; while i < n { @@ -1501,17 +1430,12 @@ unsafe extern "C" fn _compute_eigenvectors( } i = 0 as i32; while i < n - 1 as i32 { - *diag_off1 - .offset( - i as isize, - ) = *vec.offset(((oldfst + 1 as i32) * n + i) as isize); + *diag_off1.offset(i as isize) = + *vec.offset(((oldfst + 1 as i32) * n + i) as isize); i += 1; i; } - sigma = *vec - .offset( - ((oldfst + 2 as i32) * n - 1 as i32) as isize, - ); + sigma = *vec.offset(((oldfst + 2 as i32) * n - 1 as i32) as isize); } j = 0 as i32; while j < n - 1 as i32 { @@ -1526,8 +1450,7 @@ unsafe extern "C" fn _compute_eigenvectors( while newlst <= oldlst { if !(newlst < oldlst && *wgap.offset((newlst - 1 as i32) as isize) - < 0.001f64 - * fabs(*buf_w.offset((newlst - 1 as i32) as isize))) + < 0.001f64 * fabs(*buf_w.offset((newlst - 1 as i32) as isize))) { if newlst - newfst > 1 as i32 { _dlarrb( @@ -1573,11 +1496,7 @@ unsafe extern "C" fn _compute_eigenvectors( if iinfo != 0 as i32 { return -(2 as i32); } - *vec - .offset( - ((newfst + 2 as i32) * n - 1 as i32) - as isize, - ) = sigma + tau; + *vec.offset(((newfst + 2 as i32) * n - 1 as i32) as isize) = sigma + tau; k = newfst; while k < newlst { fudge = eps * 3.0f64 * fabs(*buf_w.offset(k as isize)); @@ -1587,12 +1506,9 @@ unsafe extern "C" fn _compute_eigenvectors( k += 1; k; } - *new_cluster_range - .offset((ncluster * 2 as i32) as isize) = newfst; - *new_cluster_range - .offset( - (ncluster * 2 as i32 + 1 as i32) as isize, - ) = newlst; + *new_cluster_range.offset((ncluster * 2 as i32) as isize) = newfst; + *new_cluster_range.offset((ncluster * 2 as i32 + 1 as i32) as isize) = + newlst; ncluster += 1; ncluster; } else { @@ -1716,35 +1632,34 @@ unsafe extern "C" fn _compute_eigenvectors( } *w.offset(newfst as isize) = lambda + sigma; if newfst > 0 as i32 { - *wgap - .offset( - (newfst - 1 as i32) as isize, - ) = if *wgap.offset((newfst - 1 as i32) as isize) - > *w.offset(newfst as isize) - *werr.offset(newfst as isize) + *wgap.offset((newfst - 1 as i32) as isize) = if *wgap + .offset((newfst - 1 as i32) as isize) + > *w.offset(newfst as isize) + - *werr.offset(newfst as isize) - *w.offset((newfst - 1 as i32) as isize) - *werr.offset((newfst - 1 as i32) as isize) { *wgap.offset((newfst - 1 as i32) as isize) } else { - *w.offset(newfst as isize) - *werr.offset(newfst as isize) + *w.offset(newfst as isize) + - *werr.offset(newfst as isize) - *w.offset((newfst - 1 as i32) as isize) - *werr.offset((newfst - 1 as i32) as isize) }; } if newfst < n - 1 as i32 { - *wgap - .offset( - newfst as isize, - ) = if savgap + *wgap.offset(newfst as isize) = if savgap > *w.offset((newfst + 1 as i32) as isize) - *werr.offset((newfst + 1 as i32) as isize) - - *w.offset(newfst as isize) - *werr.offset(newfst as isize) + - *w.offset(newfst as isize) + - *werr.offset(newfst as isize) { savgap } else { *w.offset((newfst + 1 as i32) as isize) - *werr.offset((newfst + 1 as i32) as isize) - - *w.offset(newfst as isize) - *werr.offset(newfst as isize) + - *w.offset(newfst as isize) + - *werr.offset(newfst as isize) }; } idone += 1; @@ -1850,13 +1765,13 @@ pub unsafe extern "C" fn _CINTdiagonalize( mut vec: *mut f64, ) -> i32 { if n == 0 as i32 { - return 0 as i32 + return 0 as i32; } else if n == 1 as i32 { *eig.offset(0 as isize) = *diag.offset(0 as isize); *vec.offset(0 as isize) = 1.0f64; return 0 as i32; } else if n == 2 as i32 { - return _dlaev2(eig, vec, diag, diag_off1) + return _dlaev2(eig, vec, diag, diag_off1); } let mut iwork: [i32; 160] = [0; 160]; let mut work: [f64; 289] = [0.; 289]; diff --git a/src/fblas.rs b/src/fblas.rs index 542929f..514d1fc 100644 --- a/src/fblas.rs +++ b/src/fblas.rs @@ -1,4 +1,12 @@ -#![allow(dead_code, mutable_transmutes, non_camel_case_types, non_snake_case, non_upper_case_globals, unused_assignments, unused_mut)] +#![allow( + dead_code, + mutable_transmutes, + non_camel_case_types, + non_snake_case, + non_upper_case_globals, + unused_assignments, + unused_mut +)] #[no_mangle] pub unsafe extern "C" fn CINTdset0(mut n: i32, mut x: *mut f64) { let mut i: i32 = 0; @@ -27,12 +35,7 @@ pub unsafe extern "C" fn CINTdaxpy2v( } #[no_mangle] #[inline(never)] -pub unsafe extern "C" fn CINTdmat_transpose( - a_t: *mut f64, - a: *const f64, - m: i32, - n: i32, -) { +pub unsafe extern "C" fn CINTdmat_transpose(a_t: *mut f64, a: *const f64, m: i32, n: i32) { let mut i: i32 = 0; let mut j: i32 = 0; let _k: i32 = 0; @@ -40,22 +43,13 @@ pub unsafe extern "C" fn CINTdmat_transpose( while j < n - 3 as i32 { i = 0; while i < m { - *a_t - .offset( - ((j + 0) * m + i) as isize, - ) = *a.offset((i * n + j + 0) as isize); - *a_t - .offset( - ((j + 1 as i32) * m + i) as isize, - ) = *a.offset((i * n + j + 1 as i32) as isize); - *a_t - .offset( - ((j + 2 as i32) * m + i) as isize, - ) = *a.offset((i * n + j + 2 as i32) as isize); - *a_t - .offset( - ((j + 3 as i32) * m + i) as isize, - ) = *a.offset((i * n + j + 3 as i32) as isize); + *a_t.offset(((j + 0) * m + i) as isize) = *a.offset((i * n + j + 0) as isize); + *a_t.offset(((j + 1 as i32) * m + i) as isize) = + *a.offset((i * n + j + 1 as i32) as isize); + *a_t.offset(((j + 2 as i32) * m + i) as isize) = + *a.offset((i * n + j + 2 as i32) as isize); + *a_t.offset(((j + 3 as i32) * m + i) as isize) = + *a.offset((i * n + j + 3 as i32) as isize); i += 1; i; } @@ -73,14 +67,9 @@ pub unsafe extern "C" fn CINTdmat_transpose( 2 => { i = 0; while i < m { - *a_t - .offset( - ((j + 0) * m + i) as isize, - ) = *a.offset((i * n + j + 0) as isize); - *a_t - .offset( - ((j + 1 as i32) * m + i) as isize, - ) = *a.offset((i * n + j + 1 as i32) as isize); + *a_t.offset(((j + 0) * m + i) as isize) = *a.offset((i * n + j + 0) as isize); + *a_t.offset(((j + 1 as i32) * m + i) as isize) = + *a.offset((i * n + j + 1 as i32) as isize); i += 1; i; } @@ -88,18 +77,11 @@ pub unsafe extern "C" fn CINTdmat_transpose( 3 => { i = 0; while i < m { - *a_t - .offset( - ((j + 0) * m + i) as isize, - ) = *a.offset((i * n + j + 0) as isize); - *a_t - .offset( - ((j + 1 as i32) * m + i) as isize, - ) = *a.offset((i * n + j + 1 as i32) as isize); - *a_t - .offset( - ((j + 2 as i32) * m + i) as isize, - ) = *a.offset((i * n + j + 2 as i32) as isize); + *a_t.offset(((j + 0) * m + i) as isize) = *a.offset((i * n + j + 0) as isize); + *a_t.offset(((j + 1 as i32) * m + i) as isize) = + *a.offset((i * n + j + 1 as i32) as isize); + *a_t.offset(((j + 2 as i32) * m + i) as isize) = + *a.offset((i * n + j + 2 as i32) as isize); i += 1; i; } @@ -121,14 +103,13 @@ pub unsafe extern "C" fn CINTdplus_transpose( while j < n - 3 as i32 { i = 0; while i < m { - *a_t.offset(((j + 0) * m + i) as isize) - += *a.offset((i * n + j + 0) as isize); - *a_t.offset(((j + 1 as i32) * m + i) as isize) - += *a.offset((i * n + j + 1 as i32) as isize); - *a_t.offset(((j + 2 as i32) * m + i) as isize) - += *a.offset((i * n + j + 2 as i32) as isize); - *a_t.offset(((j + 3 as i32) * m + i) as isize) - += *a.offset((i * n + j + 3 as i32) as isize); + *a_t.offset(((j + 0) * m + i) as isize) += *a.offset((i * n + j + 0) as isize); + *a_t.offset(((j + 1 as i32) * m + i) as isize) += + *a.offset((i * n + j + 1 as i32) as isize); + *a_t.offset(((j + 2 as i32) * m + i) as isize) += + *a.offset((i * n + j + 2 as i32) as isize); + *a_t.offset(((j + 3 as i32) * m + i) as isize) += + *a.offset((i * n + j + 3 as i32) as isize); i += 1; i; } @@ -146,10 +127,9 @@ pub unsafe extern "C" fn CINTdplus_transpose( 2 => { i = 0; while i < m { - *a_t.offset(((j + 0) * m + i) as isize) - += *a.offset((i * n + j + 0) as isize); - *a_t.offset(((j + 1 as i32) * m + i) as isize) - += *a.offset((i * n + j + 1 as i32) as isize); + *a_t.offset(((j + 0) * m + i) as isize) += *a.offset((i * n + j + 0) as isize); + *a_t.offset(((j + 1 as i32) * m + i) as isize) += + *a.offset((i * n + j + 1 as i32) as isize); i += 1; i; } @@ -157,12 +137,11 @@ pub unsafe extern "C" fn CINTdplus_transpose( 3 => { i = 0; while i < m { - *a_t.offset(((j + 0) * m + i) as isize) - += *a.offset((i * n + j + 0) as isize); - *a_t.offset(((j + 1 as i32) * m + i) as isize) - += *a.offset((i * n + j + 1 as i32) as isize); - *a_t.offset(((j + 2 as i32) * m + i) as isize) - += *a.offset((i * n + j + 2 as i32) as isize); + *a_t.offset(((j + 0) * m + i) as isize) += *a.offset((i * n + j + 0) as isize); + *a_t.offset(((j + 1 as i32) * m + i) as isize) += + *a.offset((i * n + j + 1 as i32) as isize); + *a_t.offset(((j + 2 as i32) * m + i) as isize) += + *a.offset((i * n + j + 2 as i32) as isize); i += 1; i; } @@ -197,8 +176,7 @@ pub unsafe extern "C" fn CINTdgemm_NN1( bi = *b.offset((kp + k * j) as isize); i = 0; while i < m { - *c.offset((i + ldc * j) as isize) - += *a.offset((i + m * kp) as isize) * bi; + *c.offset((i + ldc * j) as isize) += *a.offset((i + m * kp) as isize) * bi; i += 1; i; } @@ -240,9 +218,7 @@ pub unsafe extern "C" fn CINTdgemm_TN( ci = 0 as f64; kp = 0; while kp < k { - ci - += *a.offset((kp + k * i) as isize) - * *b.offset((kp + k * j) as isize); + ci += *a.offset((kp + k * i) as isize) * *b.offset((kp + k * j) as isize); kp += 1; kp; } diff --git a/src/find_roots.rs b/src/find_roots.rs index 4c5dd67..6eed102 100644 --- a/src/find_roots.rs +++ b/src/find_roots.rs @@ -1,10 +1,14 @@ -#![allow(dead_code, mutable_transmutes, non_camel_case_types, non_snake_case, non_upper_case_globals, unused_assignments, unused_mut)] +#![allow( + dead_code, + mutable_transmutes, + non_camel_case_types, + non_snake_case, + non_upper_case_globals, + unused_assignments, + unused_mut +)] -unsafe extern "C" fn R_dnode( - mut a: *mut f64, - mut roots: *mut f64, - mut order: i32, -) -> i32 { +unsafe extern "C" fn R_dnode(mut a: *mut f64, mut roots: *mut f64, mut order: i32) -> i32 { let accrt: f64 = 1e-15f64; let mut x0: f64 = 0.; let mut x1: f64 = 0.; @@ -33,7 +37,10 @@ unsafe extern "C" fn R_dnode( } if !(p1init == 0 as f64) { if p0 * p1init > 0 as f64 { - eprintln!("ROOT NUMBER {} WAS NOT FOUND FOR POLYNOMIAL OF ORDER {}", m, order); + eprintln!( + "ROOT NUMBER {} WAS NOT FOUND FOR POLYNOMIAL OF ORDER {}", + m, order + ); return 1 as i32; } if x0 <= x1init { @@ -140,7 +147,11 @@ unsafe extern "C" fn _qr_step( k += 1; k; } - m3 = if n1 < n0 + 3 as i32 { n1 } else { n0 + 3 as i32 }; + m3 = if n1 < n0 + 3 as i32 { + n1 + } else { + n0 + 3 as i32 + }; k = 0 as i32; while k < m3 { x = *A.offset((k * nroots + n0) as isize); @@ -190,10 +201,7 @@ unsafe extern "C" fn _qr_step( j; } } -unsafe extern "C" fn _hessenberg_qr( - mut A: *mut f64, - mut nroots: i32, -) -> i32 { +unsafe extern "C" fn _hessenberg_qr(mut A: *mut f64, mut nroots: i32) -> i32 { let mut eps: f64 = 1e-15f64; let mut maxits: i32 = 30 as i32; let mut n0: i32 = 0 as i32; @@ -207,15 +215,8 @@ unsafe extern "C" fn _hessenberg_qr( k = n0; while (k + 1 as i32) < n1 { let mut s: f64 = (*A.offset((k * nroots + k) as isize)).abs() - + ( - *A - .offset( - ((k + 1 as i32) * nroots + k + 1 as i32) - as isize, - ) - ).abs(); - if (*A.offset(((k + 1 as i32) * nroots + k) as isize)).abs() < eps * s - { + + (*A.offset(((k + 1 as i32) * nroots + k + 1 as i32) as isize)).abs(); + if (*A.offset(((k + 1 as i32) * nroots + k) as isize)).abs() < eps * s { break; } k += 1 as i32; @@ -240,10 +241,9 @@ unsafe extern "C" fn _hessenberg_qr( let mut shift: f64 = 0.; let mut t: f64 = a11 + a22; let mut s_0: f64 = (a11 - a22) * (a11 - a22); - s_0 - += 4 as f64 - * *A.offset((m1 * nroots + m2) as isize) - * *A.offset((m2 * nroots + m1) as isize); + s_0 += 4 as f64 + * *A.offset((m1 * nroots + m2) as isize) + * *A.offset((m2 * nroots + m1) as isize); if s_0 > 0 as f64 { s_0 = (s_0).sqrt(); let mut a: f64 = (t + s_0) * 0.5f64; @@ -280,62 +280,30 @@ pub unsafe extern "C" fn _CINT_polynomial_roots( mut nroots: i32, ) -> i32 { if nroots == 1 as i32 { - *roots - .offset( - 0 as isize, - ) = -*cs.offset(2 as isize) - / *cs.offset(3 as isize); + *roots.offset(0 as isize) = -*cs.offset(2 as isize) / *cs.offset(3 as isize); return 0 as i32; } else if nroots == 2 as i32 { - let mut dum: f64 = ( - *cs.offset((2 as i32 * 3 as i32 + 1 as i32) as isize) - * *cs - .offset( - (2 as i32 * 3 as i32 + 1 as i32) as isize, - ) - - 4 as f64 - * *cs - .offset( - (2 as i32 * 3 as i32 + 0 as i32) - as isize, - ) - * *cs - .offset( - (2 as i32 * 3 as i32 + 2 as i32) - as isize, - ) - ).sqrt(); - *roots - .offset( - 0 as isize, - ) = (-*cs - .offset((2 as i32 * 3 as i32 + 1 as i32) as isize) - - dum) - / *cs - .offset( - (2 as i32 * 3 as i32 + 2 as i32) as isize, - ) / 2 as f64; - *roots - .offset( - 1 as isize, - ) = (-*cs - .offset((2 as i32 * 3 as i32 + 1 as i32) as isize) - + dum) - / *cs - .offset( - (2 as i32 * 3 as i32 + 2 as i32) as isize, - ) / 2 as f64; + let mut dum: f64 = (*cs.offset((2 as i32 * 3 as i32 + 1 as i32) as isize) + * *cs.offset((2 as i32 * 3 as i32 + 1 as i32) as isize) + - 4 as f64 + * *cs.offset((2 as i32 * 3 as i32 + 0 as i32) as isize) + * *cs.offset((2 as i32 * 3 as i32 + 2 as i32) as isize)) + .sqrt(); + *roots.offset(0 as isize) = (-*cs.offset((2 as i32 * 3 as i32 + 1 as i32) as isize) - dum) + / *cs.offset((2 as i32 * 3 as i32 + 2 as i32) as isize) + / 2 as f64; + *roots.offset(1 as isize) = (-*cs.offset((2 as i32 * 3 as i32 + 1 as i32) as isize) + dum) + / *cs.offset((2 as i32 * 3 as i32 + 2 as i32) as isize) + / 2 as f64; return 0 as i32; } let mut A: [f64; 1024] = [0.; 1024]; let mut nroots1: i32 = nroots + 1 as i32; let mut i: i32 = 0; - let mut fac: f64 = -1.0f64 - / *cs.offset((nroots * nroots1 + nroots) as isize); + let mut fac: f64 = -1.0f64 / *cs.offset((nroots * nroots1 + nroots) as isize); i = 0 as i32; while i < nroots { - A[(nroots - 1 as i32 - i) - as usize] = *cs.offset((nroots * nroots1 + i) as isize) * fac; + A[(nroots - 1 as i32 - i) as usize] = *cs.offset((nroots * nroots1 + i) as isize) * fac; i += 1; i; } @@ -355,10 +323,7 @@ pub unsafe extern "C" fn _CINT_polynomial_roots( if err == 0 as i32 { i = 0 as i32; while i < nroots { - *roots - .offset( - (nroots - 1 as i32 - i) as isize, - ) = A[(i * nroots + i) as usize]; + *roots.offset((nroots - 1 as i32 - i) as isize) = A[(i * nroots + i) as usize]; i += 1; i; } @@ -366,28 +331,17 @@ pub unsafe extern "C" fn _CINT_polynomial_roots( let mut k: i32 = 0; let mut order: i32 = 0; let mut a: *mut f64 = 0 as *mut f64; - let mut dum_0: f64 = ( - *cs.offset((2 as i32 * nroots1 + 1 as i32) as isize) - * *cs.offset((2 as i32 * nroots1 + 1 as i32) as isize) - - 4 as f64 - * *cs - .offset((2 as i32 * nroots1 + 0 as i32) as isize) - * *cs - .offset((2 as i32 * nroots1 + 2 as i32) as isize) - ).sqrt(); - *roots - .offset( - 0 as isize, - ) = 0.5f64 - * (-*cs.offset((2 as i32 * nroots1 + 1 as i32) as isize) - - dum_0) + let mut dum_0: f64 = (*cs.offset((2 as i32 * nroots1 + 1 as i32) as isize) + * *cs.offset((2 as i32 * nroots1 + 1 as i32) as isize) + - 4 as f64 + * *cs.offset((2 as i32 * nroots1 + 0 as i32) as isize) + * *cs.offset((2 as i32 * nroots1 + 2 as i32) as isize)) + .sqrt(); + *roots.offset(0 as isize) = 0.5f64 + * (-*cs.offset((2 as i32 * nroots1 + 1 as i32) as isize) - dum_0) / *cs.offset((2 as i32 * nroots1 + 2 as i32) as isize); - *roots - .offset( - 1 as isize, - ) = 0.5f64 - * (-*cs.offset((2 as i32 * nroots1 + 1 as i32) as isize) - + dum_0) + *roots.offset(1 as isize) = 0.5f64 + * (-*cs.offset((2 as i32 * nroots1 + 1 as i32) as isize) + dum_0) / *cs.offset((2 as i32 * nroots1 + 2 as i32) as isize); i = 2 as i32; while i < nroots { diff --git a/src/fmt.rs b/src/fmt.rs index caa5593..26281dd 100644 --- a/src/fmt.rs +++ b/src/fmt.rs @@ -1,4 +1,12 @@ -#![allow(dead_code, mutable_transmutes, non_camel_case_types, non_snake_case, non_upper_case_globals, unused_assignments, unused_mut)] +#![allow( + dead_code, + mutable_transmutes, + non_camel_case_types, + non_snake_case, + non_upper_case_globals, + unused_assignments, + unused_mut +)] extern "C" { fn expl(_: f64) -> f64; fn exp(_: f64) -> f64; @@ -53,11 +61,7 @@ static mut TURNOVER_POINT: [f64; 40] = [ 14.56467047710f64, 14.93687515212f64, ]; -unsafe extern "C" fn fmt1_gamma_inc_like( - mut f: *mut f64, - mut t: f64, - mut m: i32, -) { +unsafe extern "C" fn fmt1_gamma_inc_like(mut f: *mut f64, mut t: f64, mut m: i32) { let mut i: i32 = 0; let mut b: f64 = m as f64 + 0.5f64; let mut bi: f64 = 0.; @@ -81,43 +85,28 @@ unsafe extern "C" fn fmt1_gamma_inc_like( } } #[no_mangle] -pub unsafe extern "C" fn gamma_inc_like( - mut f: *mut f64, - mut t: f64, - mut m: i32, -) { +pub unsafe extern "C" fn gamma_inc_like(mut f: *mut f64, mut t: f64, mut m: i32) { if t < TURNOVER_POINT[m as usize] { fmt1_gamma_inc_like(f, t, m); } else { let mut i: i32 = 0; let mut tt: f64 = sqrt(t); - *f - .offset( - 0 as isize, - ) = 0.8862269254527580136490837416705725913987747280611935641069038949264f64 - / tt * erf(tt); + *f.offset(0 as isize) = + 0.8862269254527580136490837416705725913987747280611935641069038949264f64 / tt * erf(tt); if m > 0 as i32 { let mut e: f64 = exp(-t); let mut b: f64 = 0.5f64 / t; i = 1 as i32; while i <= m { - *f - .offset( - i as isize, - ) = b - * ((2 as i32 * i - 1 as i32) as f64 - * *f.offset((i - 1 as i32) as isize) - e); + *f.offset(i as isize) = + b * ((2 as i32 * i - 1 as i32) as f64 * *f.offset((i - 1 as i32) as isize) - e); i += 1; i; } } }; } -unsafe extern "C" fn fmt1_lgamma_inc_like( - mut f: *mut f64, - mut t: f64, - mut m: i32, -) { +unsafe extern "C" fn fmt1_lgamma_inc_like(mut f: *mut f64, mut t: f64, mut m: i32) { let mut b: f64 = m as f64 + 0.5f64; let mut bi: f64 = 0.0f64; let mut e: f64 = 0.5f64 * expl(-t); @@ -141,33 +130,21 @@ unsafe extern "C" fn fmt1_lgamma_inc_like( } } #[no_mangle] -pub unsafe extern "C" fn lgamma_inc_like( - mut f: *mut f64, - mut t: f64, - mut m: i32, -) { +pub unsafe extern "C" fn lgamma_inc_like(mut f: *mut f64, mut t: f64, mut m: i32) { if t < TURNOVER_POINT[m as usize] { fmt1_lgamma_inc_like(f, t, m); } else { let mut i: i32 = 0; let mut tt: f64 = sqrtl(t); - *f - .offset( - 0 as isize, - ) = - 0.8862269254527580136490837416705725913987747280611935641069038949264 - / tt * erfl(tt); + *f.offset(0 as isize) = + 0.8862269254527580136490837416705725913987747280611935641069038949264 / tt * erfl(tt); if m > 0 as i32 { let mut e: f64 = expl(-t); let mut b: f64 = 0.5f64 / t; i = 1 as i32; while i <= m { - *f - .offset( - i as isize, - ) = b - * ((2 as i32 * i - 1 as i32) as f64 - * *f.offset((i - 1 as i32) as isize) - e); + *f.offset(i as isize) = + b * ((2 as i32 * i - 1 as i32) as f64 * *f.offset((i - 1 as i32) as isize) - e); i += 1; i; } @@ -175,10 +152,7 @@ pub unsafe extern "C" fn lgamma_inc_like( }; } #[inline] -unsafe extern "C" fn _pow( - mut base: f64, - mut exponent: i32, -) -> f64 { +unsafe extern "C" fn _pow(mut base: f64, mut exponent: i32) -> f64 { let mut i: i32 = 0; let mut result: f64 = 1 as f64; i = 1 as i32; @@ -192,10 +166,7 @@ unsafe extern "C" fn _pow( return result; } #[inline] -unsafe extern "C" fn _powl( - mut base: f64, - mut exponent: i32, -) -> f64 { +unsafe extern "C" fn _powl(mut base: f64, mut exponent: i32) -> f64 { let mut i: i32 = 0; let mut result: f64 = 1.0f64; i = 1 as i32; @@ -209,12 +180,7 @@ unsafe extern "C" fn _powl( return result; } #[no_mangle] -pub unsafe extern "C" fn fmt1_erfc_like( - mut f: *mut f64, - mut t: f64, - mut lower: f64, - mut m: i32, -) { +pub unsafe extern "C" fn fmt1_erfc_like(mut f: *mut f64, mut t: f64, mut lower: f64, mut m: i32) { let mut i: i32 = 0; let mut lower2: f64 = lower * lower; let mut b: f64 = m as f64 + 0.5f64; @@ -249,12 +215,7 @@ pub unsafe extern "C" fn fmt1_erfc_like( } } #[no_mangle] -pub unsafe extern "C" fn fmt_erfc_like( - mut f: *mut f64, - mut t: f64, - mut lower: f64, - mut m: i32, -) { +pub unsafe extern "C" fn fmt_erfc_like(mut f: *mut f64, mut t: f64, mut lower: f64, mut m: i32) { if lower == 0 as f64 { return gamma_inc_like(f, t, m); } @@ -274,7 +235,8 @@ pub unsafe extern "C" fn fmt_erfc_like( } else { let mut tt: f64 = sqrt(t); let mut val: f64 = 0.8862269254527580136490837416705725913987747280611935641069038949264f64 - / tt * (erfc(lower * tt) - erfc(tt)); + / tt + * (erfc(lower * tt) - erfc(tt)); *f.offset(0 as isize) = val; if m > 0 as i32 { let mut e: f64 = exp(-t); @@ -282,9 +244,7 @@ pub unsafe extern "C" fn fmt_erfc_like( let mut b: f64 = 0.5f64 / t; i = 0 as i32; while i < m { - val = b - * ((2 as i32 * i + 1 as i32) as f64 * val - - e + e1); + val = b * ((2 as i32 * i + 1 as i32) as f64 * val - e + e1); e1 *= lower2; *f.offset((i + 1 as i32) as isize) = val; i += 1; @@ -294,12 +254,7 @@ pub unsafe extern "C" fn fmt_erfc_like( }; } #[no_mangle] -pub unsafe extern "C" fn fmt_lerfc_like( - mut f: *mut f64, - mut t: f64, - mut lower: f64, - mut m: i32, -) { +pub unsafe extern "C" fn fmt_lerfc_like(mut f: *mut f64, mut t: f64, mut lower: f64, mut m: i32) { if lower == 0.0f64 { return lgamma_inc_like(f, t, m); } @@ -318,9 +273,9 @@ pub unsafe extern "C" fn fmt_lerfc_like( fmt1_lerfc_like(f, t, lower, m); } else { let mut tt: f64 = sqrtl(t); - let mut val: f64 = - 0.8862269254527580136490837416705725913987747280611935641069038949264 - / tt * (erfcl(lower * tt) - erfcl(tt)); + let mut val: f64 = 0.8862269254527580136490837416705725913987747280611935641069038949264 + / tt + * (erfcl(lower * tt) - erfcl(tt)); *f.offset(0 as isize) = val; if m > 0 as i32 { let mut e: f64 = expl(-t); @@ -328,9 +283,7 @@ pub unsafe extern "C" fn fmt_lerfc_like( let mut b: f64 = 0.5f64 / t; i = 0 as i32; while i < m { - val = b - * ((2 as i32 * i + 1 as i32) as f64 * val - e - + e1); + val = b * ((2 as i32 * i + 1 as i32) as f64 * val - e + e1); e1 *= lower2; *f.offset((i + 1 as i32) as isize) = val; i += 1; @@ -340,12 +293,7 @@ pub unsafe extern "C" fn fmt_lerfc_like( }; } #[no_mangle] -pub unsafe extern "C" fn fmt1_lerfc_like( - mut f: *mut f64, - mut t: f64, - mut lower: f64, - mut m: i32, -) { +pub unsafe extern "C" fn fmt1_lerfc_like(mut f: *mut f64, mut t: f64, mut lower: f64, mut m: i32) { let mut i: i32 = 0; let mut lower2: f64 = lower * lower; let mut b: f64 = m as f64 + 0.5f64; diff --git a/src/g1e.rs b/src/g1e.rs index 040d40b..8fb07b5 100644 --- a/src/g1e.rs +++ b/src/g1e.rs @@ -1,7 +1,15 @@ -#![allow(dead_code, mutable_transmutes, non_camel_case_types, non_snake_case, non_upper_case_globals, unused_assignments, unused_mut)] +#![allow( + dead_code, + mutable_transmutes, + non_camel_case_types, + non_snake_case, + non_upper_case_globals, + unused_assignments, + unused_mut +)] -use crate::rys_roots::CINTrys_roots; use crate::cint_bas::CINTcart_comp; +use crate::rys_roots::CINTrys_roots; use crate::cint::CINTEnvVars; @@ -14,15 +22,13 @@ fn MAX(x: T, y: T) -> T { } fn SQUARE(r: *const f64) -> f64 { - unsafe { - (*r.add(0) * *r.add(0)) + (*r.add(1) * *r.add(1)) + (*r.add(2) * *r.add(2)) - } + unsafe { (*r.add(0) * *r.add(0)) + (*r.add(1) * *r.add(1)) + (*r.add(2) * *r.add(2)) } } #[no_mangle] pub unsafe fn CINTinit_int1e_EnvVars( envs: *mut CINTEnvVars, - ng: &[i32;8], + ng: &[i32; 8], shls: *mut i32, atm: *mut i32, natm: i32, @@ -40,62 +46,34 @@ pub unsafe fn CINTinit_int1e_EnvVars( let j_sh: i32 = *shls.offset(1); (*envs).i_l = *bas.offset((8 * i_sh + 1 as i32) as isize); (*envs).j_l = *bas.offset((8 * j_sh + 1 as i32) as isize); - (*envs) - .x_ctr[0 as i32 - as usize] = *bas.offset((8 * i_sh + 3 as i32) as isize); - (*envs) - .x_ctr[1 as i32 - as usize] = *bas.offset((8 * j_sh + 3 as i32) as isize); - (*envs) - .nfi = ((*envs).i_l + 1 as i32) * ((*envs).i_l + 2 as i32) - / 2 as i32; - (*envs) - .nfj = ((*envs).j_l + 1 as i32) * ((*envs).j_l + 2 as i32) - / 2 as i32; + (*envs).x_ctr[0 as i32 as usize] = *bas.offset((8 * i_sh + 3 as i32) as isize); + (*envs).x_ctr[1 as i32 as usize] = *bas.offset((8 * j_sh + 3 as i32) as isize); + (*envs).nfi = ((*envs).i_l + 1 as i32) * ((*envs).i_l + 2 as i32) / 2 as i32; + (*envs).nfj = ((*envs).j_l + 1 as i32) * ((*envs).j_l + 2 as i32) / 2 as i32; (*envs).nf = (*envs).nfi * (*envs).nfj; (*envs).common_factor = 1 as f64; if *env.offset(0) == 0 as f64 { (*envs).expcutoff = 60 as f64; } else { - (*envs) - .expcutoff = MAX(40 as f64, *env.offset(0)) - as f64; + (*envs).expcutoff = MAX(40 as f64, *env.offset(0)) as f64; } (*envs).li_ceil = (*envs).i_l + ng[0]; (*envs).lj_ceil = (*envs).j_l + ng[1]; - (*envs) - .ri = env - .offset( - *atm - .offset( - (6 as i32 - * *bas - .offset( - (8 * i_sh + 0 as i32) as isize, - ) + 1 as i32) as isize, - ) as isize, - ); - (*envs) - .rj = env - .offset( - *atm - .offset( - (6 as i32 - * *bas - .offset( - (8 * j_sh + 0 as i32) as isize, - ) + 1 as i32) as isize, - ) as isize, - ); + (*envs).ri = env.offset( + *atm.offset((6 as i32 * *bas.offset((8 * i_sh + 0 as i32) as isize) + 1 as i32) as isize) + as isize, + ); + (*envs).rj = env.offset( + *atm.offset((6 as i32 * *bas.offset((8 * j_sh + 0 as i32) as isize) + 1 as i32) as isize) + as isize, + ); (*envs).gbits = ng[4]; (*envs).ncomp_e1 = ng[5]; (*envs).ncomp_tensor = ng[7]; if ng[6] > 0 as i32 { (*envs).nrys_roots = ng[6]; } else { - (*envs) - .nrys_roots = ((*envs).li_ceil + (*envs).lj_ceil) / 2 as i32 - + 1 as i32; + (*envs).nrys_roots = ((*envs).li_ceil + (*envs).lj_ceil) / 2 as i32 + 1 as i32; } let mut dli: i32 = 0; let mut dlj: i32 = 0; @@ -103,33 +81,15 @@ pub unsafe fn CINTinit_int1e_EnvVars( if ibase != 0 { dli = (*envs).li_ceil + (*envs).lj_ceil + 1 as i32; dlj = (*envs).lj_ceil + 1 as i32; - (*envs) - .rirj[0 as i32 - as usize] = *((*envs).ri).offset(0) - - *((*envs).rj).offset(0); - (*envs) - .rirj[1 as i32 - as usize] = *((*envs).ri).offset(1) - - *((*envs).rj).offset(1); - (*envs) - .rirj[2 as i32 - as usize] = *((*envs).ri).offset(2) - - *((*envs).rj).offset(2); + (*envs).rirj[0 as i32 as usize] = *((*envs).ri).offset(0) - *((*envs).rj).offset(0); + (*envs).rirj[1 as i32 as usize] = *((*envs).ri).offset(1) - *((*envs).rj).offset(1); + (*envs).rirj[2 as i32 as usize] = *((*envs).ri).offset(2) - *((*envs).rj).offset(2); } else { dli = (*envs).li_ceil + 1 as i32; dlj = (*envs).li_ceil + (*envs).lj_ceil + 1 as i32; - (*envs) - .rirj[0 as i32 - as usize] = *((*envs).rj).offset(0) - - *((*envs).ri).offset(0); - (*envs) - .rirj[1 as i32 - as usize] = *((*envs).rj).offset(1) - - *((*envs).ri).offset(1); - (*envs) - .rirj[2 as i32 - as usize] = *((*envs).rj).offset(2) - - *((*envs).ri).offset(2); + (*envs).rirj[0 as i32 as usize] = *((*envs).rj).offset(0) - *((*envs).ri).offset(0); + (*envs).rirj[1 as i32 as usize] = *((*envs).rj).offset(1) - *((*envs).ri).offset(1); + (*envs).rirj[2 as i32 as usize] = *((*envs).rj).offset(2) - *((*envs).ri).offset(2); } (*envs).g_stride_i = (*envs).nrys_roots; (*envs).g_stride_j = (*envs).nrys_roots * dli; @@ -138,10 +98,7 @@ pub unsafe fn CINTinit_int1e_EnvVars( (*envs).g_stride_l = (*envs).g_size; } #[no_mangle] -pub unsafe fn CINTg1e_index_xyz( - idx: *mut i32, - envs: &CINTEnvVars, -) { +pub unsafe fn CINTg1e_index_xyz(idx: *mut i32, envs: &CINTEnvVars) { let i_l: i32 = envs.i_l; let j_l: i32 = envs.j_l; let nfi: i32 = envs.nfi; @@ -183,23 +140,16 @@ pub unsafe fn CINTg1e_index_xyz( } } #[no_mangle] -pub unsafe fn CINTg1e_ovlp( - mut g: *mut f64, - envs: &CINTEnvVars, -) -> i32 { +pub unsafe fn CINTg1e_ovlp(mut g: *mut f64, envs: &CINTEnvVars) -> i32 { let mut gx: *mut f64 = g; let mut gy: *mut f64 = g.offset((*envs).g_size as isize); - let mut gz: *mut f64 = g - .offset(((*envs).g_size * 2 as i32) as isize); - let mut aij: f64 = (*envs).ai[0 as usize] - + (*envs).aj[0 as usize]; + let mut gz: *mut f64 = g.offset(((*envs).g_size * 2 as i32) as isize); + let mut aij: f64 = (*envs).ai[0 as usize] + (*envs).aj[0 as usize]; *gx.offset(0) = 1 as f64; *gy.offset(0) = 1 as f64; - *gz - .offset( - 0, - ) = (*envs).fac[0 as usize] - * 1.7724538509055160272981674833411451f64 * 3.14159265358979323846f64 + *gz.offset(0) = (*envs).fac[0 as usize] + * 1.7724538509055160272981674833411451f64 + * 3.14159265358979323846f64 / (aij * (aij).sqrt()); let mut nmax: i32 = (*envs).li_ceil + (*envs).lj_ceil; if nmax == 0 as i32 { @@ -227,48 +177,24 @@ pub unsafe fn CINTg1e_ovlp( rx = (*envs).rj; } let mut rijrx: [f64; 3] = [0.; 3]; - rijrx[0 as i32 - as usize] = *rij.offset(0) - - *rx.offset(0); - rijrx[1 as i32 - as usize] = *rij.offset(1) - - *rx.offset(1); - rijrx[2 as i32 - as usize] = *rij.offset(2) - - *rx.offset(2); - *gx - .offset( - di as isize, - ) = rijrx[0 as usize] * *gx.offset(0); - *gy - .offset( - di as isize, - ) = rijrx[1 as usize] * *gy.offset(0); - *gz - .offset( - di as isize, - ) = rijrx[2 as usize] * *gz.offset(0); + rijrx[0 as i32 as usize] = *rij.offset(0) - *rx.offset(0); + rijrx[1 as i32 as usize] = *rij.offset(1) - *rx.offset(1); + rijrx[2 as i32 as usize] = *rij.offset(2) - *rx.offset(2); + *gx.offset(di as isize) = rijrx[0 as usize] * *gx.offset(0); + *gy.offset(di as isize) = rijrx[1 as usize] * *gy.offset(0); + *gz.offset(di as isize) = rijrx[2 as usize] * *gz.offset(0); let mut aij2: f64 = 0.5f64 / aij; i = 1 as i32; while i < nmax { - *gx - .offset( - ((i + 1 as i32) * di) as isize, - ) = i as f64 * aij2 - * *gx.offset(((i - 1 as i32) * di) as isize) - + rijrx[0 as usize] * *gx.offset((i * di) as isize); - *gy - .offset( - ((i + 1 as i32) * di) as isize, - ) = i as f64 * aij2 - * *gy.offset(((i - 1 as i32) * di) as isize) - + rijrx[1 as usize] * *gy.offset((i * di) as isize); - *gz - .offset( - ((i + 1 as i32) * di) as isize, - ) = i as f64 * aij2 - * *gz.offset(((i - 1 as i32) * di) as isize) - + rijrx[2 as usize] * *gz.offset((i * di) as isize); + *gx.offset(((i + 1 as i32) * di) as isize) = + i as f64 * aij2 * *gx.offset(((i - 1 as i32) * di) as isize) + + rijrx[0 as usize] * *gx.offset((i * di) as isize); + *gy.offset(((i + 1 as i32) * di) as isize) = + i as f64 * aij2 * *gy.offset(((i - 1 as i32) * di) as isize) + + rijrx[1 as usize] * *gy.offset((i * di) as isize); + *gz.offset(((i + 1 as i32) * di) as isize) = + i as f64 * aij2 * *gz.offset(((i - 1 as i32) * di) as isize) + + rijrx[2 as usize] * *gz.offset((i * di) as isize); i += 1; i; } @@ -278,24 +204,12 @@ pub unsafe fn CINTg1e_ovlp( i = 0 as i32; n = ptr; while i <= nmax - j { - *gx - .offset( - n as isize, - ) = *gx.offset((n + di - dj) as isize) - + *rirj.offset(0) - * *gx.offset((n - dj) as isize); - *gy - .offset( - n as isize, - ) = *gy.offset((n + di - dj) as isize) - + *rirj.offset(1) - * *gy.offset((n - dj) as isize); - *gz - .offset( - n as isize, - ) = *gz.offset((n + di - dj) as isize) - + *rirj.offset(2) - * *gz.offset((n - dj) as isize); + *gx.offset(n as isize) = *gx.offset((n + di - dj) as isize) + + *rirj.offset(0) * *gx.offset((n - dj) as isize); + *gy.offset(n as isize) = *gy.offset((n + di - dj) as isize) + + *rirj.offset(1) * *gy.offset((n - dj) as isize); + *gz.offset(n as isize) = *gz.offset((n + di - dj) as isize) + + *rirj.offset(2) * *gz.offset((n - dj) as isize); i += 1; i; n += di; @@ -315,37 +229,26 @@ pub unsafe extern "C" fn CINTnuc_mod( let mut zeta: f64 = 0.; if nuc_id < 0 as i32 { zeta = *env.offset(7 as isize); - } else if *atm.offset((6 as i32 * nuc_id + 2 as i32) as isize) - == 2 as i32 - { - zeta = *env - .offset( - *atm.offset((6 as i32 * nuc_id + 3 as i32) as isize) - as isize, - ); + } else if *atm.offset((6 as i32 * nuc_id + 2 as i32) as isize) == 2 as i32 { + zeta = *env.offset(*atm.offset((6 as i32 * nuc_id + 3 as i32) as isize) as isize); } else { zeta = 0 as f64; } if zeta > 0 as f64 { - return (zeta / (aij + zeta)).sqrt() + return (zeta / (aij + zeta)).sqrt(); } else { - return 1 as f64 + return 1 as f64; }; } #[no_mangle] -pub unsafe fn CINTg1e_nuc( - mut g: *mut f64, - envs: &CINTEnvVars, - mut nuc_id: i32, -) -> i32 { +pub unsafe fn CINTg1e_nuc(mut g: *mut f64, envs: &CINTEnvVars, mut nuc_id: i32) -> i32 { let mut nrys_roots: i32 = (*envs).nrys_roots; let mut atm: *mut i32 = (*envs).atm; let mut env: *mut f64 = (*envs).env; let mut rij: *const f64 = ((*envs).rij).as_ptr(); let mut gx: *mut f64 = g; let mut gy: *mut f64 = g.offset((*envs).g_size as isize); - let mut gz: *mut f64 = g - .offset(((*envs).g_size * 2 as i32) as isize); + let mut gz: *mut f64 = g.offset(((*envs).g_size * 2 as i32) as isize); let mut u: [f64; 32] = [0.; 32]; let mut w: *mut f64 = gz; let mut cr: *mut f64 = 0 as *mut f64; @@ -355,36 +258,27 @@ pub unsafe fn CINTg1e_nuc( let mut crij: [f64; 3] = [0.; 3]; let mut x: f64 = 0.; let mut fac1: f64 = 0.; - let mut aij: f64 = (*envs).ai[0 as usize] - + (*envs).aj[0 as usize]; + let mut aij: f64 = (*envs).ai[0 as usize] + (*envs).aj[0 as usize]; let mut tau: f64 = CINTnuc_mod(aij, nuc_id, atm, env); if nuc_id < 0 as i32 { - fac1 = 2 as f64 * 3.14159265358979323846f64 - * (*envs).fac[0 as usize] * tau / aij; + fac1 = 2 as f64 * 3.14159265358979323846f64 * (*envs).fac[0 as usize] * tau / aij; cr = env.offset(4 as isize); - } else if *atm.offset((6 as i32 * nuc_id + 2 as i32) as isize) - == 3 as i32 - { - fac1 = 2 as f64 * 3.14159265358979323846f64 - * -*env - .offset( - *atm.offset((4 as i32 + nuc_id * 6 as i32) as isize) - as isize, - ) * (*envs).fac[0 as usize] * tau / aij; - cr = env - .offset( - *atm.offset((6 as i32 * nuc_id + 1 as i32) as isize) - as isize, - ); + } else if *atm.offset((6 as i32 * nuc_id + 2 as i32) as isize) == 3 as i32 { + fac1 = 2 as f64 + * 3.14159265358979323846f64 + * -*env.offset(*atm.offset((4 as i32 + nuc_id * 6 as i32) as isize) as isize) + * (*envs).fac[0 as usize] + * tau + / aij; + cr = env.offset(*atm.offset((6 as i32 * nuc_id + 1 as i32) as isize) as isize); } else { - fac1 = 2 as f64 * 3.14159265358979323846f64 - * -(*atm.offset((0 as i32 + nuc_id * 6 as i32) as isize)).abs() - as f64 * (*envs).fac[0 as usize] * tau / aij; - cr = env - .offset( - *atm.offset((6 as i32 * nuc_id + 1 as i32) as isize) - as isize, - ); + fac1 = 2 as f64 + * 3.14159265358979323846f64 + * -(*atm.offset((0 as i32 + nuc_id * 6 as i32) as isize)).abs() as f64 + * (*envs).fac[0 as usize] + * tau + / aij; + cr = env.offset(*atm.offset((6 as i32 * nuc_id + 1 as i32) as isize) as isize); } crij[0] = *cr.offset(0) - *rij.offset(0); crij[1] = *cr.offset(1) - *rij.offset(1); @@ -427,12 +321,9 @@ pub unsafe fn CINTg1e_nuc( dj = (*envs).g_stride_i; rx = (*envs).rj; } - let mut rijrx: f64 = *rij.offset(0) - - *rx.offset(0); - let mut rijry: f64 = *rij.offset(1) - - *rx.offset(1); - let mut rijrz: f64 = *rij.offset(2) - - *rx.offset(2); + let mut rijrx: f64 = *rij.offset(0) - *rx.offset(0); + let mut rijry: f64 = *rij.offset(1) - *rx.offset(1); + let mut rijrz: f64 = *rij.offset(2) - *rx.offset(2); let mut aij2: f64 = 0.5f64 / aij; let mut ru: f64 = 0.; let mut rt: f64 = 0.; @@ -447,8 +338,7 @@ pub unsafe fn CINTg1e_nuc( p1z = gz.offset(-(di as isize)); n = 0 as i32; while n < nrys_roots { - ru = tau * tau * u[n as usize] - / (1 as f64 + u[n as usize]); + ru = tau * tau * u[n as usize] / (1 as f64 + u[n as usize]); rt = aij2 - aij2 * ru; r0 = rijrx + ru * crij[0]; r1 = rijry + ru * crij[1]; @@ -458,20 +348,11 @@ pub unsafe fn CINTg1e_nuc( *p0z.offset(n as isize) = r2 * *gz.offset(n as isize); i = 1 as i32; while i < nmax { - *p0x - .offset( - (n + i * di) as isize, - ) = i as f64 * rt * *p1x.offset((n + i * di) as isize) + *p0x.offset((n + i * di) as isize) = i as f64 * rt * *p1x.offset((n + i * di) as isize) + r0 * *gx.offset((n + i * di) as isize); - *p0y - .offset( - (n + i * di) as isize, - ) = i as f64 * rt * *p1y.offset((n + i * di) as isize) + *p0y.offset((n + i * di) as isize) = i as f64 * rt * *p1y.offset((n + i * di) as isize) + r1 * *gy.offset((n + i * di) as isize); - *p0z - .offset( - (n + i * di) as isize, - ) = i as f64 * rt * *p1z.offset((n + i * di) as isize) + *p0z.offset((n + i * di) as isize) = i as f64 * rt * *p1z.offset((n + i * di) as isize) + r2 * *gz.offset((n + i * di) as isize); i += 1; i; @@ -497,21 +378,12 @@ pub unsafe fn CINTg1e_nuc( while i <= nmax - j { n = 0 as i32; while n < nrys_roots { - *p0x - .offset( - (n + i * di) as isize, - ) = *p2x.offset((n + i * di) as isize) - + rirjx * *p1x.offset((n + i * di) as isize); - *p0y - .offset( - (n + i * di) as isize, - ) = *p2y.offset((n + i * di) as isize) - + rirjy * *p1y.offset((n + i * di) as isize); - *p0z - .offset( - (n + i * di) as isize, - ) = *p2z.offset((n + i * di) as isize) - + rirjz * *p1z.offset((n + i * di) as isize); + *p0x.offset((n + i * di) as isize) = + *p2x.offset((n + i * di) as isize) + rirjx * *p1x.offset((n + i * di) as isize); + *p0y.offset((n + i * di) as isize) = + *p2y.offset((n + i * di) as isize) + rirjy * *p1y.offset((n + i * di) as isize); + *p0z.offset((n + i * di) as isize) = + *p2z.offset((n + i * di) as isize) + rirjz * *p1z.offset((n + i * di) as isize); n += 1; n; } @@ -534,55 +406,34 @@ pub unsafe fn CINTnabla1i_1e( ) { let dj: i32 = (*envs).g_stride_j; let dk: i32 = (*envs).g_stride_k; - let ai2: f64 = -(2 as i32) as f64 - * (*envs).ai[0 as usize]; + let ai2: f64 = -(2 as i32) as f64 * (*envs).ai[0 as usize]; let mut i: i32 = 0; let mut j: i32 = 0; let mut k: i32 = 0; let mut ptr: i32 = 0; let mut gx: *const f64 = g; let mut gy: *const f64 = g.offset((*envs).g_size as isize); - let mut gz: *const f64 = g - .offset(((*envs).g_size * 2 as i32) as isize); + let mut gz: *const f64 = g.offset(((*envs).g_size * 2 as i32) as isize); let mut fx: *mut f64 = f; let mut fy: *mut f64 = f.offset((*envs).g_size as isize); - let mut fz: *mut f64 = f - .offset(((*envs).g_size * 2 as i32) as isize); + let mut fz: *mut f64 = f.offset(((*envs).g_size * 2 as i32) as isize); k = 0 as i32; while k <= lk { j = 0 as i32; while j <= lj { ptr = dj * j + dk * k; - *fx - .offset( - ptr as isize, - ) = ai2 * *gx.offset((ptr + 1 as i32) as isize); - *fy - .offset( - ptr as isize, - ) = ai2 * *gy.offset((ptr + 1 as i32) as isize); - *fz - .offset( - ptr as isize, - ) = ai2 * *gz.offset((ptr + 1 as i32) as isize); + *fx.offset(ptr as isize) = ai2 * *gx.offset((ptr + 1 as i32) as isize); + *fy.offset(ptr as isize) = ai2 * *gy.offset((ptr + 1 as i32) as isize); + *fz.offset(ptr as isize) = ai2 * *gz.offset((ptr + 1 as i32) as isize); i = 1 as i32; while i <= li { - *fx - .offset( - (ptr + i) as isize, - ) = i as f64 + *fx.offset((ptr + i) as isize) = i as f64 * *gx.offset((ptr + i - 1 as i32) as isize) + ai2 * *gx.offset((ptr + i + 1 as i32) as isize); - *fy - .offset( - (ptr + i) as isize, - ) = i as f64 + *fy.offset((ptr + i) as isize) = i as f64 * *gy.offset((ptr + i - 1 as i32) as isize) + ai2 * *gy.offset((ptr + i + 1 as i32) as isize); - *fz - .offset( - (ptr + i) as isize, - ) = i as f64 + *fz.offset((ptr + i) as isize) = i as f64 * *gz.offset((ptr + i - 1 as i32) as isize) + ai2 * *gz.offset((ptr + i + 1 as i32) as isize); i += 1; @@ -606,20 +457,17 @@ pub unsafe extern "C" fn CINTnabla1j_1e( ) { let dj: i32 = (*envs).g_stride_j; let dk: i32 = (*envs).g_stride_k; - let aj2: f64 = -(2 as i32) as f64 - * (*envs).aj[0 as usize]; + let aj2: f64 = -(2 as i32) as f64 * (*envs).aj[0 as usize]; let mut i: i32 = 0; let mut j: i32 = 0; let mut k: i32 = 0; let mut ptr: i32 = 0; let mut gx: *const f64 = g; let mut gy: *const f64 = g.offset((*envs).g_size as isize); - let mut gz: *const f64 = g - .offset(((*envs).g_size * 2 as i32) as isize); + let mut gz: *const f64 = g.offset(((*envs).g_size * 2 as i32) as isize); let mut fx: *mut f64 = f; let mut fy: *mut f64 = f.offset((*envs).g_size as isize); - let mut fz: *mut f64 = f - .offset(((*envs).g_size * 2 as i32) as isize); + let mut fz: *mut f64 = f.offset(((*envs).g_size * 2 as i32) as isize); k = 0 as i32; while k <= lk { ptr = dk * k; @@ -636,21 +484,12 @@ pub unsafe extern "C" fn CINTnabla1j_1e( ptr = dj * j + dk * k; i = ptr; while i <= ptr + li { - *fx - .offset( - i as isize, - ) = j as f64 * *gx.offset((i - dj) as isize) - + aj2 * *gx.offset((i + dj) as isize); - *fy - .offset( - i as isize, - ) = j as f64 * *gy.offset((i - dj) as isize) - + aj2 * *gy.offset((i + dj) as isize); - *fz - .offset( - i as isize, - ) = j as f64 * *gz.offset((i - dj) as isize) - + aj2 * *gz.offset((i + dj) as isize); + *fx.offset(i as isize) = + j as f64 * *gx.offset((i - dj) as isize) + aj2 * *gx.offset((i + dj) as isize); + *fy.offset(i as isize) = + j as f64 * *gy.offset((i - dj) as isize) + aj2 * *gy.offset((i + dj) as isize); + *fz.offset(i as isize) = + j as f64 * *gz.offset((i - dj) as isize) + aj2 * *gz.offset((i + dj) as isize); i += 1; i; } @@ -672,20 +511,17 @@ pub unsafe fn CINTnabla1k_1e( ) { let dj: i32 = (*envs).g_stride_j; let dk: i32 = (*envs).g_stride_k; - let ak2: f64 = -(2 as i32) as f64 - * (*envs).ak[0 as usize]; + let ak2: f64 = -(2 as i32) as f64 * (*envs).ak[0 as usize]; let mut i: i32 = 0; let mut j: i32 = 0; let mut k: i32 = 0; let mut ptr: i32 = 0; let mut gx: *const f64 = g; let mut gy: *const f64 = g.offset((*envs).g_size as isize); - let mut gz: *const f64 = g - .offset(((*envs).g_size * 2 as i32) as isize); + let mut gz: *const f64 = g.offset(((*envs).g_size * 2 as i32) as isize); let mut fx: *mut f64 = f; let mut fy: *mut f64 = f.offset((*envs).g_size as isize); - let mut fz: *mut f64 = f - .offset(((*envs).g_size * 2 as i32) as isize); + let mut fz: *mut f64 = f.offset(((*envs).g_size * 2 as i32) as isize); j = 0 as i32; while j <= lj { ptr = dj * j; @@ -707,21 +543,12 @@ pub unsafe fn CINTnabla1k_1e( ptr = dj * j + dk * k; i = ptr; while i <= ptr + li { - *fx - .offset( - i as isize, - ) = k as f64 * *gx.offset((i - dk) as isize) - + ak2 * *gx.offset((i + dk) as isize); - *fy - .offset( - i as isize, - ) = k as f64 * *gy.offset((i - dk) as isize) - + ak2 * *gy.offset((i + dk) as isize); - *fz - .offset( - i as isize, - ) = k as f64 * *gz.offset((i - dk) as isize) - + ak2 * *gz.offset((i + dk) as isize); + *fx.offset(i as isize) = + k as f64 * *gx.offset((i - dk) as isize) + ak2 * *gx.offset((i + dk) as isize); + *fy.offset(i as isize) = + k as f64 * *gy.offset((i - dk) as isize) + ak2 * *gy.offset((i + dk) as isize); + *fz.offset(i as isize) = + k as f64 * *gz.offset((i - dk) as isize) + ak2 * *gz.offset((i + dk) as isize); i += 1; i; } @@ -750,12 +577,10 @@ pub unsafe fn CINTx1i_1e( let dk: i32 = (*envs).g_stride_k; let mut gx: *const f64 = g; let mut gy: *const f64 = g.offset((*envs).g_size as isize); - let mut gz: *const f64 = g - .offset(((*envs).g_size * 2 as i32) as isize); + let mut gz: *const f64 = g.offset(((*envs).g_size * 2 as i32) as isize); let mut fx: *mut f64 = f; let mut fy: *mut f64 = f.offset((*envs).g_size as isize); - let mut fz: *mut f64 = f - .offset(((*envs).g_size * 2 as i32) as isize); + let mut fz: *mut f64 = f.offset(((*envs).g_size * 2 as i32) as isize); k = 0 as i32; while k <= lk { j = 0 as i32; @@ -763,21 +588,12 @@ pub unsafe fn CINTx1i_1e( ptr = dj * j + dk * k; i = ptr; while i <= ptr + li { - *fx - .offset( - i as isize, - ) = *gx.offset((i + 1 as i32) as isize) - + *ri.offset(0) * *gx.offset(i as isize); - *fy - .offset( - i as isize, - ) = *gy.offset((i + 1 as i32) as isize) - + *ri.offset(1) * *gy.offset(i as isize); - *fz - .offset( - i as isize, - ) = *gz.offset((i + 1 as i32) as isize) - + *ri.offset(2) * *gz.offset(i as isize); + *fx.offset(i as isize) = + *gx.offset((i + 1 as i32) as isize) + *ri.offset(0) * *gx.offset(i as isize); + *fy.offset(i as isize) = + *gy.offset((i + 1 as i32) as isize) + *ri.offset(1) * *gy.offset(i as isize); + *fz.offset(i as isize) = + *gz.offset((i + 1 as i32) as isize) + *ri.offset(2) * *gz.offset(i as isize); i += 1; i; } @@ -806,12 +622,10 @@ pub unsafe fn CINTx1j_1e( let dk: i32 = (*envs).g_stride_k; let mut gx: *const f64 = g; let mut gy: *const f64 = g.offset((*envs).g_size as isize); - let mut gz: *const f64 = g - .offset(((*envs).g_size * 2 as i32) as isize); + let mut gz: *const f64 = g.offset(((*envs).g_size * 2 as i32) as isize); let mut fx: *mut f64 = f; let mut fy: *mut f64 = f.offset((*envs).g_size as isize); - let mut fz: *mut f64 = f - .offset(((*envs).g_size * 2 as i32) as isize); + let mut fz: *mut f64 = f.offset(((*envs).g_size * 2 as i32) as isize); k = 0 as i32; while k <= lk { j = 0 as i32; @@ -819,21 +633,12 @@ pub unsafe fn CINTx1j_1e( ptr = dj * j + dk * k; i = ptr; while i <= ptr + li { - *fx - .offset( - i as isize, - ) = *gx.offset((i + dj) as isize) - + *rj.offset(0) * *gx.offset(i as isize); - *fy - .offset( - i as isize, - ) = *gy.offset((i + dj) as isize) - + *rj.offset(1) * *gy.offset(i as isize); - *fz - .offset( - i as isize, - ) = *gz.offset((i + dj) as isize) - + *rj.offset(2) * *gz.offset(i as isize); + *fx.offset(i as isize) = + *gx.offset((i + dj) as isize) + *rj.offset(0) * *gx.offset(i as isize); + *fy.offset(i as isize) = + *gy.offset((i + dj) as isize) + *rj.offset(1) * *gy.offset(i as isize); + *fz.offset(i as isize) = + *gz.offset((i + dj) as isize) + *rj.offset(2) * *gz.offset(i as isize); i += 1; i; } @@ -862,12 +667,10 @@ pub unsafe fn CINTx1k_1e( let dk: i32 = (*envs).g_stride_k; let mut gx: *const f64 = g; let mut gy: *const f64 = g.offset((*envs).g_size as isize); - let mut gz: *const f64 = g - .offset(((*envs).g_size * 2 as i32) as isize); + let mut gz: *const f64 = g.offset(((*envs).g_size * 2 as i32) as isize); let mut fx: *mut f64 = f; let mut fy: *mut f64 = f.offset((*envs).g_size as isize); - let mut fz: *mut f64 = f - .offset(((*envs).g_size * 2 as i32) as isize); + let mut fz: *mut f64 = f.offset(((*envs).g_size * 2 as i32) as isize); k = 0 as i32; while k <= lk { j = 0 as i32; @@ -875,21 +678,12 @@ pub unsafe fn CINTx1k_1e( ptr = dj * j + dk * k; i = ptr; while i <= ptr + li { - *fx - .offset( - i as isize, - ) = *gx.offset((i + dk) as isize) - + *rk.offset(0) * *gx.offset(i as isize); - *fy - .offset( - i as isize, - ) = *gy.offset((i + dk) as isize) - + *rk.offset(1) * *gy.offset(i as isize); - *fz - .offset( - i as isize, - ) = *gz.offset((i + dk) as isize) - + *rk.offset(2) * *gz.offset(i as isize); + *fx.offset(i as isize) = + *gx.offset((i + dk) as isize) + *rk.offset(0) * *gx.offset(i as isize); + *fy.offset(i as isize) = + *gy.offset((i + dk) as isize) + *rk.offset(1) * *gy.offset(i as isize); + *fz.offset(i as isize) = + *gz.offset((i + dk) as isize) + *rk.offset(2) * *gz.offset(i as isize); i += 1; i; } @@ -956,10 +750,8 @@ pub unsafe extern "C" fn CINTprim_to_ctr_0( c0 = *coeff.offset((nprim * i) as isize); n = 0 as u64; while n < nf { - *gc - .offset( - nf.wrapping_mul(i as libc::c_ulong).wrapping_add(n) as isize, - ) = c0 * *gp.offset(n as isize); + *gc.offset(nf.wrapping_mul(i as libc::c_ulong).wrapping_add(n) as isize) = + c0 * *gp.offset(n as isize); n = n.wrapping_add(1); n; } @@ -989,8 +781,8 @@ pub unsafe extern "C" fn CINTprim_to_ctr_1( j = *sortedidx.offset(i as isize); n = 0 as u64; while n < nf { - *gc.offset(nf.wrapping_mul(j as libc::c_ulong).wrapping_add(n) as isize) - += c0 * *gp.offset(n as isize); + *gc.offset(nf.wrapping_mul(j as libc::c_ulong).wrapping_add(n) as isize) += + c0 * *gp.offset(n as isize); n = n.wrapping_add(1); n; } diff --git a/src/g2e.rs b/src/g2e.rs index 7b83db0..cfede60 100644 --- a/src/g2e.rs +++ b/src/g2e.rs @@ -1,4 +1,12 @@ -#![allow(dead_code, mutable_transmutes, non_camel_case_types, non_snake_case, non_upper_case_globals, unused_assignments, unused_mut)] +#![allow( + dead_code, + mutable_transmutes, + non_camel_case_types, + non_snake_case, + non_upper_case_globals, + unused_assignments, + unused_mut +)] use crate::cint_bas::CINTcart_comp; use crate::g1e::CINTcommon_fac_sp; @@ -23,7 +31,7 @@ pub struct Rys2eT { #[no_mangle] pub unsafe extern "C" fn CINTinit_int2e_EnvVars( mut envs: *mut CINTEnvVars, - ng: &[i32;8], + ng: &[i32; 8], mut shls: *mut i32, mut atm: *mut i32, mut natm: i32, @@ -45,97 +53,45 @@ pub unsafe extern "C" fn CINTinit_int2e_EnvVars( (*envs).j_l = *bas.offset((8 as i32 * j_sh + 1 as i32) as isize); (*envs).k_l = *bas.offset((8 as i32 * k_sh + 1 as i32) as isize); (*envs).l_l = *bas.offset((8 as i32 * l_sh + 1 as i32) as isize); - (*envs) - .x_ctr[0 as i32 - as usize] = *bas.offset((8 as i32 * i_sh + 3 as i32) as isize); - (*envs) - .x_ctr[1 as i32 - as usize] = *bas.offset((8 as i32 * j_sh + 3 as i32) as isize); - (*envs) - .x_ctr[2 as i32 - as usize] = *bas.offset((8 as i32 * k_sh + 3 as i32) as isize); - (*envs) - .x_ctr[3 as i32 - as usize] = *bas.offset((8 as i32 * l_sh + 3 as i32) as isize); - (*envs) - .nfi = ((*envs).i_l + 1 as i32) * ((*envs).i_l + 2 as i32) - / 2 as i32; - (*envs) - .nfj = ((*envs).j_l + 1 as i32) * ((*envs).j_l + 2 as i32) - / 2 as i32; - (*envs) - .c2rust_unnamed - .nfk = ((*envs).k_l + 1 as i32) * ((*envs).k_l + 2 as i32) - / 2 as i32; - (*envs) - .c2rust_unnamed_0 - .nfl = ((*envs).l_l + 1 as i32) * ((*envs).l_l + 2 as i32) - / 2 as i32; - (*envs) - .nf = (*envs).nfi * (*envs).c2rust_unnamed.nfk * (*envs).c2rust_unnamed_0.nfl - * (*envs).nfj; - (*envs) - .ri = env - .offset( - *atm - .offset( - (6 as i32 - * *bas - .offset( - (8 as i32 * i_sh + 0 as i32) as isize, - ) + 1 as i32) as isize, - ) as isize, - ); - (*envs) - .rj = env - .offset( - *atm - .offset( - (6 as i32 - * *bas - .offset( - (8 as i32 * j_sh + 0 as i32) as isize, - ) + 1 as i32) as isize, - ) as isize, - ); - (*envs) - .rk = env - .offset( - *atm - .offset( - (6 as i32 - * *bas - .offset( - (8 as i32 * k_sh + 0 as i32) as isize, - ) + 1 as i32) as isize, - ) as isize, - ); - (*envs) - .c2rust_unnamed_1 - .rl = env - .offset( - *atm - .offset( - (6 as i32 - * *bas - .offset( - (8 as i32 * l_sh + 0 as i32) as isize, - ) + 1 as i32) as isize, - ) as isize, - ); - (*envs) - .common_factor = 3.14159265358979323846f64 * 3.14159265358979323846f64 - * 3.14159265358979323846f64 * 2 as f64 - / 1.7724538509055160272981674833411451f64 * CINTcommon_fac_sp((*envs).i_l) - * CINTcommon_fac_sp((*envs).j_l) * CINTcommon_fac_sp((*envs).k_l) + (*envs).x_ctr[0 as i32 as usize] = *bas.offset((8 as i32 * i_sh + 3 as i32) as isize); + (*envs).x_ctr[1 as i32 as usize] = *bas.offset((8 as i32 * j_sh + 3 as i32) as isize); + (*envs).x_ctr[2 as i32 as usize] = *bas.offset((8 as i32 * k_sh + 3 as i32) as isize); + (*envs).x_ctr[3 as i32 as usize] = *bas.offset((8 as i32 * l_sh + 3 as i32) as isize); + (*envs).nfi = ((*envs).i_l + 1 as i32) * ((*envs).i_l + 2 as i32) / 2 as i32; + (*envs).nfj = ((*envs).j_l + 1 as i32) * ((*envs).j_l + 2 as i32) / 2 as i32; + (*envs).c2rust_unnamed.nfk = ((*envs).k_l + 1 as i32) * ((*envs).k_l + 2 as i32) / 2 as i32; + (*envs).c2rust_unnamed_0.nfl = ((*envs).l_l + 1 as i32) * ((*envs).l_l + 2 as i32) / 2 as i32; + (*envs).nf = + (*envs).nfi * (*envs).c2rust_unnamed.nfk * (*envs).c2rust_unnamed_0.nfl * (*envs).nfj; + (*envs).ri = + env.offset(*atm.offset( + (6 as i32 * *bas.offset((8 as i32 * i_sh + 0 as i32) as isize) + 1 as i32) as isize, + ) as isize); + (*envs).rj = + env.offset(*atm.offset( + (6 as i32 * *bas.offset((8 as i32 * j_sh + 0 as i32) as isize) + 1 as i32) as isize, + ) as isize); + (*envs).rk = + env.offset(*atm.offset( + (6 as i32 * *bas.offset((8 as i32 * k_sh + 0 as i32) as isize) + 1 as i32) as isize, + ) as isize); + (*envs).c2rust_unnamed_1.rl = + env.offset(*atm.offset( + (6 as i32 * *bas.offset((8 as i32 * l_sh + 0 as i32) as isize) + 1 as i32) as isize, + ) as isize); + (*envs).common_factor = 3.14159265358979323846f64 + * 3.14159265358979323846f64 + * 3.14159265358979323846f64 + * 2 as f64 + / 1.7724538509055160272981674833411451f64 + * CINTcommon_fac_sp((*envs).i_l) + * CINTcommon_fac_sp((*envs).j_l) + * CINTcommon_fac_sp((*envs).k_l) * CINTcommon_fac_sp((*envs).l_l); if *env.offset(0 as isize) == 0 as f64 { (*envs).expcutoff = 60 as f64; } else { - (*envs) - .expcutoff = (if 40 as f64 - > *env.offset(0 as isize) - { + (*envs).expcutoff = (if 40 as f64 > *env.offset(0 as isize) { 40 as f64 } else { *env.offset(0 as isize) @@ -149,8 +105,9 @@ pub unsafe extern "C" fn CINTinit_int2e_EnvVars( (*envs).lj_ceil = (*envs).j_l + ng[1]; (*envs).lk_ceil = (*envs).k_l + ng[2]; (*envs).ll_ceil = (*envs).l_l + ng[3]; - let mut rys_order: i32 = ((*envs).li_ceil + (*envs).lj_ceil + (*envs).lk_ceil - + (*envs).ll_ceil) / 2 as i32 + 1 as i32; + let mut rys_order: i32 = + ((*envs).li_ceil + (*envs).lj_ceil + (*envs).lk_ceil + (*envs).ll_ceil) / 2 as i32 + + 1 as i32; let mut nrys_roots: i32 = rys_order; let mut omega: f64 = *env.offset(8 as isize); if omega < 0 as f64 && rys_order <= 3 as i32 { @@ -186,225 +143,101 @@ pub unsafe extern "C" fn CINTinit_int2e_EnvVars( if kbase != 0 { (*envs).g2d_klmax = (*envs).g_stride_k; (*envs).rx_in_rklrx = (*envs).rk; - (*envs) - .rkrl[0 as i32 - as usize] = *((*envs).rk).offset(0 as isize) - - *((*envs).c2rust_unnamed_1.rl).offset(0 as isize); - (*envs) - .rkrl[1 as i32 - as usize] = *((*envs).rk).offset(1 as isize) - - *((*envs).c2rust_unnamed_1.rl).offset(1 as isize); - (*envs) - .rkrl[2 as i32 - as usize] = *((*envs).rk).offset(2 as isize) - - *((*envs).c2rust_unnamed_1.rl).offset(2 as isize); + (*envs).rkrl[0 as i32 as usize] = + *((*envs).rk).offset(0 as isize) - *((*envs).c2rust_unnamed_1.rl).offset(0 as isize); + (*envs).rkrl[1 as i32 as usize] = + *((*envs).rk).offset(1 as isize) - *((*envs).c2rust_unnamed_1.rl).offset(1 as isize); + (*envs).rkrl[2 as i32 as usize] = + *((*envs).rk).offset(2 as isize) - *((*envs).c2rust_unnamed_1.rl).offset(2 as isize); } else { (*envs).g2d_klmax = (*envs).g_stride_l; (*envs).rx_in_rklrx = (*envs).c2rust_unnamed_1.rl; - (*envs) - .rkrl[0 as i32 - as usize] = *((*envs).c2rust_unnamed_1.rl).offset(0 as isize) - - *((*envs).rk).offset(0 as isize); - (*envs) - .rkrl[1 as i32 - as usize] = *((*envs).c2rust_unnamed_1.rl).offset(1 as isize) - - *((*envs).rk).offset(1 as isize); - (*envs) - .rkrl[2 as i32 - as usize] = *((*envs).c2rust_unnamed_1.rl).offset(2 as isize) - - *((*envs).rk).offset(2 as isize); + (*envs).rkrl[0 as i32 as usize] = + *((*envs).c2rust_unnamed_1.rl).offset(0 as isize) - *((*envs).rk).offset(0 as isize); + (*envs).rkrl[1 as i32 as usize] = + *((*envs).c2rust_unnamed_1.rl).offset(1 as isize) - *((*envs).rk).offset(1 as isize); + (*envs).rkrl[2 as i32 as usize] = + *((*envs).c2rust_unnamed_1.rl).offset(2 as isize) - *((*envs).rk).offset(2 as isize); } if ibase != 0 { (*envs).g2d_ijmax = (*envs).g_stride_i; (*envs).rx_in_rijrx = (*envs).ri; - (*envs) - .rirj[0 as i32 - as usize] = *((*envs).ri).offset(0 as isize) - - *((*envs).rj).offset(0 as isize); - (*envs) - .rirj[1 as i32 - as usize] = *((*envs).ri).offset(1 as isize) - - *((*envs).rj).offset(1 as isize); - (*envs) - .rirj[2 as i32 - as usize] = *((*envs).ri).offset(2 as isize) - - *((*envs).rj).offset(2 as isize); + (*envs).rirj[0 as i32 as usize] = + *((*envs).ri).offset(0 as isize) - *((*envs).rj).offset(0 as isize); + (*envs).rirj[1 as i32 as usize] = + *((*envs).ri).offset(1 as isize) - *((*envs).rj).offset(1 as isize); + (*envs).rirj[2 as i32 as usize] = + *((*envs).ri).offset(2 as isize) - *((*envs).rj).offset(2 as isize); } else { (*envs).g2d_ijmax = (*envs).g_stride_j; (*envs).rx_in_rijrx = (*envs).rj; - (*envs) - .rirj[0 as i32 - as usize] = *((*envs).rj).offset(0 as isize) - - *((*envs).ri).offset(0 as isize); - (*envs) - .rirj[1 as i32 - as usize] = *((*envs).rj).offset(1 as isize) - - *((*envs).ri).offset(1 as isize); - (*envs) - .rirj[2 as i32 - as usize] = *((*envs).rj).offset(2 as isize) - - *((*envs).ri).offset(2 as isize); + (*envs).rirj[0 as i32 as usize] = + *((*envs).rj).offset(0 as isize) - *((*envs).ri).offset(0 as isize); + (*envs).rirj[1 as i32 as usize] = + *((*envs).rj).offset(1 as isize) - *((*envs).ri).offset(1 as isize); + (*envs).rirj[2 as i32 as usize] = + *((*envs).rj).offset(2 as isize) - *((*envs).ri).offset(2 as isize); } if rys_order <= 2 as i32 { - (*envs) - .f_g0_2d4d = ::core::mem::transmute::< - Option::< - unsafe extern "C" fn( - *mut f64, - *mut Rys2eT, - *mut CINTEnvVars, - ) -> (), - >, - Option:: ()>, - >( - Some( - CINTg0_2e_2d4d_unrolled - as unsafe extern "C" fn( - *mut f64, - *mut Rys2eT, - *mut CINTEnvVars, - ) -> (), - ), - ); + (*envs).f_g0_2d4d = ::core::mem::transmute::< + Option ()>, + Option ()>, + >(Some( + CINTg0_2e_2d4d_unrolled + as unsafe extern "C" fn(*mut f64, *mut Rys2eT, *mut CINTEnvVars) -> (), + )); if rys_order != nrys_roots { - (*envs) - .f_g0_2d4d = ::core::mem::transmute::< - Option::< - unsafe extern "C" fn( - *mut f64, - *mut Rys2eT, - *mut CINTEnvVars, - ) -> (), - >, - Option:: ()>, - >( - Some( - CINTsrg0_2e_2d4d_unrolled - as unsafe extern "C" fn( - *mut f64, - *mut Rys2eT, - *mut CINTEnvVars, - ) -> (), - ), - ); + (*envs).f_g0_2d4d = ::core::mem::transmute::< + Option ()>, + Option ()>, + >(Some( + CINTsrg0_2e_2d4d_unrolled + as unsafe extern "C" fn(*mut f64, *mut Rys2eT, *mut CINTEnvVars) -> (), + )); } } else if kbase != 0 { if ibase != 0 { - (*envs) - .f_g0_2d4d = ::core::mem::transmute::< - Option::< - unsafe extern "C" fn( - *mut f64, - *mut Rys2eT, - *mut CINTEnvVars, - ) -> (), - >, - Option:: ()>, - >( - Some( - CINTg0_2e_ik2d4d - as unsafe extern "C" fn( - *mut f64, - *mut Rys2eT, - *mut CINTEnvVars, - ) -> (), - ), - ); + (*envs).f_g0_2d4d = ::core::mem::transmute::< + Option ()>, + Option ()>, + >(Some( + CINTg0_2e_ik2d4d + as unsafe extern "C" fn(*mut f64, *mut Rys2eT, *mut CINTEnvVars) -> (), + )); } else { - (*envs) - .f_g0_2d4d = ::core::mem::transmute::< - Option::< - unsafe extern "C" fn( - *mut f64, - *mut Rys2eT, - *mut CINTEnvVars, - ) -> (), - >, - Option:: ()>, - >( - Some( - CINTg0_2e_kj2d4d - as unsafe extern "C" fn( - *mut f64, - *mut Rys2eT, - *mut CINTEnvVars, - ) -> (), - ), - ); + (*envs).f_g0_2d4d = ::core::mem::transmute::< + Option ()>, + Option ()>, + >(Some( + CINTg0_2e_kj2d4d + as unsafe extern "C" fn(*mut f64, *mut Rys2eT, *mut CINTEnvVars) -> (), + )); } } else if ibase != 0 { - (*envs) - .f_g0_2d4d = ::core::mem::transmute::< - Option::< - unsafe extern "C" fn( - *mut f64, - *mut Rys2eT, - *mut CINTEnvVars, - ) -> (), - >, - Option:: ()>, - >( - Some( - CINTg0_2e_il2d4d - as unsafe extern "C" fn( - *mut f64, - *mut Rys2eT, - *mut CINTEnvVars, - ) -> (), - ), - ); + (*envs).f_g0_2d4d = ::core::mem::transmute::< + Option ()>, + Option ()>, + >(Some( + CINTg0_2e_il2d4d as unsafe extern "C" fn(*mut f64, *mut Rys2eT, *mut CINTEnvVars) -> (), + )); } else { - (*envs) - .f_g0_2d4d = ::core::mem::transmute::< - Option::< - unsafe extern "C" fn( - *mut f64, - *mut Rys2eT, - *mut CINTEnvVars, - ) -> (), - >, - Option:: ()>, - >( - Some( - CINTg0_2e_lj2d4d - as unsafe extern "C" fn( - *mut f64, - *mut Rys2eT, - *mut CINTEnvVars, - ) -> (), - ), - ); + (*envs).f_g0_2d4d = ::core::mem::transmute::< + Option ()>, + Option ()>, + >(Some( + CINTg0_2e_lj2d4d as unsafe extern "C" fn(*mut f64, *mut Rys2eT, *mut CINTEnvVars) -> (), + )); } - (*envs) - .f_g0_2e = ::core::mem::transmute::< - Option::< - unsafe extern "C" fn( - *mut f64, - *mut f64, - *mut f64, - f64, - *mut CINTEnvVars, - ) -> i32, - >, - Option:: i32>, - >( - Some( - CINTg0_2e - as unsafe extern "C" fn( - *mut f64, - *mut f64, - *mut f64, - f64, - *mut CINTEnvVars, - ) -> i32, - ), - ); + (*envs).f_g0_2e = ::core::mem::transmute::< + Option i32>, + Option i32>, + >(Some( + CINTg0_2e + as unsafe extern "C" fn(*mut f64, *mut f64, *mut f64, f64, *mut CINTEnvVars) -> i32, + )); } #[no_mangle] -pub unsafe fn CINTg2e_index_xyz( - mut idx: *mut i32, - envs: &CINTEnvVars, -) { +pub unsafe fn CINTg2e_index_xyz(mut idx: *mut i32, envs: &CINTEnvVars) { let i_l: i32 = envs.i_l; let j_l: i32 = envs.j_l; let k_l: i32 = envs.k_l; @@ -483,10 +316,7 @@ pub unsafe fn CINTg2e_index_xyz( n += 9 as i32; } 2 => { - *idx - .offset( - (n + 0 as i32) as isize, - ) = ofkx + di * 2 as i32; + *idx.offset((n + 0 as i32) as isize) = ofkx + di * 2 as i32; *idx.offset((n + 1 as i32) as isize) = ofky; *idx.offset((n + 2 as i32) as isize) = ofkz; *idx.offset((n + 3 as i32) as isize) = ofkx + di; @@ -496,37 +326,22 @@ pub unsafe fn CINTg2e_index_xyz( *idx.offset((n + 7 as i32) as isize) = ofky; *idx.offset((n + 8 as i32) as isize) = ofkz + di; *idx.offset((n + 9 as i32) as isize) = ofkx; - *idx - .offset( - (n + 10 as i32) as isize, - ) = ofky + di * 2 as i32; + *idx.offset((n + 10 as i32) as isize) = ofky + di * 2 as i32; *idx.offset((n + 11 as i32) as isize) = ofkz; *idx.offset((n + 12 as i32) as isize) = ofkx; *idx.offset((n + 13 as i32) as isize) = ofky + di; *idx.offset((n + 14 as i32) as isize) = ofkz + di; *idx.offset((n + 15 as i32) as isize) = ofkx; *idx.offset((n + 16 as i32) as isize) = ofky; - *idx - .offset( - (n + 17 as i32) as isize, - ) = ofkz + di * 2 as i32; + *idx.offset((n + 17 as i32) as isize) = ofkz + di * 2 as i32; n += 18 as i32; } _ => { i = 0 as i32; while i < nfi { - *idx - .offset( - (n + 0 as i32) as isize, - ) = ofkx + di * i_nx[i as usize]; - *idx - .offset( - (n + 1 as i32) as isize, - ) = ofky + di * i_ny[i as usize]; - *idx - .offset( - (n + 2 as i32) as isize, - ) = ofkz + di * i_nz[i as usize]; + *idx.offset((n + 0 as i32) as isize) = ofkx + di * i_nx[i as usize]; + *idx.offset((n + 1 as i32) as isize) = ofky + di * i_ny[i as usize]; + *idx.offset((n + 2 as i32) as isize) = ofkz + di * i_nz[i as usize]; n += 3 as i32; i += 1; i; @@ -561,8 +376,7 @@ pub unsafe extern "C" fn CINTg0_2e_2d( let mut off: i32 = 0; let mut gx: *mut f64 = g; let mut gy: *mut f64 = g.offset((*envs).g_size as isize); - let mut gz: *mut f64 = g - .offset(((*envs).g_size * 2 as i32) as isize); + let mut gz: *mut f64 = g.offset(((*envs).g_size * 2 as i32) as isize); let _p0x: *mut f64 = 0 as *mut f64; let _p0y: *mut f64 = 0 as *mut f64; let _p0z: *mut f64 = 0 as *mut f64; @@ -680,12 +494,12 @@ pub unsafe extern "C" fn CINTg0_2e_2d( *gz.offset((i + dn + dm) as isize) = s1z; m = 1 as i32; while m < mmax { - s2x = c0px * s1x + m as f64 * b01 * s0x - + b00 * *gx.offset((i + m * dm) as isize); - s2y = c0py * s1y + m as f64 * b01 * s0y - + b00 * *gy.offset((i + m * dm) as isize); - s2z = c0pz * s1z + m as f64 * b01 * s0z - + b00 * *gz.offset((i + m * dm) as isize); + s2x = + c0px * s1x + m as f64 * b01 * s0x + b00 * *gx.offset((i + m * dm) as isize); + s2y = + c0py * s1y + m as f64 * b01 * s0y + b00 * *gy.offset((i + m * dm) as isize); + s2z = + c0pz * s1z + m as f64 * b01 * s0z + b00 * *gz.offset((i + m * dm) as isize); *gx.offset((i + dn + (m + 1 as i32) * dm) as isize) = s2x; *gy.offset((i + dn + (m + 1 as i32) * dm) as isize) = s2y; *gz.offset((i + dn + (m + 1 as i32) * dm) as isize) = s2z; @@ -712,11 +526,14 @@ pub unsafe extern "C" fn CINTg0_2e_2d( s1z = *gz.offset((j + dn) as isize); n = 1 as i32; while n < nmax { - s2x = c00x * s1x + n as f64 * b10 * s0x + s2x = c00x * s1x + + n as f64 * b10 * s0x + m as f64 * b00 * *gx.offset((j + n * dn - dm) as isize); - s2y = c00y * s1y + n as f64 * b10 * s0y + s2y = c00y * s1y + + n as f64 * b10 * s0y + m as f64 * b00 * *gy.offset((j + n * dn - dm) as isize); - s2z = c00z * s1z + n as f64 * b10 * s0z + s2z = c00z * s1z + + n as f64 * b10 * s0z + m as f64 * b00 * *gz.offset((j + n * dn - dm) as isize); *gx.offset((j + (n + 1 as i32) * dn) as isize) = s2x; *gy.offset((j + (n + 1 as i32) * dn) as isize) = s2y; @@ -738,10 +555,7 @@ pub unsafe extern "C" fn CINTg0_2e_2d( } } #[no_mangle] -pub unsafe extern "C" fn CINTg0_lj2d_4d( - mut g: *mut f64, - mut envs: *mut CINTEnvVars, -) { +pub unsafe extern "C" fn CINTg0_lj2d_4d(mut g: *mut f64, mut envs: *mut CINTEnvVars) { let mut li: i32 = (*envs).li_ceil; let mut lk: i32 = (*envs).lk_ceil; if li == 0 as i32 && lk == 0 as i32 { @@ -765,8 +579,7 @@ pub unsafe extern "C" fn CINTg0_lj2d_4d( let mut rkrl: *mut f64 = ((*envs).rkrl).as_mut_ptr(); let mut gx: *mut f64 = g; let mut gy: *mut f64 = g.offset((*envs).g_size as isize); - let mut gz: *mut f64 = g - .offset(((*envs).g_size * 2 as i32) as isize); + let mut gz: *mut f64 = g.offset(((*envs).g_size * 2 as i32) as isize); let mut p1x: *mut f64 = 0 as *mut f64; let mut p1y: *mut f64 = 0 as *mut f64; let mut p1z: *mut f64 = 0 as *mut f64; @@ -794,18 +607,9 @@ pub unsafe extern "C" fn CINTg0_lj2d_4d( ptr = j * dj + l * dl + i * di; n = ptr; while n < ptr + nroots { - *gx - .offset( - n as isize, - ) = rx * *p1x.offset(n as isize) + *p2x.offset(n as isize); - *gy - .offset( - n as isize, - ) = ry * *p1y.offset(n as isize) + *p2y.offset(n as isize); - *gz - .offset( - n as isize, - ) = rz * *p1z.offset(n as isize) + *p2z.offset(n as isize); + *gx.offset(n as isize) = rx * *p1x.offset(n as isize) + *p2x.offset(n as isize); + *gy.offset(n as isize) = ry * *p1y.offset(n as isize) + *p2y.offset(n as isize); + *gz.offset(n as isize) = rz * *p1z.offset(n as isize) + *p2z.offset(n as isize); n += 1; n; } @@ -836,18 +640,9 @@ pub unsafe extern "C" fn CINTg0_lj2d_4d( ptr = j * dj + l * dl + k * dk; n = ptr; while n < ptr + dk { - *gx - .offset( - n as isize, - ) = rx * *p1x.offset(n as isize) + *p2x.offset(n as isize); - *gy - .offset( - n as isize, - ) = ry * *p1y.offset(n as isize) + *p2y.offset(n as isize); - *gz - .offset( - n as isize, - ) = rz * *p1z.offset(n as isize) + *p2z.offset(n as isize); + *gx.offset(n as isize) = rx * *p1x.offset(n as isize) + *p2x.offset(n as isize); + *gy.offset(n as isize) = ry * *p1y.offset(n as isize) + *p2y.offset(n as isize); + *gz.offset(n as isize) = rz * *p1z.offset(n as isize) + *p2z.offset(n as isize); n += 1; n; } @@ -862,10 +657,7 @@ pub unsafe extern "C" fn CINTg0_lj2d_4d( } } #[no_mangle] -pub unsafe extern "C" fn CINTg0_kj2d_4d( - mut g: *mut f64, - mut envs: *mut CINTEnvVars, -) { +pub unsafe extern "C" fn CINTg0_kj2d_4d(mut g: *mut f64, mut envs: *mut CINTEnvVars) { let mut li: i32 = (*envs).li_ceil; let mut ll: i32 = (*envs).ll_ceil; if li == 0 as i32 && ll == 0 as i32 { @@ -889,8 +681,7 @@ pub unsafe extern "C" fn CINTg0_kj2d_4d( let mut rkrl: *mut f64 = ((*envs).rkrl).as_mut_ptr(); let mut gx: *mut f64 = g; let mut gy: *mut f64 = g.offset((*envs).g_size as isize); - let mut gz: *mut f64 = g - .offset(((*envs).g_size * 2 as i32) as isize); + let mut gz: *mut f64 = g.offset(((*envs).g_size * 2 as i32) as isize); let mut p1x: *mut f64 = 0 as *mut f64; let mut p1y: *mut f64 = 0 as *mut f64; let mut p1z: *mut f64 = 0 as *mut f64; @@ -918,18 +709,9 @@ pub unsafe extern "C" fn CINTg0_kj2d_4d( ptr = j * dj + k * dk + i * di; n = ptr; while n < ptr + nroots { - *gx - .offset( - n as isize, - ) = rx * *p1x.offset(n as isize) + *p2x.offset(n as isize); - *gy - .offset( - n as isize, - ) = ry * *p1y.offset(n as isize) + *p2y.offset(n as isize); - *gz - .offset( - n as isize, - ) = rz * *p1z.offset(n as isize) + *p2z.offset(n as isize); + *gx.offset(n as isize) = rx * *p1x.offset(n as isize) + *p2x.offset(n as isize); + *gy.offset(n as isize) = ry * *p1y.offset(n as isize) + *p2y.offset(n as isize); + *gz.offset(n as isize) = rz * *p1z.offset(n as isize) + *p2z.offset(n as isize); n += 1; n; } @@ -960,18 +742,9 @@ pub unsafe extern "C" fn CINTg0_kj2d_4d( ptr = j * dj + l * dl + k * dk; n = ptr; while n < ptr + dk { - *gx - .offset( - n as isize, - ) = rx * *p1x.offset(n as isize) + *p2x.offset(n as isize); - *gy - .offset( - n as isize, - ) = ry * *p1y.offset(n as isize) + *p2y.offset(n as isize); - *gz - .offset( - n as isize, - ) = rz * *p1z.offset(n as isize) + *p2z.offset(n as isize); + *gx.offset(n as isize) = rx * *p1x.offset(n as isize) + *p2x.offset(n as isize); + *gy.offset(n as isize) = ry * *p1y.offset(n as isize) + *p2y.offset(n as isize); + *gz.offset(n as isize) = rz * *p1z.offset(n as isize) + *p2z.offset(n as isize); n += 1; n; } @@ -986,10 +759,7 @@ pub unsafe extern "C" fn CINTg0_kj2d_4d( } } #[no_mangle] -pub unsafe extern "C" fn CINTg0_il2d_4d( - mut g: *mut f64, - mut envs: *mut CINTEnvVars, -) { +pub unsafe extern "C" fn CINTg0_il2d_4d(mut g: *mut f64, mut envs: *mut CINTEnvVars) { let mut lk: i32 = (*envs).lk_ceil; let mut lj: i32 = (*envs).lj_ceil; if lj == 0 as i32 && lk == 0 as i32 { @@ -1013,8 +783,7 @@ pub unsafe extern "C" fn CINTg0_il2d_4d( let mut rkrl: *mut f64 = ((*envs).rkrl).as_mut_ptr(); let mut gx: *mut f64 = g; let mut gy: *mut f64 = g.offset((*envs).g_size as isize); - let mut gz: *mut f64 = g - .offset(((*envs).g_size * 2 as i32) as isize); + let mut gz: *mut f64 = g.offset(((*envs).g_size * 2 as i32) as isize); let mut p1x: *mut f64 = 0 as *mut f64; let mut p1y: *mut f64 = 0 as *mut f64; let mut p1z: *mut f64 = 0 as *mut f64; @@ -1042,18 +811,9 @@ pub unsafe extern "C" fn CINTg0_il2d_4d( ptr = l * dl + k * dk + i * di; n = ptr; while n < ptr + nroots { - *gx - .offset( - n as isize, - ) = rx * *p1x.offset(n as isize) + *p2x.offset(n as isize); - *gy - .offset( - n as isize, - ) = ry * *p1y.offset(n as isize) + *p2y.offset(n as isize); - *gz - .offset( - n as isize, - ) = rz * *p1z.offset(n as isize) + *p2z.offset(n as isize); + *gx.offset(n as isize) = rx * *p1x.offset(n as isize) + *p2x.offset(n as isize); + *gy.offset(n as isize) = ry * *p1y.offset(n as isize) + *p2y.offset(n as isize); + *gz.offset(n as isize) = rz * *p1z.offset(n as isize) + *p2z.offset(n as isize); n += 1; n; } @@ -1084,18 +844,9 @@ pub unsafe extern "C" fn CINTg0_il2d_4d( ptr = j * dj + l * dl + k * dk; n = ptr; while n < ptr + dk - di * j { - *gx - .offset( - n as isize, - ) = rx * *p1x.offset(n as isize) + *p2x.offset(n as isize); - *gy - .offset( - n as isize, - ) = ry * *p1y.offset(n as isize) + *p2y.offset(n as isize); - *gz - .offset( - n as isize, - ) = rz * *p1z.offset(n as isize) + *p2z.offset(n as isize); + *gx.offset(n as isize) = rx * *p1x.offset(n as isize) + *p2x.offset(n as isize); + *gy.offset(n as isize) = ry * *p1y.offset(n as isize) + *p2y.offset(n as isize); + *gz.offset(n as isize) = rz * *p1z.offset(n as isize) + *p2z.offset(n as isize); n += 1; n; } @@ -1110,10 +861,7 @@ pub unsafe extern "C" fn CINTg0_il2d_4d( } } #[no_mangle] -pub unsafe extern "C" fn CINTg0_ik2d_4d( - mut g: *mut f64, - mut envs: *mut CINTEnvVars, -) { +pub unsafe extern "C" fn CINTg0_ik2d_4d(mut g: *mut f64, mut envs: *mut CINTEnvVars) { let mut lj: i32 = (*envs).lj_ceil; let mut ll: i32 = (*envs).ll_ceil; if lj == 0 as i32 && ll == 0 as i32 { @@ -1137,8 +885,7 @@ pub unsafe extern "C" fn CINTg0_ik2d_4d( let mut rkrl: *mut f64 = ((*envs).rkrl).as_mut_ptr(); let mut gx: *mut f64 = g; let mut gy: *mut f64 = g.offset((*envs).g_size as isize); - let mut gz: *mut f64 = g - .offset(((*envs).g_size * 2 as i32) as isize); + let mut gz: *mut f64 = g.offset(((*envs).g_size * 2 as i32) as isize); let mut p1x: *mut f64 = 0 as *mut f64; let mut p1y: *mut f64 = 0 as *mut f64; let mut p1z: *mut f64 = 0 as *mut f64; @@ -1166,18 +913,9 @@ pub unsafe extern "C" fn CINTg0_ik2d_4d( ptr = l * dl + k * dk + i * di; n = ptr; while n < ptr + nroots { - *gx - .offset( - n as isize, - ) = rx * *p1x.offset(n as isize) + *p2x.offset(n as isize); - *gy - .offset( - n as isize, - ) = ry * *p1y.offset(n as isize) + *p2y.offset(n as isize); - *gz - .offset( - n as isize, - ) = rz * *p1z.offset(n as isize) + *p2z.offset(n as isize); + *gx.offset(n as isize) = rx * *p1x.offset(n as isize) + *p2x.offset(n as isize); + *gy.offset(n as isize) = ry * *p1y.offset(n as isize) + *p2y.offset(n as isize); + *gz.offset(n as isize) = rz * *p1z.offset(n as isize) + *p2z.offset(n as isize); n += 1; n; } @@ -1208,18 +946,9 @@ pub unsafe extern "C" fn CINTg0_ik2d_4d( ptr = j * dj + l * dl + k * dk; n = ptr; while n < ptr + dk - di * j { - *gx - .offset( - n as isize, - ) = rx * *p1x.offset(n as isize) + *p2x.offset(n as isize); - *gy - .offset( - n as isize, - ) = ry * *p1y.offset(n as isize) + *p2y.offset(n as isize); - *gz - .offset( - n as isize, - ) = rz * *p1z.offset(n as isize) + *p2z.offset(n as isize); + *gx.offset(n as isize) = rx * *p1x.offset(n as isize) + *p2x.offset(n as isize); + *gy.offset(n as isize) = ry * *p1y.offset(n as isize) + *p2y.offset(n as isize); + *gz.offset(n as isize) = rz * *p1z.offset(n as isize) + *p2z.offset(n as isize); n += 1; n; } @@ -1234,20 +963,12 @@ pub unsafe extern "C" fn CINTg0_ik2d_4d( } } #[inline] -unsafe extern "C" fn _g0_2d4d_0000( - mut g: *mut f64, - _bc: *mut Rys2eT, - _envs: *mut CINTEnvVars, -) { +unsafe extern "C" fn _g0_2d4d_0000(mut g: *mut f64, _bc: *mut Rys2eT, _envs: *mut CINTEnvVars) { *g.offset(0 as isize) = 1 as f64; *g.offset(1 as isize) = 1 as f64; } #[inline] -unsafe extern "C" fn _g0_2d4d_0001( - mut g: *mut f64, - mut bc: *mut Rys2eT, - _envs: *mut CINTEnvVars, -) { +unsafe extern "C" fn _g0_2d4d_0001(mut g: *mut f64, mut bc: *mut Rys2eT, _envs: *mut CINTEnvVars) { let mut cpx: *mut f64 = ((*bc).c0px).as_mut_ptr(); let mut cpy: *mut f64 = ((*bc).c0py).as_mut_ptr(); let mut cpz: *mut f64 = ((*bc).c0pz).as_mut_ptr(); @@ -1255,18 +976,10 @@ unsafe extern "C" fn _g0_2d4d_0001( *g.offset(1 as isize) = *cpx.offset(0 as isize); *g.offset(2 as isize) = 1 as f64; *g.offset(3 as isize) = *cpy.offset(0 as isize); - *g - .offset( - 5 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(4 as isize); + *g.offset(5 as isize) = *cpz.offset(0 as isize) * *g.offset(4 as isize); } #[inline] -unsafe extern "C" fn _g0_2d4d_0002( - mut g: *mut f64, - mut bc: *mut Rys2eT, - _envs: *mut CINTEnvVars, -) { +unsafe extern "C" fn _g0_2d4d_0002(mut g: *mut f64, mut bc: *mut Rys2eT, _envs: *mut CINTEnvVars) { let mut cpx: *mut f64 = ((*bc).c0px).as_mut_ptr(); let mut cpy: *mut f64 = ((*bc).c0py).as_mut_ptr(); let mut cpz: *mut f64 = ((*bc).c0pz).as_mut_ptr(); @@ -1275,63 +988,27 @@ unsafe extern "C" fn _g0_2d4d_0002( *g.offset(1 as isize) = 1 as f64; *g.offset(2 as isize) = *cpx.offset(0 as isize); *g.offset(3 as isize) = *cpx.offset(1 as isize); - *g - .offset( - 4 as isize, - ) = *cpx.offset(0 as isize) - * *cpx.offset(0 as isize) - + *b01.offset(0 as isize); - *g - .offset( - 5 as isize, - ) = *cpx.offset(1 as isize) - * *cpx.offset(1 as isize) - + *b01.offset(1 as isize); + *g.offset(4 as isize) = + *cpx.offset(0 as isize) * *cpx.offset(0 as isize) + *b01.offset(0 as isize); + *g.offset(5 as isize) = + *cpx.offset(1 as isize) * *cpx.offset(1 as isize) + *b01.offset(1 as isize); *g.offset(6 as isize) = 1 as f64; *g.offset(7 as isize) = 1 as f64; *g.offset(8 as isize) = *cpy.offset(0 as isize); *g.offset(9 as isize) = *cpy.offset(1 as isize); - *g - .offset( - 10 as isize, - ) = *cpy.offset(0 as isize) - * *cpy.offset(0 as isize) - + *b01.offset(0 as isize); - *g - .offset( - 11 as isize, - ) = *cpy.offset(1 as isize) - * *cpy.offset(1 as isize) - + *b01.offset(1 as isize); - *g - .offset( - 14 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(12 as isize); - *g - .offset( - 15 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(13 as isize); - *g - .offset( - 16 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(14 as isize) + *g.offset(10 as isize) = + *cpy.offset(0 as isize) * *cpy.offset(0 as isize) + *b01.offset(0 as isize); + *g.offset(11 as isize) = + *cpy.offset(1 as isize) * *cpy.offset(1 as isize) + *b01.offset(1 as isize); + *g.offset(14 as isize) = *cpz.offset(0 as isize) * *g.offset(12 as isize); + *g.offset(15 as isize) = *cpz.offset(1 as isize) * *g.offset(13 as isize); + *g.offset(16 as isize) = *cpz.offset(0 as isize) * *g.offset(14 as isize) + *b01.offset(0 as isize) * *g.offset(12 as isize); - *g - .offset( - 17 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(15 as isize) + *g.offset(17 as isize) = *cpz.offset(1 as isize) * *g.offset(15 as isize) + *b01.offset(1 as isize) * *g.offset(13 as isize); } #[inline] -unsafe extern "C" fn _g0_2d4d_0003( - mut g: *mut f64, - mut bc: *mut Rys2eT, - _envs: *mut CINTEnvVars, -) { +unsafe extern "C" fn _g0_2d4d_0003(mut g: *mut f64, mut bc: *mut Rys2eT, _envs: *mut CINTEnvVars) { let mut cpx: *mut f64 = ((*bc).c0px).as_mut_ptr(); let mut cpy: *mut f64 = ((*bc).c0py).as_mut_ptr(); let mut cpz: *mut f64 = ((*bc).c0pz).as_mut_ptr(); @@ -1340,105 +1017,39 @@ unsafe extern "C" fn _g0_2d4d_0003( *g.offset(1 as isize) = 1 as f64; *g.offset(2 as isize) = *cpx.offset(0 as isize); *g.offset(3 as isize) = *cpx.offset(1 as isize); - *g - .offset( - 4 as isize, - ) = *cpx.offset(0 as isize) - * *cpx.offset(0 as isize) - + *b01.offset(0 as isize); - *g - .offset( - 5 as isize, - ) = *cpx.offset(1 as isize) - * *cpx.offset(1 as isize) - + *b01.offset(1 as isize); - *g - .offset( - 6 as isize, - ) = *cpx.offset(0 as isize) - * (*g.offset(4 as isize) - + 2 as f64 - * *b01.offset(0 as isize)); - *g - .offset( - 7 as isize, - ) = *cpx.offset(1 as isize) - * (*g.offset(5 as isize) - + 2 as f64 - * *b01.offset(1 as isize)); + *g.offset(4 as isize) = + *cpx.offset(0 as isize) * *cpx.offset(0 as isize) + *b01.offset(0 as isize); + *g.offset(5 as isize) = + *cpx.offset(1 as isize) * *cpx.offset(1 as isize) + *b01.offset(1 as isize); + *g.offset(6 as isize) = + *cpx.offset(0 as isize) * (*g.offset(4 as isize) + 2 as f64 * *b01.offset(0 as isize)); + *g.offset(7 as isize) = + *cpx.offset(1 as isize) * (*g.offset(5 as isize) + 2 as f64 * *b01.offset(1 as isize)); *g.offset(8 as isize) = 1 as f64; *g.offset(9 as isize) = 1 as f64; *g.offset(10 as isize) = *cpy.offset(0 as isize); *g.offset(11 as isize) = *cpy.offset(1 as isize); - *g - .offset( - 12 as isize, - ) = *cpy.offset(0 as isize) - * *cpy.offset(0 as isize) - + *b01.offset(0 as isize); - *g - .offset( - 13 as isize, - ) = *cpy.offset(1 as isize) - * *cpy.offset(1 as isize) - + *b01.offset(1 as isize); - *g - .offset( - 14 as isize, - ) = *cpy.offset(0 as isize) - * (*g.offset(12 as isize) - + 2 as f64 - * *b01.offset(0 as isize)); - *g - .offset( - 15 as isize, - ) = *cpy.offset(1 as isize) - * (*g.offset(13 as isize) - + 2 as f64 - * *b01.offset(1 as isize)); - *g - .offset( - 18 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(16 as isize); - *g - .offset( - 19 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(17 as isize); - *g - .offset( - 20 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(18 as isize) + *g.offset(12 as isize) = + *cpy.offset(0 as isize) * *cpy.offset(0 as isize) + *b01.offset(0 as isize); + *g.offset(13 as isize) = + *cpy.offset(1 as isize) * *cpy.offset(1 as isize) + *b01.offset(1 as isize); + *g.offset(14 as isize) = + *cpy.offset(0 as isize) * (*g.offset(12 as isize) + 2 as f64 * *b01.offset(0 as isize)); + *g.offset(15 as isize) = + *cpy.offset(1 as isize) * (*g.offset(13 as isize) + 2 as f64 * *b01.offset(1 as isize)); + *g.offset(18 as isize) = *cpz.offset(0 as isize) * *g.offset(16 as isize); + *g.offset(19 as isize) = *cpz.offset(1 as isize) * *g.offset(17 as isize); + *g.offset(20 as isize) = *cpz.offset(0 as isize) * *g.offset(18 as isize) + *b01.offset(0 as isize) * *g.offset(16 as isize); - *g - .offset( - 21 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(19 as isize) + *g.offset(21 as isize) = *cpz.offset(1 as isize) * *g.offset(19 as isize) + *b01.offset(1 as isize) * *g.offset(17 as isize); - *g - .offset( - 22 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(20 as isize) - + 2 as f64 * *b01.offset(0 as isize) - * *g.offset(18 as isize); - *g - .offset( - 23 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(21 as isize) - + 2 as f64 * *b01.offset(1 as isize) - * *g.offset(19 as isize); + *g.offset(22 as isize) = *cpz.offset(0 as isize) * *g.offset(20 as isize) + + 2 as f64 * *b01.offset(0 as isize) * *g.offset(18 as isize); + *g.offset(23 as isize) = *cpz.offset(1 as isize) * *g.offset(21 as isize) + + 2 as f64 * *b01.offset(1 as isize) * *g.offset(19 as isize); } #[inline] -unsafe extern "C" fn _g0_2d4d_0010( - mut g: *mut f64, - mut bc: *mut Rys2eT, - _envs: *mut CINTEnvVars, -) { +unsafe extern "C" fn _g0_2d4d_0010(mut g: *mut f64, mut bc: *mut Rys2eT, _envs: *mut CINTEnvVars) { let mut cpx: *mut f64 = ((*bc).c0px).as_mut_ptr(); let mut cpy: *mut f64 = ((*bc).c0py).as_mut_ptr(); let mut cpz: *mut f64 = ((*bc).c0pz).as_mut_ptr(); @@ -1446,11 +1057,7 @@ unsafe extern "C" fn _g0_2d4d_0010( *g.offset(1 as isize) = *cpx.offset(0 as isize); *g.offset(2 as isize) = 1 as f64; *g.offset(3 as isize) = *cpy.offset(0 as isize); - *g - .offset( - 5 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(4 as isize); + *g.offset(5 as isize) = *cpz.offset(0 as isize) * *g.offset(4 as isize); } #[inline] unsafe extern "C" fn _g0_2d4d_0011( @@ -1469,76 +1076,30 @@ unsafe extern "C" fn _g0_2d4d_0011( *g.offset(1 as isize) = 1 as f64; *g.offset(4 as isize) = *cpx.offset(0 as isize); *g.offset(5 as isize) = *cpx.offset(1 as isize); - *g - .offset( - 6 as isize, - ) = *cpx.offset(0 as isize) - * (xkxl + *cpx.offset(0 as isize)) - + *b01.offset(0 as isize); - *g - .offset( - 7 as isize, - ) = *cpx.offset(1 as isize) - * (xkxl + *cpx.offset(1 as isize)) - + *b01.offset(1 as isize); + *g.offset(6 as isize) = + *cpx.offset(0 as isize) * (xkxl + *cpx.offset(0 as isize)) + *b01.offset(0 as isize); + *g.offset(7 as isize) = + *cpx.offset(1 as isize) * (xkxl + *cpx.offset(1 as isize)) + *b01.offset(1 as isize); *g.offset(2 as isize) = xkxl + *cpx.offset(0 as isize); *g.offset(3 as isize) = xkxl + *cpx.offset(1 as isize); *g.offset(12 as isize) = 1 as f64; *g.offset(13 as isize) = 1 as f64; *g.offset(16 as isize) = *cpy.offset(0 as isize); *g.offset(17 as isize) = *cpy.offset(1 as isize); - *g - .offset( - 18 as isize, - ) = *cpy.offset(0 as isize) - * (ykyl + *cpy.offset(0 as isize)) - + *b01.offset(0 as isize); - *g - .offset( - 19 as isize, - ) = *cpy.offset(1 as isize) - * (ykyl + *cpy.offset(1 as isize)) - + *b01.offset(1 as isize); - *g - .offset( - 14 as isize, - ) = ykyl + *cpy.offset(0 as isize); - *g - .offset( - 15 as isize, - ) = ykyl + *cpy.offset(1 as isize); - *g - .offset( - 28 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(24 as isize); - *g - .offset( - 29 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(25 as isize); - *g - .offset( - 30 as isize, - ) = *g.offset(28 as isize) - * (zkzl + *cpz.offset(0 as isize)) + *g.offset(18 as isize) = + *cpy.offset(0 as isize) * (ykyl + *cpy.offset(0 as isize)) + *b01.offset(0 as isize); + *g.offset(19 as isize) = + *cpy.offset(1 as isize) * (ykyl + *cpy.offset(1 as isize)) + *b01.offset(1 as isize); + *g.offset(14 as isize) = ykyl + *cpy.offset(0 as isize); + *g.offset(15 as isize) = ykyl + *cpy.offset(1 as isize); + *g.offset(28 as isize) = *cpz.offset(0 as isize) * *g.offset(24 as isize); + *g.offset(29 as isize) = *cpz.offset(1 as isize) * *g.offset(25 as isize); + *g.offset(30 as isize) = *g.offset(28 as isize) * (zkzl + *cpz.offset(0 as isize)) + *b01.offset(0 as isize) * *g.offset(24 as isize); - *g - .offset( - 31 as isize, - ) = *g.offset(29 as isize) - * (zkzl + *cpz.offset(1 as isize)) + *g.offset(31 as isize) = *g.offset(29 as isize) * (zkzl + *cpz.offset(1 as isize)) + *b01.offset(1 as isize) * *g.offset(25 as isize); - *g - .offset( - 26 as isize, - ) = *g.offset(24 as isize) - * (zkzl + *cpz.offset(0 as isize)); - *g - .offset( - 27 as isize, - ) = *g.offset(25 as isize) - * (zkzl + *cpz.offset(1 as isize)); + *g.offset(26 as isize) = *g.offset(24 as isize) * (zkzl + *cpz.offset(0 as isize)); + *g.offset(27 as isize) = *g.offset(25 as isize) * (zkzl + *cpz.offset(1 as isize)); } #[inline] unsafe extern "C" fn _g0_2d4d_0012( @@ -1557,161 +1118,57 @@ unsafe extern "C" fn _g0_2d4d_0012( *g.offset(1 as isize) = 1 as f64; *g.offset(4 as isize) = *cpx.offset(0 as isize); *g.offset(5 as isize) = *cpx.offset(1 as isize); - *g - .offset( - 8 as isize, - ) = *cpx.offset(0 as isize) - * *cpx.offset(0 as isize) - + *b01.offset(0 as isize); - *g - .offset( - 9 as isize, - ) = *cpx.offset(1 as isize) - * *cpx.offset(1 as isize) - + *b01.offset(1 as isize); - *g - .offset( - 10 as isize, - ) = *g.offset(8 as isize) - * (xkxl + *cpx.offset(0 as isize)) - + *cpx.offset(0 as isize) * 2 as f64 - * *b01.offset(0 as isize); - *g - .offset( - 11 as isize, - ) = *g.offset(9 as isize) - * (xkxl + *cpx.offset(1 as isize)) - + *cpx.offset(1 as isize) * 2 as f64 - * *b01.offset(1 as isize); - *g - .offset( - 6 as isize, - ) = *cpx.offset(0 as isize) - * (xkxl + *cpx.offset(0 as isize)) - + *b01.offset(0 as isize); - *g - .offset( - 7 as isize, - ) = *cpx.offset(1 as isize) - * (xkxl + *cpx.offset(1 as isize)) - + *b01.offset(1 as isize); + *g.offset(8 as isize) = + *cpx.offset(0 as isize) * *cpx.offset(0 as isize) + *b01.offset(0 as isize); + *g.offset(9 as isize) = + *cpx.offset(1 as isize) * *cpx.offset(1 as isize) + *b01.offset(1 as isize); + *g.offset(10 as isize) = *g.offset(8 as isize) * (xkxl + *cpx.offset(0 as isize)) + + *cpx.offset(0 as isize) * 2 as f64 * *b01.offset(0 as isize); + *g.offset(11 as isize) = *g.offset(9 as isize) * (xkxl + *cpx.offset(1 as isize)) + + *cpx.offset(1 as isize) * 2 as f64 * *b01.offset(1 as isize); + *g.offset(6 as isize) = + *cpx.offset(0 as isize) * (xkxl + *cpx.offset(0 as isize)) + *b01.offset(0 as isize); + *g.offset(7 as isize) = + *cpx.offset(1 as isize) * (xkxl + *cpx.offset(1 as isize)) + *b01.offset(1 as isize); *g.offset(2 as isize) = xkxl + *cpx.offset(0 as isize); *g.offset(3 as isize) = xkxl + *cpx.offset(1 as isize); *g.offset(16 as isize) = 1 as f64; *g.offset(17 as isize) = 1 as f64; *g.offset(20 as isize) = *cpy.offset(0 as isize); *g.offset(21 as isize) = *cpy.offset(1 as isize); - *g - .offset( - 24 as isize, - ) = *cpy.offset(0 as isize) - * *cpy.offset(0 as isize) - + *b01.offset(0 as isize); - *g - .offset( - 25 as isize, - ) = *cpy.offset(1 as isize) - * *cpy.offset(1 as isize) - + *b01.offset(1 as isize); - *g - .offset( - 26 as isize, - ) = *g.offset(24 as isize) - * (ykyl + *cpy.offset(0 as isize)) - + *cpy.offset(0 as isize) * 2 as f64 - * *b01.offset(0 as isize); - *g - .offset( - 27 as isize, - ) = *g.offset(25 as isize) - * (ykyl + *cpy.offset(1 as isize)) - + *cpy.offset(1 as isize) * 2 as f64 - * *b01.offset(1 as isize); - *g - .offset( - 22 as isize, - ) = *cpy.offset(0 as isize) - * (ykyl + *cpy.offset(0 as isize)) - + *b01.offset(0 as isize); - *g - .offset( - 23 as isize, - ) = *cpy.offset(1 as isize) - * (ykyl + *cpy.offset(1 as isize)) - + *b01.offset(1 as isize); - *g - .offset( - 18 as isize, - ) = ykyl + *cpy.offset(0 as isize); - *g - .offset( - 19 as isize, - ) = ykyl + *cpy.offset(1 as isize); - *g - .offset( - 36 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(32 as isize); - *g - .offset( - 37 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(33 as isize); - *g - .offset( - 40 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(36 as isize) + *g.offset(24 as isize) = + *cpy.offset(0 as isize) * *cpy.offset(0 as isize) + *b01.offset(0 as isize); + *g.offset(25 as isize) = + *cpy.offset(1 as isize) * *cpy.offset(1 as isize) + *b01.offset(1 as isize); + *g.offset(26 as isize) = *g.offset(24 as isize) * (ykyl + *cpy.offset(0 as isize)) + + *cpy.offset(0 as isize) * 2 as f64 * *b01.offset(0 as isize); + *g.offset(27 as isize) = *g.offset(25 as isize) * (ykyl + *cpy.offset(1 as isize)) + + *cpy.offset(1 as isize) * 2 as f64 * *b01.offset(1 as isize); + *g.offset(22 as isize) = + *cpy.offset(0 as isize) * (ykyl + *cpy.offset(0 as isize)) + *b01.offset(0 as isize); + *g.offset(23 as isize) = + *cpy.offset(1 as isize) * (ykyl + *cpy.offset(1 as isize)) + *b01.offset(1 as isize); + *g.offset(18 as isize) = ykyl + *cpy.offset(0 as isize); + *g.offset(19 as isize) = ykyl + *cpy.offset(1 as isize); + *g.offset(36 as isize) = *cpz.offset(0 as isize) * *g.offset(32 as isize); + *g.offset(37 as isize) = *cpz.offset(1 as isize) * *g.offset(33 as isize); + *g.offset(40 as isize) = *cpz.offset(0 as isize) * *g.offset(36 as isize) + *b01.offset(0 as isize) * *g.offset(32 as isize); - *g - .offset( - 41 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(37 as isize) + *g.offset(41 as isize) = *cpz.offset(1 as isize) * *g.offset(37 as isize) + *b01.offset(1 as isize) * *g.offset(33 as isize); - *g - .offset( - 42 as isize, - ) = *g.offset(40 as isize) - * (zkzl + *cpz.offset(0 as isize)) - + 2 as f64 * *b01.offset(0 as isize) - * *g.offset(36 as isize); - *g - .offset( - 43 as isize, - ) = *g.offset(41 as isize) - * (zkzl + *cpz.offset(1 as isize)) - + 2 as f64 * *b01.offset(1 as isize) - * *g.offset(37 as isize); - *g - .offset( - 38 as isize, - ) = *g.offset(36 as isize) - * (zkzl + *cpz.offset(0 as isize)) + *g.offset(42 as isize) = *g.offset(40 as isize) * (zkzl + *cpz.offset(0 as isize)) + + 2 as f64 * *b01.offset(0 as isize) * *g.offset(36 as isize); + *g.offset(43 as isize) = *g.offset(41 as isize) * (zkzl + *cpz.offset(1 as isize)) + + 2 as f64 * *b01.offset(1 as isize) * *g.offset(37 as isize); + *g.offset(38 as isize) = *g.offset(36 as isize) * (zkzl + *cpz.offset(0 as isize)) + *b01.offset(0 as isize) * *g.offset(32 as isize); - *g - .offset( - 39 as isize, - ) = *g.offset(37 as isize) - * (zkzl + *cpz.offset(1 as isize)) + *g.offset(39 as isize) = *g.offset(37 as isize) * (zkzl + *cpz.offset(1 as isize)) + *b01.offset(1 as isize) * *g.offset(33 as isize); - *g - .offset( - 34 as isize, - ) = *g.offset(32 as isize) - * (zkzl + *cpz.offset(0 as isize)); - *g - .offset( - 35 as isize, - ) = *g.offset(33 as isize) - * (zkzl + *cpz.offset(1 as isize)); + *g.offset(34 as isize) = *g.offset(32 as isize) * (zkzl + *cpz.offset(0 as isize)); + *g.offset(35 as isize) = *g.offset(33 as isize) * (zkzl + *cpz.offset(1 as isize)); } #[inline] -unsafe extern "C" fn _g0_2d4d_0020( - mut g: *mut f64, - mut bc: *mut Rys2eT, - _envs: *mut CINTEnvVars, -) { +unsafe extern "C" fn _g0_2d4d_0020(mut g: *mut f64, mut bc: *mut Rys2eT, _envs: *mut CINTEnvVars) { let mut cpx: *mut f64 = ((*bc).c0px).as_mut_ptr(); let mut cpy: *mut f64 = ((*bc).c0py).as_mut_ptr(); let mut cpz: *mut f64 = ((*bc).c0pz).as_mut_ptr(); @@ -1720,55 +1177,23 @@ unsafe extern "C" fn _g0_2d4d_0020( *g.offset(1 as isize) = 1 as f64; *g.offset(2 as isize) = *cpx.offset(0 as isize); *g.offset(3 as isize) = *cpx.offset(1 as isize); - *g - .offset( - 4 as isize, - ) = *cpx.offset(0 as isize) - * *cpx.offset(0 as isize) - + *b01.offset(0 as isize); - *g - .offset( - 5 as isize, - ) = *cpx.offset(1 as isize) - * *cpx.offset(1 as isize) - + *b01.offset(1 as isize); + *g.offset(4 as isize) = + *cpx.offset(0 as isize) * *cpx.offset(0 as isize) + *b01.offset(0 as isize); + *g.offset(5 as isize) = + *cpx.offset(1 as isize) * *cpx.offset(1 as isize) + *b01.offset(1 as isize); *g.offset(6 as isize) = 1 as f64; *g.offset(7 as isize) = 1 as f64; *g.offset(8 as isize) = *cpy.offset(0 as isize); *g.offset(9 as isize) = *cpy.offset(1 as isize); - *g - .offset( - 10 as isize, - ) = *cpy.offset(0 as isize) - * *cpy.offset(0 as isize) - + *b01.offset(0 as isize); - *g - .offset( - 11 as isize, - ) = *cpy.offset(1 as isize) - * *cpy.offset(1 as isize) - + *b01.offset(1 as isize); - *g - .offset( - 14 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(12 as isize); - *g - .offset( - 15 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(13 as isize); - *g - .offset( - 16 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(14 as isize) + *g.offset(10 as isize) = + *cpy.offset(0 as isize) * *cpy.offset(0 as isize) + *b01.offset(0 as isize); + *g.offset(11 as isize) = + *cpy.offset(1 as isize) * *cpy.offset(1 as isize) + *b01.offset(1 as isize); + *g.offset(14 as isize) = *cpz.offset(0 as isize) * *g.offset(12 as isize); + *g.offset(15 as isize) = *cpz.offset(1 as isize) * *g.offset(13 as isize); + *g.offset(16 as isize) = *cpz.offset(0 as isize) * *g.offset(14 as isize) + *b01.offset(0 as isize) * *g.offset(12 as isize); - *g - .offset( - 17 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(15 as isize) + *g.offset(17 as isize) = *cpz.offset(1 as isize) * *g.offset(15 as isize) + *b01.offset(1 as isize) * *g.offset(13 as isize); } #[inline] @@ -1788,161 +1213,57 @@ unsafe extern "C" fn _g0_2d4d_0021( *g.offset(1 as isize) = 1 as f64; *g.offset(2 as isize) = *cpx.offset(0 as isize); *g.offset(3 as isize) = *cpx.offset(1 as isize); - *g - .offset( - 4 as isize, - ) = *cpx.offset(0 as isize) - * *cpx.offset(0 as isize) - + *b01.offset(0 as isize); - *g - .offset( - 5 as isize, - ) = *cpx.offset(1 as isize) - * *cpx.offset(1 as isize) - + *b01.offset(1 as isize); + *g.offset(4 as isize) = + *cpx.offset(0 as isize) * *cpx.offset(0 as isize) + *b01.offset(0 as isize); + *g.offset(5 as isize) = + *cpx.offset(1 as isize) * *cpx.offset(1 as isize) + *b01.offset(1 as isize); *g.offset(8 as isize) = xkxl + *cpx.offset(0 as isize); *g.offset(9 as isize) = xkxl + *cpx.offset(1 as isize); - *g - .offset( - 10 as isize, - ) = *cpx.offset(0 as isize) - * (xkxl + *cpx.offset(0 as isize)) - + *b01.offset(0 as isize); - *g - .offset( - 11 as isize, - ) = *cpx.offset(1 as isize) - * (xkxl + *cpx.offset(1 as isize)) - + *b01.offset(1 as isize); - *g - .offset( - 12 as isize, - ) = *g.offset(4 as isize) - * (xkxl + *cpx.offset(0 as isize)) - + *cpx.offset(0 as isize) * 2 as f64 - * *b01.offset(0 as isize); - *g - .offset( - 13 as isize, - ) = *g.offset(5 as isize) - * (xkxl + *cpx.offset(1 as isize)) - + *cpx.offset(1 as isize) * 2 as f64 - * *b01.offset(1 as isize); + *g.offset(10 as isize) = + *cpx.offset(0 as isize) * (xkxl + *cpx.offset(0 as isize)) + *b01.offset(0 as isize); + *g.offset(11 as isize) = + *cpx.offset(1 as isize) * (xkxl + *cpx.offset(1 as isize)) + *b01.offset(1 as isize); + *g.offset(12 as isize) = *g.offset(4 as isize) * (xkxl + *cpx.offset(0 as isize)) + + *cpx.offset(0 as isize) * 2 as f64 * *b01.offset(0 as isize); + *g.offset(13 as isize) = *g.offset(5 as isize) * (xkxl + *cpx.offset(1 as isize)) + + *cpx.offset(1 as isize) * 2 as f64 * *b01.offset(1 as isize); *g.offset(16 as isize) = 1 as f64; *g.offset(17 as isize) = 1 as f64; *g.offset(18 as isize) = *cpy.offset(0 as isize); *g.offset(19 as isize) = *cpy.offset(1 as isize); - *g - .offset( - 20 as isize, - ) = *cpy.offset(0 as isize) - * *cpy.offset(0 as isize) - + *b01.offset(0 as isize); - *g - .offset( - 21 as isize, - ) = *cpy.offset(1 as isize) - * *cpy.offset(1 as isize) - + *b01.offset(1 as isize); - *g - .offset( - 24 as isize, - ) = ykyl + *cpy.offset(0 as isize); - *g - .offset( - 25 as isize, - ) = ykyl + *cpy.offset(1 as isize); - *g - .offset( - 26 as isize, - ) = *cpy.offset(0 as isize) - * (ykyl + *cpy.offset(0 as isize)) - + *b01.offset(0 as isize); - *g - .offset( - 27 as isize, - ) = *cpy.offset(1 as isize) - * (ykyl + *cpy.offset(1 as isize)) - + *b01.offset(1 as isize); - *g - .offset( - 28 as isize, - ) = *g.offset(20 as isize) - * (ykyl + *cpy.offset(0 as isize)) - + *cpy.offset(0 as isize) * 2 as f64 - * *b01.offset(0 as isize); - *g - .offset( - 29 as isize, - ) = *g.offset(21 as isize) - * (ykyl + *cpy.offset(1 as isize)) - + *cpy.offset(1 as isize) * 2 as f64 - * *b01.offset(1 as isize); - *g - .offset( - 34 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(32 as isize); - *g - .offset( - 35 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(33 as isize); - *g - .offset( - 36 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(34 as isize) + *g.offset(20 as isize) = + *cpy.offset(0 as isize) * *cpy.offset(0 as isize) + *b01.offset(0 as isize); + *g.offset(21 as isize) = + *cpy.offset(1 as isize) * *cpy.offset(1 as isize) + *b01.offset(1 as isize); + *g.offset(24 as isize) = ykyl + *cpy.offset(0 as isize); + *g.offset(25 as isize) = ykyl + *cpy.offset(1 as isize); + *g.offset(26 as isize) = + *cpy.offset(0 as isize) * (ykyl + *cpy.offset(0 as isize)) + *b01.offset(0 as isize); + *g.offset(27 as isize) = + *cpy.offset(1 as isize) * (ykyl + *cpy.offset(1 as isize)) + *b01.offset(1 as isize); + *g.offset(28 as isize) = *g.offset(20 as isize) * (ykyl + *cpy.offset(0 as isize)) + + *cpy.offset(0 as isize) * 2 as f64 * *b01.offset(0 as isize); + *g.offset(29 as isize) = *g.offset(21 as isize) * (ykyl + *cpy.offset(1 as isize)) + + *cpy.offset(1 as isize) * 2 as f64 * *b01.offset(1 as isize); + *g.offset(34 as isize) = *cpz.offset(0 as isize) * *g.offset(32 as isize); + *g.offset(35 as isize) = *cpz.offset(1 as isize) * *g.offset(33 as isize); + *g.offset(36 as isize) = *cpz.offset(0 as isize) * *g.offset(34 as isize) + *b01.offset(0 as isize) * *g.offset(32 as isize); - *g - .offset( - 37 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(35 as isize) + *g.offset(37 as isize) = *cpz.offset(1 as isize) * *g.offset(35 as isize) + *b01.offset(1 as isize) * *g.offset(33 as isize); - *g - .offset( - 40 as isize, - ) = *g.offset(32 as isize) - * (zkzl + *cpz.offset(0 as isize)); - *g - .offset( - 41 as isize, - ) = *g.offset(33 as isize) - * (zkzl + *cpz.offset(1 as isize)); - *g - .offset( - 42 as isize, - ) = *g.offset(34 as isize) - * (zkzl + *cpz.offset(0 as isize)) + *g.offset(40 as isize) = *g.offset(32 as isize) * (zkzl + *cpz.offset(0 as isize)); + *g.offset(41 as isize) = *g.offset(33 as isize) * (zkzl + *cpz.offset(1 as isize)); + *g.offset(42 as isize) = *g.offset(34 as isize) * (zkzl + *cpz.offset(0 as isize)) + *b01.offset(0 as isize) * *g.offset(32 as isize); - *g - .offset( - 43 as isize, - ) = *g.offset(35 as isize) - * (zkzl + *cpz.offset(1 as isize)) + *g.offset(43 as isize) = *g.offset(35 as isize) * (zkzl + *cpz.offset(1 as isize)) + *b01.offset(1 as isize) * *g.offset(33 as isize); - *g - .offset( - 44 as isize, - ) = *g.offset(36 as isize) - * (zkzl + *cpz.offset(0 as isize)) - + 2 as f64 * *b01.offset(0 as isize) - * *g.offset(34 as isize); - *g - .offset( - 45 as isize, - ) = *g.offset(37 as isize) - * (zkzl + *cpz.offset(1 as isize)) - + 2 as f64 * *b01.offset(1 as isize) - * *g.offset(35 as isize); + *g.offset(44 as isize) = *g.offset(36 as isize) * (zkzl + *cpz.offset(0 as isize)) + + 2 as f64 * *b01.offset(0 as isize) * *g.offset(34 as isize); + *g.offset(45 as isize) = *g.offset(37 as isize) * (zkzl + *cpz.offset(1 as isize)) + + 2 as f64 * *b01.offset(1 as isize) * *g.offset(35 as isize); } #[inline] -unsafe extern "C" fn _g0_2d4d_0030( - mut g: *mut f64, - mut bc: *mut Rys2eT, - _envs: *mut CINTEnvVars, -) { +unsafe extern "C" fn _g0_2d4d_0030(mut g: *mut f64, mut bc: *mut Rys2eT, _envs: *mut CINTEnvVars) { let mut cpx: *mut f64 = ((*bc).c0px).as_mut_ptr(); let mut cpy: *mut f64 = ((*bc).c0py).as_mut_ptr(); let mut cpz: *mut f64 = ((*bc).c0pz).as_mut_ptr(); @@ -1951,105 +1272,39 @@ unsafe extern "C" fn _g0_2d4d_0030( *g.offset(1 as isize) = 1 as f64; *g.offset(2 as isize) = *cpx.offset(0 as isize); *g.offset(3 as isize) = *cpx.offset(1 as isize); - *g - .offset( - 4 as isize, - ) = *cpx.offset(0 as isize) - * *cpx.offset(0 as isize) - + *b01.offset(0 as isize); - *g - .offset( - 5 as isize, - ) = *cpx.offset(1 as isize) - * *cpx.offset(1 as isize) - + *b01.offset(1 as isize); - *g - .offset( - 6 as isize, - ) = *cpx.offset(0 as isize) - * (*g.offset(4 as isize) - + 2 as f64 - * *b01.offset(0 as isize)); - *g - .offset( - 7 as isize, - ) = *cpx.offset(1 as isize) - * (*g.offset(5 as isize) - + 2 as f64 - * *b01.offset(1 as isize)); + *g.offset(4 as isize) = + *cpx.offset(0 as isize) * *cpx.offset(0 as isize) + *b01.offset(0 as isize); + *g.offset(5 as isize) = + *cpx.offset(1 as isize) * *cpx.offset(1 as isize) + *b01.offset(1 as isize); + *g.offset(6 as isize) = + *cpx.offset(0 as isize) * (*g.offset(4 as isize) + 2 as f64 * *b01.offset(0 as isize)); + *g.offset(7 as isize) = + *cpx.offset(1 as isize) * (*g.offset(5 as isize) + 2 as f64 * *b01.offset(1 as isize)); *g.offset(8 as isize) = 1 as f64; *g.offset(9 as isize) = 1 as f64; *g.offset(10 as isize) = *cpy.offset(0 as isize); *g.offset(11 as isize) = *cpy.offset(1 as isize); - *g - .offset( - 12 as isize, - ) = *cpy.offset(0 as isize) - * *cpy.offset(0 as isize) - + *b01.offset(0 as isize); - *g - .offset( - 13 as isize, - ) = *cpy.offset(1 as isize) - * *cpy.offset(1 as isize) - + *b01.offset(1 as isize); - *g - .offset( - 14 as isize, - ) = *cpy.offset(0 as isize) - * (*g.offset(12 as isize) - + 2 as f64 - * *b01.offset(0 as isize)); - *g - .offset( - 15 as isize, - ) = *cpy.offset(1 as isize) - * (*g.offset(13 as isize) - + 2 as f64 - * *b01.offset(1 as isize)); - *g - .offset( - 18 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(16 as isize); - *g - .offset( - 19 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(17 as isize); - *g - .offset( - 20 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(18 as isize) + *g.offset(12 as isize) = + *cpy.offset(0 as isize) * *cpy.offset(0 as isize) + *b01.offset(0 as isize); + *g.offset(13 as isize) = + *cpy.offset(1 as isize) * *cpy.offset(1 as isize) + *b01.offset(1 as isize); + *g.offset(14 as isize) = + *cpy.offset(0 as isize) * (*g.offset(12 as isize) + 2 as f64 * *b01.offset(0 as isize)); + *g.offset(15 as isize) = + *cpy.offset(1 as isize) * (*g.offset(13 as isize) + 2 as f64 * *b01.offset(1 as isize)); + *g.offset(18 as isize) = *cpz.offset(0 as isize) * *g.offset(16 as isize); + *g.offset(19 as isize) = *cpz.offset(1 as isize) * *g.offset(17 as isize); + *g.offset(20 as isize) = *cpz.offset(0 as isize) * *g.offset(18 as isize) + *b01.offset(0 as isize) * *g.offset(16 as isize); - *g - .offset( - 21 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(19 as isize) + *g.offset(21 as isize) = *cpz.offset(1 as isize) * *g.offset(19 as isize) + *b01.offset(1 as isize) * *g.offset(17 as isize); - *g - .offset( - 22 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(20 as isize) - + 2 as f64 * *b01.offset(0 as isize) - * *g.offset(18 as isize); - *g - .offset( - 23 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(21 as isize) - + 2 as f64 * *b01.offset(1 as isize) - * *g.offset(19 as isize); + *g.offset(22 as isize) = *cpz.offset(0 as isize) * *g.offset(20 as isize) + + 2 as f64 * *b01.offset(0 as isize) * *g.offset(18 as isize); + *g.offset(23 as isize) = *cpz.offset(1 as isize) * *g.offset(21 as isize) + + 2 as f64 * *b01.offset(1 as isize) * *g.offset(19 as isize); } #[inline] -unsafe extern "C" fn _g0_2d4d_0100( - mut g: *mut f64, - mut bc: *mut Rys2eT, - _envs: *mut CINTEnvVars, -) { +unsafe extern "C" fn _g0_2d4d_0100(mut g: *mut f64, mut bc: *mut Rys2eT, _envs: *mut CINTEnvVars) { let mut c0x: *mut f64 = ((*bc).c00x).as_mut_ptr(); let mut c0y: *mut f64 = ((*bc).c00y).as_mut_ptr(); let mut c0z: *mut f64 = ((*bc).c00z).as_mut_ptr(); @@ -2057,18 +1312,10 @@ unsafe extern "C" fn _g0_2d4d_0100( *g.offset(1 as isize) = *c0x.offset(0 as isize); *g.offset(2 as isize) = 1 as f64; *g.offset(3 as isize) = *c0y.offset(0 as isize); - *g - .offset( - 5 as isize, - ) = *c0z.offset(0 as isize) - * *g.offset(4 as isize); + *g.offset(5 as isize) = *c0z.offset(0 as isize) * *g.offset(4 as isize); } #[inline] -unsafe extern "C" fn _g0_2d4d_0101( - mut g: *mut f64, - mut bc: *mut Rys2eT, - _envs: *mut CINTEnvVars, -) { +unsafe extern "C" fn _g0_2d4d_0101(mut g: *mut f64, mut bc: *mut Rys2eT, _envs: *mut CINTEnvVars) { let mut c0x: *mut f64 = ((*bc).c00x).as_mut_ptr(); let mut c0y: *mut f64 = ((*bc).c00y).as_mut_ptr(); let mut c0z: *mut f64 = ((*bc).c00z).as_mut_ptr(); @@ -2082,75 +1329,31 @@ unsafe extern "C" fn _g0_2d4d_0101( *g.offset(3 as isize) = *cpx.offset(1 as isize); *g.offset(4 as isize) = *c0x.offset(0 as isize); *g.offset(5 as isize) = *c0x.offset(1 as isize); - *g - .offset( - 6 as isize, - ) = *cpx.offset(0 as isize) - * *c0x.offset(0 as isize) - + *b00.offset(0 as isize); - *g - .offset( - 7 as isize, - ) = *cpx.offset(1 as isize) - * *c0x.offset(1 as isize) - + *b00.offset(1 as isize); + *g.offset(6 as isize) = + *cpx.offset(0 as isize) * *c0x.offset(0 as isize) + *b00.offset(0 as isize); + *g.offset(7 as isize) = + *cpx.offset(1 as isize) * *c0x.offset(1 as isize) + *b00.offset(1 as isize); *g.offset(8 as isize) = 1 as f64; *g.offset(9 as isize) = 1 as f64; *g.offset(10 as isize) = *cpy.offset(0 as isize); *g.offset(11 as isize) = *cpy.offset(1 as isize); *g.offset(12 as isize) = *c0y.offset(0 as isize); *g.offset(13 as isize) = *c0y.offset(1 as isize); - *g - .offset( - 14 as isize, - ) = *cpy.offset(0 as isize) - * *c0y.offset(0 as isize) - + *b00.offset(0 as isize); - *g - .offset( - 15 as isize, - ) = *cpy.offset(1 as isize) - * *c0y.offset(1 as isize) - + *b00.offset(1 as isize); - *g - .offset( - 18 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(16 as isize); - *g - .offset( - 19 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(17 as isize); - *g - .offset( - 20 as isize, - ) = *c0z.offset(0 as isize) - * *g.offset(16 as isize); - *g - .offset( - 21 as isize, - ) = *c0z.offset(1 as isize) - * *g.offset(17 as isize); - *g - .offset( - 22 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(20 as isize) + *g.offset(14 as isize) = + *cpy.offset(0 as isize) * *c0y.offset(0 as isize) + *b00.offset(0 as isize); + *g.offset(15 as isize) = + *cpy.offset(1 as isize) * *c0y.offset(1 as isize) + *b00.offset(1 as isize); + *g.offset(18 as isize) = *cpz.offset(0 as isize) * *g.offset(16 as isize); + *g.offset(19 as isize) = *cpz.offset(1 as isize) * *g.offset(17 as isize); + *g.offset(20 as isize) = *c0z.offset(0 as isize) * *g.offset(16 as isize); + *g.offset(21 as isize) = *c0z.offset(1 as isize) * *g.offset(17 as isize); + *g.offset(22 as isize) = *cpz.offset(0 as isize) * *g.offset(20 as isize) + *b00.offset(0 as isize) * *g.offset(16 as isize); - *g - .offset( - 23 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(21 as isize) + *g.offset(23 as isize) = *cpz.offset(1 as isize) * *g.offset(21 as isize) + *b00.offset(1 as isize) * *g.offset(17 as isize); } #[inline] -unsafe extern "C" fn _g0_2d4d_0102( - mut g: *mut f64, - mut bc: *mut Rys2eT, - _envs: *mut CINTEnvVars, -) { +unsafe extern "C" fn _g0_2d4d_0102(mut g: *mut f64, mut bc: *mut Rys2eT, _envs: *mut CINTEnvVars) { let mut c0x: *mut f64 = ((*bc).c00x).as_mut_ptr(); let mut c0y: *mut f64 = ((*bc).c00y).as_mut_ptr(); let mut c0z: *mut f64 = ((*bc).c00z).as_mut_ptr(); @@ -2165,155 +1368,61 @@ unsafe extern "C" fn _g0_2d4d_0102( *g.offset(3 as isize) = *cpx.offset(1 as isize); *g.offset(6 as isize) = *c0x.offset(0 as isize); *g.offset(7 as isize) = *c0x.offset(1 as isize); - *g - .offset( - 4 as isize, - ) = *cpx.offset(0 as isize) - * *cpx.offset(0 as isize) - + *b01.offset(0 as isize); - *g - .offset( - 5 as isize, - ) = *cpx.offset(1 as isize) - * *cpx.offset(1 as isize) - + *b01.offset(1 as isize); - *g - .offset( - 8 as isize, - ) = *cpx.offset(0 as isize) - * *c0x.offset(0 as isize) - + *b00.offset(0 as isize); - *g - .offset( - 9 as isize, - ) = *cpx.offset(1 as isize) - * *c0x.offset(1 as isize) - + *b00.offset(1 as isize); - *g - .offset( - 10 as isize, - ) = *cpx.offset(0 as isize) + *g.offset(4 as isize) = + *cpx.offset(0 as isize) * *cpx.offset(0 as isize) + *b01.offset(0 as isize); + *g.offset(5 as isize) = + *cpx.offset(1 as isize) * *cpx.offset(1 as isize) + *b01.offset(1 as isize); + *g.offset(8 as isize) = + *cpx.offset(0 as isize) * *c0x.offset(0 as isize) + *b00.offset(0 as isize); + *g.offset(9 as isize) = + *cpx.offset(1 as isize) * *c0x.offset(1 as isize) + *b00.offset(1 as isize); + *g.offset(10 as isize) = *cpx.offset(0 as isize) * (*g.offset(8 as isize) + *b00.offset(0 as isize)) - + *b01.offset(0 as isize) - * *c0x.offset(0 as isize); - *g - .offset( - 11 as isize, - ) = *cpx.offset(1 as isize) + + *b01.offset(0 as isize) * *c0x.offset(0 as isize); + *g.offset(11 as isize) = *cpx.offset(1 as isize) * (*g.offset(9 as isize) + *b00.offset(1 as isize)) - + *b01.offset(1 as isize) - * *c0x.offset(1 as isize); + + *b01.offset(1 as isize) * *c0x.offset(1 as isize); *g.offset(12 as isize) = 1 as f64; *g.offset(13 as isize) = 1 as f64; *g.offset(14 as isize) = *cpy.offset(0 as isize); *g.offset(15 as isize) = *cpy.offset(1 as isize); *g.offset(18 as isize) = *c0y.offset(0 as isize); *g.offset(19 as isize) = *c0y.offset(1 as isize); - *g - .offset( - 16 as isize, - ) = *cpy.offset(0 as isize) - * *cpy.offset(0 as isize) - + *b01.offset(0 as isize); - *g - .offset( - 17 as isize, - ) = *cpy.offset(1 as isize) - * *cpy.offset(1 as isize) - + *b01.offset(1 as isize); - *g - .offset( - 20 as isize, - ) = *cpy.offset(0 as isize) - * *c0y.offset(0 as isize) - + *b00.offset(0 as isize); - *g - .offset( - 21 as isize, - ) = *cpy.offset(1 as isize) - * *c0y.offset(1 as isize) - + *b00.offset(1 as isize); - *g - .offset( - 22 as isize, - ) = *cpy.offset(0 as isize) - * (*g.offset(20 as isize) - + *b00.offset(0 as isize)) - + *b01.offset(0 as isize) - * *c0y.offset(0 as isize); - *g - .offset( - 23 as isize, - ) = *cpy.offset(1 as isize) - * (*g.offset(21 as isize) - + *b00.offset(1 as isize)) - + *b01.offset(1 as isize) - * *c0y.offset(1 as isize); - *g - .offset( - 26 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(24 as isize); - *g - .offset( - 27 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(25 as isize); - *g - .offset( - 30 as isize, - ) = *c0z.offset(0 as isize) - * *g.offset(24 as isize); - *g - .offset( - 31 as isize, - ) = *c0z.offset(1 as isize) - * *g.offset(25 as isize); - *g - .offset( - 28 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(26 as isize) + *g.offset(16 as isize) = + *cpy.offset(0 as isize) * *cpy.offset(0 as isize) + *b01.offset(0 as isize); + *g.offset(17 as isize) = + *cpy.offset(1 as isize) * *cpy.offset(1 as isize) + *b01.offset(1 as isize); + *g.offset(20 as isize) = + *cpy.offset(0 as isize) * *c0y.offset(0 as isize) + *b00.offset(0 as isize); + *g.offset(21 as isize) = + *cpy.offset(1 as isize) * *c0y.offset(1 as isize) + *b00.offset(1 as isize); + *g.offset(22 as isize) = *cpy.offset(0 as isize) + * (*g.offset(20 as isize) + *b00.offset(0 as isize)) + + *b01.offset(0 as isize) * *c0y.offset(0 as isize); + *g.offset(23 as isize) = *cpy.offset(1 as isize) + * (*g.offset(21 as isize) + *b00.offset(1 as isize)) + + *b01.offset(1 as isize) * *c0y.offset(1 as isize); + *g.offset(26 as isize) = *cpz.offset(0 as isize) * *g.offset(24 as isize); + *g.offset(27 as isize) = *cpz.offset(1 as isize) * *g.offset(25 as isize); + *g.offset(30 as isize) = *c0z.offset(0 as isize) * *g.offset(24 as isize); + *g.offset(31 as isize) = *c0z.offset(1 as isize) * *g.offset(25 as isize); + *g.offset(28 as isize) = *cpz.offset(0 as isize) * *g.offset(26 as isize) + *b01.offset(0 as isize) * *g.offset(24 as isize); - *g - .offset( - 29 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(27 as isize) + *g.offset(29 as isize) = *cpz.offset(1 as isize) * *g.offset(27 as isize) + *b01.offset(1 as isize) * *g.offset(25 as isize); - *g - .offset( - 32 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(30 as isize) + *g.offset(32 as isize) = *cpz.offset(0 as isize) * *g.offset(30 as isize) + *b00.offset(0 as isize) * *g.offset(24 as isize); - *g - .offset( - 33 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(31 as isize) + *g.offset(33 as isize) = *cpz.offset(1 as isize) * *g.offset(31 as isize) + *b00.offset(1 as isize) * *g.offset(25 as isize); - *g - .offset( - 34 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(32 as isize) + *g.offset(34 as isize) = *cpz.offset(0 as isize) * *g.offset(32 as isize) + *b01.offset(0 as isize) * *g.offset(30 as isize) + *b00.offset(0 as isize) * *g.offset(26 as isize); - *g - .offset( - 35 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(33 as isize) + *g.offset(35 as isize) = *cpz.offset(1 as isize) * *g.offset(33 as isize) + *b01.offset(1 as isize) * *g.offset(31 as isize) + *b00.offset(1 as isize) * *g.offset(27 as isize); } #[inline] -unsafe extern "C" fn _g0_2d4d_0110( - mut g: *mut f64, - mut bc: *mut Rys2eT, - _envs: *mut CINTEnvVars, -) { +unsafe extern "C" fn _g0_2d4d_0110(mut g: *mut f64, mut bc: *mut Rys2eT, _envs: *mut CINTEnvVars) { let mut c0x: *mut f64 = ((*bc).c00x).as_mut_ptr(); let mut c0y: *mut f64 = ((*bc).c00y).as_mut_ptr(); let mut c0z: *mut f64 = ((*bc).c00z).as_mut_ptr(); @@ -2327,67 +1436,27 @@ unsafe extern "C" fn _g0_2d4d_0110( *g.offset(3 as isize) = *cpx.offset(1 as isize); *g.offset(4 as isize) = *c0x.offset(0 as isize); *g.offset(5 as isize) = *c0x.offset(1 as isize); - *g - .offset( - 6 as isize, - ) = *cpx.offset(0 as isize) - * *c0x.offset(0 as isize) - + *b00.offset(0 as isize); - *g - .offset( - 7 as isize, - ) = *cpx.offset(1 as isize) - * *c0x.offset(1 as isize) - + *b00.offset(1 as isize); + *g.offset(6 as isize) = + *cpx.offset(0 as isize) * *c0x.offset(0 as isize) + *b00.offset(0 as isize); + *g.offset(7 as isize) = + *cpx.offset(1 as isize) * *c0x.offset(1 as isize) + *b00.offset(1 as isize); *g.offset(8 as isize) = 1 as f64; *g.offset(9 as isize) = 1 as f64; *g.offset(10 as isize) = *cpy.offset(0 as isize); *g.offset(11 as isize) = *cpy.offset(1 as isize); *g.offset(12 as isize) = *c0y.offset(0 as isize); *g.offset(13 as isize) = *c0y.offset(1 as isize); - *g - .offset( - 14 as isize, - ) = *cpy.offset(0 as isize) - * *c0y.offset(0 as isize) - + *b00.offset(0 as isize); - *g - .offset( - 15 as isize, - ) = *cpy.offset(1 as isize) - * *c0y.offset(1 as isize) - + *b00.offset(1 as isize); - *g - .offset( - 18 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(16 as isize); - *g - .offset( - 19 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(17 as isize); - *g - .offset( - 20 as isize, - ) = *c0z.offset(0 as isize) - * *g.offset(16 as isize); - *g - .offset( - 21 as isize, - ) = *c0z.offset(1 as isize) - * *g.offset(17 as isize); - *g - .offset( - 22 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(20 as isize) + *g.offset(14 as isize) = + *cpy.offset(0 as isize) * *c0y.offset(0 as isize) + *b00.offset(0 as isize); + *g.offset(15 as isize) = + *cpy.offset(1 as isize) * *c0y.offset(1 as isize) + *b00.offset(1 as isize); + *g.offset(18 as isize) = *cpz.offset(0 as isize) * *g.offset(16 as isize); + *g.offset(19 as isize) = *cpz.offset(1 as isize) * *g.offset(17 as isize); + *g.offset(20 as isize) = *c0z.offset(0 as isize) * *g.offset(16 as isize); + *g.offset(21 as isize) = *c0z.offset(1 as isize) * *g.offset(17 as isize); + *g.offset(22 as isize) = *cpz.offset(0 as isize) * *g.offset(20 as isize) + *b00.offset(0 as isize) * *g.offset(16 as isize); - *g - .offset( - 23 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(21 as isize) + *g.offset(23 as isize) = *cpz.offset(1 as isize) * *g.offset(21 as isize) + *b00.offset(1 as isize) * *g.offset(17 as isize); } #[inline] @@ -2413,213 +1482,79 @@ unsafe extern "C" fn _g0_2d4d_0111( *g.offset(13 as isize) = *c0x.offset(1 as isize); *g.offset(4 as isize) = *cpx.offset(0 as isize); *g.offset(5 as isize) = *cpx.offset(1 as isize); - *g - .offset( - 16 as isize, - ) = *cpx.offset(0 as isize) - * *c0x.offset(0 as isize) - + *b00.offset(0 as isize); - *g - .offset( - 17 as isize, - ) = *cpx.offset(1 as isize) - * *c0x.offset(1 as isize) - + *b00.offset(1 as isize); - *g - .offset( - 6 as isize, - ) = *cpx.offset(0 as isize) - * (xkxl + *cpx.offset(0 as isize)) - + *b01.offset(0 as isize); - *g - .offset( - 7 as isize, - ) = *cpx.offset(1 as isize) - * (xkxl + *cpx.offset(1 as isize)) - + *b01.offset(1 as isize); - *g - .offset( - 18 as isize, - ) = *g.offset(16 as isize) - * (xkxl + *cpx.offset(0 as isize)) + *g.offset(16 as isize) = + *cpx.offset(0 as isize) * *c0x.offset(0 as isize) + *b00.offset(0 as isize); + *g.offset(17 as isize) = + *cpx.offset(1 as isize) * *c0x.offset(1 as isize) + *b00.offset(1 as isize); + *g.offset(6 as isize) = + *cpx.offset(0 as isize) * (xkxl + *cpx.offset(0 as isize)) + *b01.offset(0 as isize); + *g.offset(7 as isize) = + *cpx.offset(1 as isize) * (xkxl + *cpx.offset(1 as isize)) + *b01.offset(1 as isize); + *g.offset(18 as isize) = *g.offset(16 as isize) * (xkxl + *cpx.offset(0 as isize)) + *cpx.offset(0 as isize) * *b00.offset(0 as isize) - + *b01.offset(0 as isize) - * *c0x.offset(0 as isize); - *g - .offset( - 19 as isize, - ) = *g.offset(17 as isize) - * (xkxl + *cpx.offset(1 as isize)) + + *b01.offset(0 as isize) * *c0x.offset(0 as isize); + *g.offset(19 as isize) = *g.offset(17 as isize) * (xkxl + *cpx.offset(1 as isize)) + *cpx.offset(1 as isize) * *b00.offset(1 as isize) - + *b01.offset(1 as isize) - * *c0x.offset(1 as isize); + + *b01.offset(1 as isize) * *c0x.offset(1 as isize); *g.offset(2 as isize) = xkxl + *cpx.offset(0 as isize); *g.offset(3 as isize) = xkxl + *cpx.offset(1 as isize); - *g - .offset( - 14 as isize, - ) = *c0x.offset(0 as isize) - * (xkxl + *cpx.offset(0 as isize)) - + *b00.offset(0 as isize); - *g - .offset( - 15 as isize, - ) = *c0x.offset(1 as isize) - * (xkxl + *cpx.offset(1 as isize)) - + *b00.offset(1 as isize); + *g.offset(14 as isize) = + *c0x.offset(0 as isize) * (xkxl + *cpx.offset(0 as isize)) + *b00.offset(0 as isize); + *g.offset(15 as isize) = + *c0x.offset(1 as isize) * (xkxl + *cpx.offset(1 as isize)) + *b00.offset(1 as isize); *g.offset(24 as isize) = 1 as f64; *g.offset(25 as isize) = 1 as f64; *g.offset(36 as isize) = *c0y.offset(0 as isize); *g.offset(37 as isize) = *c0y.offset(1 as isize); *g.offset(28 as isize) = *cpy.offset(0 as isize); *g.offset(29 as isize) = *cpy.offset(1 as isize); - *g - .offset( - 40 as isize, - ) = *cpy.offset(0 as isize) - * *c0y.offset(0 as isize) - + *b00.offset(0 as isize); - *g - .offset( - 41 as isize, - ) = *cpy.offset(1 as isize) - * *c0y.offset(1 as isize) - + *b00.offset(1 as isize); - *g - .offset( - 30 as isize, - ) = *cpy.offset(0 as isize) - * (ykyl + *cpy.offset(0 as isize)) - + *b01.offset(0 as isize); - *g - .offset( - 31 as isize, - ) = *cpy.offset(1 as isize) - * (ykyl + *cpy.offset(1 as isize)) - + *b01.offset(1 as isize); - *g - .offset( - 42 as isize, - ) = *g.offset(40 as isize) - * (ykyl + *cpy.offset(0 as isize)) + *g.offset(40 as isize) = + *cpy.offset(0 as isize) * *c0y.offset(0 as isize) + *b00.offset(0 as isize); + *g.offset(41 as isize) = + *cpy.offset(1 as isize) * *c0y.offset(1 as isize) + *b00.offset(1 as isize); + *g.offset(30 as isize) = + *cpy.offset(0 as isize) * (ykyl + *cpy.offset(0 as isize)) + *b01.offset(0 as isize); + *g.offset(31 as isize) = + *cpy.offset(1 as isize) * (ykyl + *cpy.offset(1 as isize)) + *b01.offset(1 as isize); + *g.offset(42 as isize) = *g.offset(40 as isize) * (ykyl + *cpy.offset(0 as isize)) + *cpy.offset(0 as isize) * *b00.offset(0 as isize) - + *b01.offset(0 as isize) - * *c0y.offset(0 as isize); - *g - .offset( - 43 as isize, - ) = *g.offset(41 as isize) - * (ykyl + *cpy.offset(1 as isize)) + + *b01.offset(0 as isize) * *c0y.offset(0 as isize); + *g.offset(43 as isize) = *g.offset(41 as isize) * (ykyl + *cpy.offset(1 as isize)) + *cpy.offset(1 as isize) * *b00.offset(1 as isize) - + *b01.offset(1 as isize) - * *c0y.offset(1 as isize); - *g - .offset( - 26 as isize, - ) = ykyl + *cpy.offset(0 as isize); - *g - .offset( - 27 as isize, - ) = ykyl + *cpy.offset(1 as isize); - *g - .offset( - 38 as isize, - ) = *c0y.offset(0 as isize) - * (ykyl + *cpy.offset(0 as isize)) - + *b00.offset(0 as isize); - *g - .offset( - 39 as isize, - ) = *c0y.offset(1 as isize) - * (ykyl + *cpy.offset(1 as isize)) - + *b00.offset(1 as isize); - *g - .offset( - 60 as isize, - ) = *c0z.offset(0 as isize) - * *g.offset(48 as isize); - *g - .offset( - 61 as isize, - ) = *c0z.offset(1 as isize) - * *g.offset(49 as isize); - *g - .offset( - 52 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(48 as isize); - *g - .offset( - 53 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(49 as isize); - *g - .offset( - 64 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(60 as isize) + + *b01.offset(1 as isize) * *c0y.offset(1 as isize); + *g.offset(26 as isize) = ykyl + *cpy.offset(0 as isize); + *g.offset(27 as isize) = ykyl + *cpy.offset(1 as isize); + *g.offset(38 as isize) = + *c0y.offset(0 as isize) * (ykyl + *cpy.offset(0 as isize)) + *b00.offset(0 as isize); + *g.offset(39 as isize) = + *c0y.offset(1 as isize) * (ykyl + *cpy.offset(1 as isize)) + *b00.offset(1 as isize); + *g.offset(60 as isize) = *c0z.offset(0 as isize) * *g.offset(48 as isize); + *g.offset(61 as isize) = *c0z.offset(1 as isize) * *g.offset(49 as isize); + *g.offset(52 as isize) = *cpz.offset(0 as isize) * *g.offset(48 as isize); + *g.offset(53 as isize) = *cpz.offset(1 as isize) * *g.offset(49 as isize); + *g.offset(64 as isize) = *cpz.offset(0 as isize) * *g.offset(60 as isize) + *b00.offset(0 as isize) * *g.offset(48 as isize); - *g - .offset( - 65 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(61 as isize) + *g.offset(65 as isize) = *cpz.offset(1 as isize) * *g.offset(61 as isize) + *b00.offset(1 as isize) * *g.offset(49 as isize); - *g - .offset( - 54 as isize, - ) = *g.offset(52 as isize) - * (zkzl + *cpz.offset(0 as isize)) + *g.offset(54 as isize) = *g.offset(52 as isize) * (zkzl + *cpz.offset(0 as isize)) + *b01.offset(0 as isize) * *g.offset(48 as isize); - *g - .offset( - 55 as isize, - ) = *g.offset(53 as isize) - * (zkzl + *cpz.offset(1 as isize)) + *g.offset(55 as isize) = *g.offset(53 as isize) * (zkzl + *cpz.offset(1 as isize)) + *b01.offset(1 as isize) * *g.offset(49 as isize); - *g - .offset( - 66 as isize, - ) = *g.offset(64 as isize) - * (zkzl + *cpz.offset(0 as isize)) + *g.offset(66 as isize) = *g.offset(64 as isize) * (zkzl + *cpz.offset(0 as isize)) + *b01.offset(0 as isize) * *g.offset(60 as isize) + *b00.offset(0 as isize) * *g.offset(52 as isize); - *g - .offset( - 67 as isize, - ) = *g.offset(65 as isize) - * (zkzl + *cpz.offset(1 as isize)) + *g.offset(67 as isize) = *g.offset(65 as isize) * (zkzl + *cpz.offset(1 as isize)) + *b01.offset(1 as isize) * *g.offset(61 as isize) + *b00.offset(1 as isize) * *g.offset(53 as isize); - *g - .offset( - 50 as isize, - ) = *g.offset(48 as isize) - * (zkzl + *cpz.offset(0 as isize)); - *g - .offset( - 51 as isize, - ) = *g.offset(49 as isize) - * (zkzl + *cpz.offset(1 as isize)); - *g - .offset( - 62 as isize, - ) = *g.offset(60 as isize) - * (zkzl + *cpz.offset(0 as isize)) + *g.offset(50 as isize) = *g.offset(48 as isize) * (zkzl + *cpz.offset(0 as isize)); + *g.offset(51 as isize) = *g.offset(49 as isize) * (zkzl + *cpz.offset(1 as isize)); + *g.offset(62 as isize) = *g.offset(60 as isize) * (zkzl + *cpz.offset(0 as isize)) + *b00.offset(0 as isize) * *g.offset(48 as isize); - *g - .offset( - 63 as isize, - ) = *g.offset(61 as isize) - * (zkzl + *cpz.offset(1 as isize)) + *g.offset(63 as isize) = *g.offset(61 as isize) * (zkzl + *cpz.offset(1 as isize)) + *b00.offset(1 as isize) * *g.offset(49 as isize); } #[inline] -unsafe extern "C" fn _g0_2d4d_0120( - mut g: *mut f64, - mut bc: *mut Rys2eT, - _envs: *mut CINTEnvVars, -) { +unsafe extern "C" fn _g0_2d4d_0120(mut g: *mut f64, mut bc: *mut Rys2eT, _envs: *mut CINTEnvVars) { let mut c0x: *mut f64 = ((*bc).c00x).as_mut_ptr(); let mut c0y: *mut f64 = ((*bc).c00y).as_mut_ptr(); let mut c0z: *mut f64 = ((*bc).c00z).as_mut_ptr(); @@ -2634,155 +1569,61 @@ unsafe extern "C" fn _g0_2d4d_0120( *g.offset(3 as isize) = *cpx.offset(1 as isize); *g.offset(6 as isize) = *c0x.offset(0 as isize); *g.offset(7 as isize) = *c0x.offset(1 as isize); - *g - .offset( - 4 as isize, - ) = *cpx.offset(0 as isize) - * *cpx.offset(0 as isize) - + *b01.offset(0 as isize); - *g - .offset( - 5 as isize, - ) = *cpx.offset(1 as isize) - * *cpx.offset(1 as isize) - + *b01.offset(1 as isize); - *g - .offset( - 8 as isize, - ) = *cpx.offset(0 as isize) - * *c0x.offset(0 as isize) - + *b00.offset(0 as isize); - *g - .offset( - 9 as isize, - ) = *cpx.offset(1 as isize) - * *c0x.offset(1 as isize) - + *b00.offset(1 as isize); - *g - .offset( - 10 as isize, - ) = *cpx.offset(0 as isize) + *g.offset(4 as isize) = + *cpx.offset(0 as isize) * *cpx.offset(0 as isize) + *b01.offset(0 as isize); + *g.offset(5 as isize) = + *cpx.offset(1 as isize) * *cpx.offset(1 as isize) + *b01.offset(1 as isize); + *g.offset(8 as isize) = + *cpx.offset(0 as isize) * *c0x.offset(0 as isize) + *b00.offset(0 as isize); + *g.offset(9 as isize) = + *cpx.offset(1 as isize) * *c0x.offset(1 as isize) + *b00.offset(1 as isize); + *g.offset(10 as isize) = *cpx.offset(0 as isize) * (*g.offset(8 as isize) + *b00.offset(0 as isize)) - + *b01.offset(0 as isize) - * *c0x.offset(0 as isize); - *g - .offset( - 11 as isize, - ) = *cpx.offset(1 as isize) + + *b01.offset(0 as isize) * *c0x.offset(0 as isize); + *g.offset(11 as isize) = *cpx.offset(1 as isize) * (*g.offset(9 as isize) + *b00.offset(1 as isize)) - + *b01.offset(1 as isize) - * *c0x.offset(1 as isize); + + *b01.offset(1 as isize) * *c0x.offset(1 as isize); *g.offset(12 as isize) = 1 as f64; *g.offset(13 as isize) = 1 as f64; *g.offset(14 as isize) = *cpy.offset(0 as isize); *g.offset(15 as isize) = *cpy.offset(1 as isize); *g.offset(18 as isize) = *c0y.offset(0 as isize); *g.offset(19 as isize) = *c0y.offset(1 as isize); - *g - .offset( - 16 as isize, - ) = *cpy.offset(0 as isize) - * *cpy.offset(0 as isize) - + *b01.offset(0 as isize); - *g - .offset( - 17 as isize, - ) = *cpy.offset(1 as isize) - * *cpy.offset(1 as isize) - + *b01.offset(1 as isize); - *g - .offset( - 20 as isize, - ) = *cpy.offset(0 as isize) - * *c0y.offset(0 as isize) - + *b00.offset(0 as isize); - *g - .offset( - 21 as isize, - ) = *cpy.offset(1 as isize) - * *c0y.offset(1 as isize) - + *b00.offset(1 as isize); - *g - .offset( - 22 as isize, - ) = *cpy.offset(0 as isize) - * (*g.offset(20 as isize) - + *b00.offset(0 as isize)) - + *b01.offset(0 as isize) - * *c0y.offset(0 as isize); - *g - .offset( - 23 as isize, - ) = *cpy.offset(1 as isize) - * (*g.offset(21 as isize) - + *b00.offset(1 as isize)) - + *b01.offset(1 as isize) - * *c0y.offset(1 as isize); - *g - .offset( - 26 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(24 as isize); - *g - .offset( - 27 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(25 as isize); - *g - .offset( - 30 as isize, - ) = *c0z.offset(0 as isize) - * *g.offset(24 as isize); - *g - .offset( - 31 as isize, - ) = *c0z.offset(1 as isize) - * *g.offset(25 as isize); - *g - .offset( - 28 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(26 as isize) + *g.offset(16 as isize) = + *cpy.offset(0 as isize) * *cpy.offset(0 as isize) + *b01.offset(0 as isize); + *g.offset(17 as isize) = + *cpy.offset(1 as isize) * *cpy.offset(1 as isize) + *b01.offset(1 as isize); + *g.offset(20 as isize) = + *cpy.offset(0 as isize) * *c0y.offset(0 as isize) + *b00.offset(0 as isize); + *g.offset(21 as isize) = + *cpy.offset(1 as isize) * *c0y.offset(1 as isize) + *b00.offset(1 as isize); + *g.offset(22 as isize) = *cpy.offset(0 as isize) + * (*g.offset(20 as isize) + *b00.offset(0 as isize)) + + *b01.offset(0 as isize) * *c0y.offset(0 as isize); + *g.offset(23 as isize) = *cpy.offset(1 as isize) + * (*g.offset(21 as isize) + *b00.offset(1 as isize)) + + *b01.offset(1 as isize) * *c0y.offset(1 as isize); + *g.offset(26 as isize) = *cpz.offset(0 as isize) * *g.offset(24 as isize); + *g.offset(27 as isize) = *cpz.offset(1 as isize) * *g.offset(25 as isize); + *g.offset(30 as isize) = *c0z.offset(0 as isize) * *g.offset(24 as isize); + *g.offset(31 as isize) = *c0z.offset(1 as isize) * *g.offset(25 as isize); + *g.offset(28 as isize) = *cpz.offset(0 as isize) * *g.offset(26 as isize) + *b01.offset(0 as isize) * *g.offset(24 as isize); - *g - .offset( - 29 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(27 as isize) + *g.offset(29 as isize) = *cpz.offset(1 as isize) * *g.offset(27 as isize) + *b01.offset(1 as isize) * *g.offset(25 as isize); - *g - .offset( - 32 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(30 as isize) + *g.offset(32 as isize) = *cpz.offset(0 as isize) * *g.offset(30 as isize) + *b00.offset(0 as isize) * *g.offset(24 as isize); - *g - .offset( - 33 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(31 as isize) + *g.offset(33 as isize) = *cpz.offset(1 as isize) * *g.offset(31 as isize) + *b00.offset(1 as isize) * *g.offset(25 as isize); - *g - .offset( - 34 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(32 as isize) + *g.offset(34 as isize) = *cpz.offset(0 as isize) * *g.offset(32 as isize) + *b01.offset(0 as isize) * *g.offset(30 as isize) + *b00.offset(0 as isize) * *g.offset(26 as isize); - *g - .offset( - 35 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(33 as isize) + *g.offset(35 as isize) = *cpz.offset(1 as isize) * *g.offset(33 as isize) + *b01.offset(1 as isize) * *g.offset(31 as isize) + *b00.offset(1 as isize) * *g.offset(27 as isize); } #[inline] -unsafe extern "C" fn _g0_2d4d_0200( - mut g: *mut f64, - mut bc: *mut Rys2eT, - _envs: *mut CINTEnvVars, -) { +unsafe extern "C" fn _g0_2d4d_0200(mut g: *mut f64, mut bc: *mut Rys2eT, _envs: *mut CINTEnvVars) { let mut c0x: *mut f64 = ((*bc).c00x).as_mut_ptr(); let mut c0y: *mut f64 = ((*bc).c00y).as_mut_ptr(); let mut c0z: *mut f64 = ((*bc).c00z).as_mut_ptr(); @@ -2791,63 +1632,27 @@ unsafe extern "C" fn _g0_2d4d_0200( *g.offset(1 as isize) = 1 as f64; *g.offset(2 as isize) = *c0x.offset(0 as isize); *g.offset(3 as isize) = *c0x.offset(1 as isize); - *g - .offset( - 4 as isize, - ) = *c0x.offset(0 as isize) - * *c0x.offset(0 as isize) - + *b10.offset(0 as isize); - *g - .offset( - 5 as isize, - ) = *c0x.offset(1 as isize) - * *c0x.offset(1 as isize) - + *b10.offset(1 as isize); + *g.offset(4 as isize) = + *c0x.offset(0 as isize) * *c0x.offset(0 as isize) + *b10.offset(0 as isize); + *g.offset(5 as isize) = + *c0x.offset(1 as isize) * *c0x.offset(1 as isize) + *b10.offset(1 as isize); *g.offset(6 as isize) = 1 as f64; *g.offset(7 as isize) = 1 as f64; *g.offset(8 as isize) = *c0y.offset(0 as isize); *g.offset(9 as isize) = *c0y.offset(1 as isize); - *g - .offset( - 10 as isize, - ) = *c0y.offset(0 as isize) - * *c0y.offset(0 as isize) - + *b10.offset(0 as isize); - *g - .offset( - 11 as isize, - ) = *c0y.offset(1 as isize) - * *c0y.offset(1 as isize) - + *b10.offset(1 as isize); - *g - .offset( - 14 as isize, - ) = *c0z.offset(0 as isize) - * *g.offset(12 as isize); - *g - .offset( - 15 as isize, - ) = *c0z.offset(1 as isize) - * *g.offset(13 as isize); - *g - .offset( - 16 as isize, - ) = *c0z.offset(0 as isize) - * *g.offset(14 as isize) + *g.offset(10 as isize) = + *c0y.offset(0 as isize) * *c0y.offset(0 as isize) + *b10.offset(0 as isize); + *g.offset(11 as isize) = + *c0y.offset(1 as isize) * *c0y.offset(1 as isize) + *b10.offset(1 as isize); + *g.offset(14 as isize) = *c0z.offset(0 as isize) * *g.offset(12 as isize); + *g.offset(15 as isize) = *c0z.offset(1 as isize) * *g.offset(13 as isize); + *g.offset(16 as isize) = *c0z.offset(0 as isize) * *g.offset(14 as isize) + *b10.offset(0 as isize) * *g.offset(12 as isize); - *g - .offset( - 17 as isize, - ) = *c0z.offset(1 as isize) - * *g.offset(15 as isize) + *g.offset(17 as isize) = *c0z.offset(1 as isize) * *g.offset(15 as isize) + *b10.offset(1 as isize) * *g.offset(13 as isize); } #[inline] -unsafe extern "C" fn _g0_2d4d_0201( - mut g: *mut f64, - mut bc: *mut Rys2eT, - _envs: *mut CINTEnvVars, -) { +unsafe extern "C" fn _g0_2d4d_0201(mut g: *mut f64, mut bc: *mut Rys2eT, _envs: *mut CINTEnvVars) { let mut c0x: *mut f64 = ((*bc).c00x).as_mut_ptr(); let mut c0y: *mut f64 = ((*bc).c00y).as_mut_ptr(); let mut c0z: *mut f64 = ((*bc).c00z).as_mut_ptr(); @@ -2860,157 +1665,63 @@ unsafe extern "C" fn _g0_2d4d_0201( *g.offset(1 as isize) = 1 as f64; *g.offset(4 as isize) = *c0x.offset(0 as isize); *g.offset(5 as isize) = *c0x.offset(1 as isize); - *g - .offset( - 8 as isize, - ) = *c0x.offset(0 as isize) - * *c0x.offset(0 as isize) - + *b10.offset(0 as isize); - *g - .offset( - 9 as isize, - ) = *c0x.offset(1 as isize) - * *c0x.offset(1 as isize) - + *b10.offset(1 as isize); + *g.offset(8 as isize) = + *c0x.offset(0 as isize) * *c0x.offset(0 as isize) + *b10.offset(0 as isize); + *g.offset(9 as isize) = + *c0x.offset(1 as isize) * *c0x.offset(1 as isize) + *b10.offset(1 as isize); *g.offset(2 as isize) = *cpx.offset(0 as isize); *g.offset(3 as isize) = *cpx.offset(1 as isize); - *g - .offset( - 6 as isize, - ) = *cpx.offset(0 as isize) - * *c0x.offset(0 as isize) - + *b00.offset(0 as isize); - *g - .offset( - 7 as isize, - ) = *cpx.offset(1 as isize) - * *c0x.offset(1 as isize) - + *b00.offset(1 as isize); - *g - .offset( - 10 as isize, - ) = *c0x.offset(0 as isize) + *g.offset(6 as isize) = + *cpx.offset(0 as isize) * *c0x.offset(0 as isize) + *b00.offset(0 as isize); + *g.offset(7 as isize) = + *cpx.offset(1 as isize) * *c0x.offset(1 as isize) + *b00.offset(1 as isize); + *g.offset(10 as isize) = *c0x.offset(0 as isize) * (*g.offset(6 as isize) + *b00.offset(0 as isize)) - + *b10.offset(0 as isize) - * *cpx.offset(0 as isize); - *g - .offset( - 11 as isize, - ) = *c0x.offset(1 as isize) + + *b10.offset(0 as isize) * *cpx.offset(0 as isize); + *g.offset(11 as isize) = *c0x.offset(1 as isize) * (*g.offset(7 as isize) + *b00.offset(1 as isize)) - + *b10.offset(1 as isize) - * *cpx.offset(1 as isize); + + *b10.offset(1 as isize) * *cpx.offset(1 as isize); *g.offset(12 as isize) = 1 as f64; *g.offset(13 as isize) = 1 as f64; *g.offset(16 as isize) = *c0y.offset(0 as isize); *g.offset(17 as isize) = *c0y.offset(1 as isize); - *g - .offset( - 20 as isize, - ) = *c0y.offset(0 as isize) - * *c0y.offset(0 as isize) - + *b10.offset(0 as isize); - *g - .offset( - 21 as isize, - ) = *c0y.offset(1 as isize) - * *c0y.offset(1 as isize) - + *b10.offset(1 as isize); + *g.offset(20 as isize) = + *c0y.offset(0 as isize) * *c0y.offset(0 as isize) + *b10.offset(0 as isize); + *g.offset(21 as isize) = + *c0y.offset(1 as isize) * *c0y.offset(1 as isize) + *b10.offset(1 as isize); *g.offset(14 as isize) = *cpy.offset(0 as isize); *g.offset(15 as isize) = *cpy.offset(1 as isize); - *g - .offset( - 18 as isize, - ) = *cpy.offset(0 as isize) - * *c0y.offset(0 as isize) - + *b00.offset(0 as isize); - *g - .offset( - 19 as isize, - ) = *cpy.offset(1 as isize) - * *c0y.offset(1 as isize) - + *b00.offset(1 as isize); - *g - .offset( - 22 as isize, - ) = *c0y.offset(0 as isize) - * (*g.offset(18 as isize) - + *b00.offset(0 as isize)) - + *b10.offset(0 as isize) - * *cpy.offset(0 as isize); - *g - .offset( - 23 as isize, - ) = *c0y.offset(1 as isize) - * (*g.offset(19 as isize) - + *b00.offset(1 as isize)) - + *b10.offset(1 as isize) - * *cpy.offset(1 as isize); - *g - .offset( - 28 as isize, - ) = *c0z.offset(0 as isize) - * *g.offset(24 as isize); - *g - .offset( - 29 as isize, - ) = *c0z.offset(1 as isize) - * *g.offset(25 as isize); - *g - .offset( - 32 as isize, - ) = *c0z.offset(0 as isize) - * *g.offset(28 as isize) + *g.offset(18 as isize) = + *cpy.offset(0 as isize) * *c0y.offset(0 as isize) + *b00.offset(0 as isize); + *g.offset(19 as isize) = + *cpy.offset(1 as isize) * *c0y.offset(1 as isize) + *b00.offset(1 as isize); + *g.offset(22 as isize) = *c0y.offset(0 as isize) + * (*g.offset(18 as isize) + *b00.offset(0 as isize)) + + *b10.offset(0 as isize) * *cpy.offset(0 as isize); + *g.offset(23 as isize) = *c0y.offset(1 as isize) + * (*g.offset(19 as isize) + *b00.offset(1 as isize)) + + *b10.offset(1 as isize) * *cpy.offset(1 as isize); + *g.offset(28 as isize) = *c0z.offset(0 as isize) * *g.offset(24 as isize); + *g.offset(29 as isize) = *c0z.offset(1 as isize) * *g.offset(25 as isize); + *g.offset(32 as isize) = *c0z.offset(0 as isize) * *g.offset(28 as isize) + *b10.offset(0 as isize) * *g.offset(24 as isize); - *g - .offset( - 33 as isize, - ) = *c0z.offset(1 as isize) - * *g.offset(29 as isize) + *g.offset(33 as isize) = *c0z.offset(1 as isize) * *g.offset(29 as isize) + *b10.offset(1 as isize) * *g.offset(25 as isize); - *g - .offset( - 26 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(24 as isize); - *g - .offset( - 27 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(25 as isize); - *g - .offset( - 30 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(28 as isize) + *g.offset(26 as isize) = *cpz.offset(0 as isize) * *g.offset(24 as isize); + *g.offset(27 as isize) = *cpz.offset(1 as isize) * *g.offset(25 as isize); + *g.offset(30 as isize) = *cpz.offset(0 as isize) * *g.offset(28 as isize) + *b00.offset(0 as isize) * *g.offset(24 as isize); - *g - .offset( - 31 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(29 as isize) + *g.offset(31 as isize) = *cpz.offset(1 as isize) * *g.offset(29 as isize) + *b00.offset(1 as isize) * *g.offset(25 as isize); - *g - .offset( - 34 as isize, - ) = *c0z.offset(0 as isize) - * *g.offset(30 as isize) + *g.offset(34 as isize) = *c0z.offset(0 as isize) * *g.offset(30 as isize) + *b10.offset(0 as isize) * *g.offset(26 as isize) + *b00.offset(0 as isize) * *g.offset(28 as isize); - *g - .offset( - 35 as isize, - ) = *c0z.offset(1 as isize) - * *g.offset(31 as isize) + *g.offset(35 as isize) = *c0z.offset(1 as isize) * *g.offset(31 as isize) + *b10.offset(1 as isize) * *g.offset(27 as isize) + *b00.offset(1 as isize) * *g.offset(29 as isize); } #[inline] -unsafe extern "C" fn _g0_2d4d_0210( - mut g: *mut f64, - mut bc: *mut Rys2eT, - _envs: *mut CINTEnvVars, -) { +unsafe extern "C" fn _g0_2d4d_0210(mut g: *mut f64, mut bc: *mut Rys2eT, _envs: *mut CINTEnvVars) { let mut c0x: *mut f64 = ((*bc).c00x).as_mut_ptr(); let mut c0y: *mut f64 = ((*bc).c00y).as_mut_ptr(); let mut c0z: *mut f64 = ((*bc).c00z).as_mut_ptr(); @@ -3025,155 +1736,61 @@ unsafe extern "C" fn _g0_2d4d_0210( *g.offset(3 as isize) = *cpx.offset(1 as isize); *g.offset(4 as isize) = *c0x.offset(0 as isize); *g.offset(5 as isize) = *c0x.offset(1 as isize); - *g - .offset( - 6 as isize, - ) = *cpx.offset(0 as isize) - * *c0x.offset(0 as isize) - + *b00.offset(0 as isize); - *g - .offset( - 7 as isize, - ) = *cpx.offset(1 as isize) - * *c0x.offset(1 as isize) - + *b00.offset(1 as isize); - *g - .offset( - 8 as isize, - ) = *c0x.offset(0 as isize) - * *c0x.offset(0 as isize) - + *b10.offset(0 as isize); - *g - .offset( - 9 as isize, - ) = *c0x.offset(1 as isize) - * *c0x.offset(1 as isize) - + *b10.offset(1 as isize); - *g - .offset( - 10 as isize, - ) = *c0x.offset(0 as isize) + *g.offset(6 as isize) = + *cpx.offset(0 as isize) * *c0x.offset(0 as isize) + *b00.offset(0 as isize); + *g.offset(7 as isize) = + *cpx.offset(1 as isize) * *c0x.offset(1 as isize) + *b00.offset(1 as isize); + *g.offset(8 as isize) = + *c0x.offset(0 as isize) * *c0x.offset(0 as isize) + *b10.offset(0 as isize); + *g.offset(9 as isize) = + *c0x.offset(1 as isize) * *c0x.offset(1 as isize) + *b10.offset(1 as isize); + *g.offset(10 as isize) = *c0x.offset(0 as isize) * (*g.offset(6 as isize) + *b00.offset(0 as isize)) - + *b10.offset(0 as isize) - * *cpx.offset(0 as isize); - *g - .offset( - 11 as isize, - ) = *c0x.offset(1 as isize) + + *b10.offset(0 as isize) * *cpx.offset(0 as isize); + *g.offset(11 as isize) = *c0x.offset(1 as isize) * (*g.offset(7 as isize) + *b00.offset(1 as isize)) - + *b10.offset(1 as isize) - * *cpx.offset(1 as isize); + + *b10.offset(1 as isize) * *cpx.offset(1 as isize); *g.offset(12 as isize) = 1 as f64; *g.offset(13 as isize) = 1 as f64; *g.offset(14 as isize) = *cpy.offset(0 as isize); *g.offset(15 as isize) = *cpy.offset(1 as isize); *g.offset(16 as isize) = *c0y.offset(0 as isize); *g.offset(17 as isize) = *c0y.offset(1 as isize); - *g - .offset( - 18 as isize, - ) = *cpy.offset(0 as isize) - * *c0y.offset(0 as isize) - + *b00.offset(0 as isize); - *g - .offset( - 19 as isize, - ) = *cpy.offset(1 as isize) - * *c0y.offset(1 as isize) - + *b00.offset(1 as isize); - *g - .offset( - 20 as isize, - ) = *c0y.offset(0 as isize) - * *c0y.offset(0 as isize) - + *b10.offset(0 as isize); - *g - .offset( - 21 as isize, - ) = *c0y.offset(1 as isize) - * *c0y.offset(1 as isize) - + *b10.offset(1 as isize); - *g - .offset( - 22 as isize, - ) = *c0y.offset(0 as isize) - * (*g.offset(18 as isize) - + *b00.offset(0 as isize)) - + *b10.offset(0 as isize) - * *cpy.offset(0 as isize); - *g - .offset( - 23 as isize, - ) = *c0y.offset(1 as isize) - * (*g.offset(19 as isize) - + *b00.offset(1 as isize)) - + *b10.offset(1 as isize) - * *cpy.offset(1 as isize); - *g - .offset( - 26 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(24 as isize); - *g - .offset( - 27 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(25 as isize); - *g - .offset( - 28 as isize, - ) = *c0z.offset(0 as isize) - * *g.offset(24 as isize); - *g - .offset( - 29 as isize, - ) = *c0z.offset(1 as isize) - * *g.offset(25 as isize); - *g - .offset( - 30 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(28 as isize) + *g.offset(18 as isize) = + *cpy.offset(0 as isize) * *c0y.offset(0 as isize) + *b00.offset(0 as isize); + *g.offset(19 as isize) = + *cpy.offset(1 as isize) * *c0y.offset(1 as isize) + *b00.offset(1 as isize); + *g.offset(20 as isize) = + *c0y.offset(0 as isize) * *c0y.offset(0 as isize) + *b10.offset(0 as isize); + *g.offset(21 as isize) = + *c0y.offset(1 as isize) * *c0y.offset(1 as isize) + *b10.offset(1 as isize); + *g.offset(22 as isize) = *c0y.offset(0 as isize) + * (*g.offset(18 as isize) + *b00.offset(0 as isize)) + + *b10.offset(0 as isize) * *cpy.offset(0 as isize); + *g.offset(23 as isize) = *c0y.offset(1 as isize) + * (*g.offset(19 as isize) + *b00.offset(1 as isize)) + + *b10.offset(1 as isize) * *cpy.offset(1 as isize); + *g.offset(26 as isize) = *cpz.offset(0 as isize) * *g.offset(24 as isize); + *g.offset(27 as isize) = *cpz.offset(1 as isize) * *g.offset(25 as isize); + *g.offset(28 as isize) = *c0z.offset(0 as isize) * *g.offset(24 as isize); + *g.offset(29 as isize) = *c0z.offset(1 as isize) * *g.offset(25 as isize); + *g.offset(30 as isize) = *cpz.offset(0 as isize) * *g.offset(28 as isize) + *b00.offset(0 as isize) * *g.offset(24 as isize); - *g - .offset( - 31 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(29 as isize) + *g.offset(31 as isize) = *cpz.offset(1 as isize) * *g.offset(29 as isize) + *b00.offset(1 as isize) * *g.offset(25 as isize); - *g - .offset( - 32 as isize, - ) = *c0z.offset(0 as isize) - * *g.offset(28 as isize) + *g.offset(32 as isize) = *c0z.offset(0 as isize) * *g.offset(28 as isize) + *b10.offset(0 as isize) * *g.offset(24 as isize); - *g - .offset( - 33 as isize, - ) = *c0z.offset(1 as isize) - * *g.offset(29 as isize) + *g.offset(33 as isize) = *c0z.offset(1 as isize) * *g.offset(29 as isize) + *b10.offset(1 as isize) * *g.offset(25 as isize); - *g - .offset( - 34 as isize, - ) = *c0z.offset(0 as isize) - * *g.offset(30 as isize) + *g.offset(34 as isize) = *c0z.offset(0 as isize) * *g.offset(30 as isize) + *b10.offset(0 as isize) * *g.offset(26 as isize) + *b00.offset(0 as isize) * *g.offset(28 as isize); - *g - .offset( - 35 as isize, - ) = *c0z.offset(1 as isize) - * *g.offset(31 as isize) + *g.offset(35 as isize) = *c0z.offset(1 as isize) * *g.offset(31 as isize) + *b10.offset(1 as isize) * *g.offset(27 as isize) + *b00.offset(1 as isize) * *g.offset(29 as isize); } #[inline] -unsafe extern "C" fn _g0_2d4d_0300( - mut g: *mut f64, - mut bc: *mut Rys2eT, - _envs: *mut CINTEnvVars, -) { +unsafe extern "C" fn _g0_2d4d_0300(mut g: *mut f64, mut bc: *mut Rys2eT, _envs: *mut CINTEnvVars) { let mut c0x: *mut f64 = ((*bc).c00x).as_mut_ptr(); let mut c0y: *mut f64 = ((*bc).c00y).as_mut_ptr(); let mut c0z: *mut f64 = ((*bc).c00z).as_mut_ptr(); @@ -3182,105 +1799,39 @@ unsafe extern "C" fn _g0_2d4d_0300( *g.offset(1 as isize) = 1 as f64; *g.offset(2 as isize) = *c0x.offset(0 as isize); *g.offset(3 as isize) = *c0x.offset(1 as isize); - *g - .offset( - 4 as isize, - ) = *c0x.offset(0 as isize) - * *c0x.offset(0 as isize) - + *b10.offset(0 as isize); - *g - .offset( - 5 as isize, - ) = *c0x.offset(1 as isize) - * *c0x.offset(1 as isize) - + *b10.offset(1 as isize); - *g - .offset( - 6 as isize, - ) = *c0x.offset(0 as isize) - * (*g.offset(4 as isize) - + 2 as f64 - * *b10.offset(0 as isize)); - *g - .offset( - 7 as isize, - ) = *c0x.offset(1 as isize) - * (*g.offset(5 as isize) - + 2 as f64 - * *b10.offset(1 as isize)); + *g.offset(4 as isize) = + *c0x.offset(0 as isize) * *c0x.offset(0 as isize) + *b10.offset(0 as isize); + *g.offset(5 as isize) = + *c0x.offset(1 as isize) * *c0x.offset(1 as isize) + *b10.offset(1 as isize); + *g.offset(6 as isize) = + *c0x.offset(0 as isize) * (*g.offset(4 as isize) + 2 as f64 * *b10.offset(0 as isize)); + *g.offset(7 as isize) = + *c0x.offset(1 as isize) * (*g.offset(5 as isize) + 2 as f64 * *b10.offset(1 as isize)); *g.offset(8 as isize) = 1 as f64; *g.offset(9 as isize) = 1 as f64; *g.offset(10 as isize) = *c0y.offset(0 as isize); *g.offset(11 as isize) = *c0y.offset(1 as isize); - *g - .offset( - 12 as isize, - ) = *c0y.offset(0 as isize) - * *c0y.offset(0 as isize) - + *b10.offset(0 as isize); - *g - .offset( - 13 as isize, - ) = *c0y.offset(1 as isize) - * *c0y.offset(1 as isize) - + *b10.offset(1 as isize); - *g - .offset( - 14 as isize, - ) = *c0y.offset(0 as isize) - * (*g.offset(12 as isize) - + 2 as f64 - * *b10.offset(0 as isize)); - *g - .offset( - 15 as isize, - ) = *c0y.offset(1 as isize) - * (*g.offset(13 as isize) - + 2 as f64 - * *b10.offset(1 as isize)); - *g - .offset( - 18 as isize, - ) = *c0z.offset(0 as isize) - * *g.offset(16 as isize); - *g - .offset( - 19 as isize, - ) = *c0z.offset(1 as isize) - * *g.offset(17 as isize); - *g - .offset( - 20 as isize, - ) = *c0z.offset(0 as isize) - * *g.offset(18 as isize) + *g.offset(12 as isize) = + *c0y.offset(0 as isize) * *c0y.offset(0 as isize) + *b10.offset(0 as isize); + *g.offset(13 as isize) = + *c0y.offset(1 as isize) * *c0y.offset(1 as isize) + *b10.offset(1 as isize); + *g.offset(14 as isize) = + *c0y.offset(0 as isize) * (*g.offset(12 as isize) + 2 as f64 * *b10.offset(0 as isize)); + *g.offset(15 as isize) = + *c0y.offset(1 as isize) * (*g.offset(13 as isize) + 2 as f64 * *b10.offset(1 as isize)); + *g.offset(18 as isize) = *c0z.offset(0 as isize) * *g.offset(16 as isize); + *g.offset(19 as isize) = *c0z.offset(1 as isize) * *g.offset(17 as isize); + *g.offset(20 as isize) = *c0z.offset(0 as isize) * *g.offset(18 as isize) + *b10.offset(0 as isize) * *g.offset(16 as isize); - *g - .offset( - 21 as isize, - ) = *c0z.offset(1 as isize) - * *g.offset(19 as isize) + *g.offset(21 as isize) = *c0z.offset(1 as isize) * *g.offset(19 as isize) + *b10.offset(1 as isize) * *g.offset(17 as isize); - *g - .offset( - 22 as isize, - ) = *c0z.offset(0 as isize) - * *g.offset(20 as isize) - + 2 as f64 * *b10.offset(0 as isize) - * *g.offset(18 as isize); - *g - .offset( - 23 as isize, - ) = *c0z.offset(1 as isize) - * *g.offset(21 as isize) - + 2 as f64 * *b10.offset(1 as isize) - * *g.offset(19 as isize); + *g.offset(22 as isize) = *c0z.offset(0 as isize) * *g.offset(20 as isize) + + 2 as f64 * *b10.offset(0 as isize) * *g.offset(18 as isize); + *g.offset(23 as isize) = *c0z.offset(1 as isize) * *g.offset(21 as isize) + + 2 as f64 * *b10.offset(1 as isize) * *g.offset(19 as isize); } #[inline] -unsafe extern "C" fn _g0_2d4d_1000( - mut g: *mut f64, - mut bc: *mut Rys2eT, - _envs: *mut CINTEnvVars, -) { +unsafe extern "C" fn _g0_2d4d_1000(mut g: *mut f64, mut bc: *mut Rys2eT, _envs: *mut CINTEnvVars) { let mut c0x: *mut f64 = ((*bc).c00x).as_mut_ptr(); let mut c0y: *mut f64 = ((*bc).c00y).as_mut_ptr(); let mut c0z: *mut f64 = ((*bc).c00z).as_mut_ptr(); @@ -3288,18 +1839,10 @@ unsafe extern "C" fn _g0_2d4d_1000( *g.offset(1 as isize) = *c0x.offset(0 as isize); *g.offset(2 as isize) = 1 as f64; *g.offset(3 as isize) = *c0y.offset(0 as isize); - *g - .offset( - 5 as isize, - ) = *c0z.offset(0 as isize) - * *g.offset(4 as isize); + *g.offset(5 as isize) = *c0z.offset(0 as isize) * *g.offset(4 as isize); } #[inline] -unsafe extern "C" fn _g0_2d4d_1001( - mut g: *mut f64, - mut bc: *mut Rys2eT, - _envs: *mut CINTEnvVars, -) { +unsafe extern "C" fn _g0_2d4d_1001(mut g: *mut f64, mut bc: *mut Rys2eT, _envs: *mut CINTEnvVars) { let mut c0x: *mut f64 = ((*bc).c00x).as_mut_ptr(); let mut c0y: *mut f64 = ((*bc).c00y).as_mut_ptr(); let mut c0z: *mut f64 = ((*bc).c00z).as_mut_ptr(); @@ -3313,75 +1856,31 @@ unsafe extern "C" fn _g0_2d4d_1001( *g.offset(3 as isize) = *c0x.offset(1 as isize); *g.offset(4 as isize) = *cpx.offset(0 as isize); *g.offset(5 as isize) = *cpx.offset(1 as isize); - *g - .offset( - 6 as isize, - ) = *cpx.offset(0 as isize) - * *c0x.offset(0 as isize) - + *b00.offset(0 as isize); - *g - .offset( - 7 as isize, - ) = *cpx.offset(1 as isize) - * *c0x.offset(1 as isize) - + *b00.offset(1 as isize); + *g.offset(6 as isize) = + *cpx.offset(0 as isize) * *c0x.offset(0 as isize) + *b00.offset(0 as isize); + *g.offset(7 as isize) = + *cpx.offset(1 as isize) * *c0x.offset(1 as isize) + *b00.offset(1 as isize); *g.offset(8 as isize) = 1 as f64; *g.offset(9 as isize) = 1 as f64; *g.offset(10 as isize) = *c0y.offset(0 as isize); *g.offset(11 as isize) = *c0y.offset(1 as isize); *g.offset(12 as isize) = *cpy.offset(0 as isize); *g.offset(13 as isize) = *cpy.offset(1 as isize); - *g - .offset( - 14 as isize, - ) = *cpy.offset(0 as isize) - * *c0y.offset(0 as isize) - + *b00.offset(0 as isize); - *g - .offset( - 15 as isize, - ) = *cpy.offset(1 as isize) - * *c0y.offset(1 as isize) - + *b00.offset(1 as isize); - *g - .offset( - 18 as isize, - ) = *c0z.offset(0 as isize) - * *g.offset(16 as isize); - *g - .offset( - 19 as isize, - ) = *c0z.offset(1 as isize) - * *g.offset(17 as isize); - *g - .offset( - 20 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(16 as isize); - *g - .offset( - 21 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(17 as isize); - *g - .offset( - 22 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(18 as isize) + *g.offset(14 as isize) = + *cpy.offset(0 as isize) * *c0y.offset(0 as isize) + *b00.offset(0 as isize); + *g.offset(15 as isize) = + *cpy.offset(1 as isize) * *c0y.offset(1 as isize) + *b00.offset(1 as isize); + *g.offset(18 as isize) = *c0z.offset(0 as isize) * *g.offset(16 as isize); + *g.offset(19 as isize) = *c0z.offset(1 as isize) * *g.offset(17 as isize); + *g.offset(20 as isize) = *cpz.offset(0 as isize) * *g.offset(16 as isize); + *g.offset(21 as isize) = *cpz.offset(1 as isize) * *g.offset(17 as isize); + *g.offset(22 as isize) = *cpz.offset(0 as isize) * *g.offset(18 as isize) + *b00.offset(0 as isize) * *g.offset(16 as isize); - *g - .offset( - 23 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(19 as isize) + *g.offset(23 as isize) = *cpz.offset(1 as isize) * *g.offset(19 as isize) + *b00.offset(1 as isize) * *g.offset(17 as isize); } #[inline] -unsafe extern "C" fn _g0_2d4d_1002( - mut g: *mut f64, - mut bc: *mut Rys2eT, - _envs: *mut CINTEnvVars, -) { +unsafe extern "C" fn _g0_2d4d_1002(mut g: *mut f64, mut bc: *mut Rys2eT, _envs: *mut CINTEnvVars) { let mut c0x: *mut f64 = ((*bc).c00x).as_mut_ptr(); let mut c0y: *mut f64 = ((*bc).c00y).as_mut_ptr(); let mut c0z: *mut f64 = ((*bc).c00z).as_mut_ptr(); @@ -3396,155 +1895,61 @@ unsafe extern "C" fn _g0_2d4d_1002( *g.offset(3 as isize) = *c0x.offset(1 as isize); *g.offset(4 as isize) = *cpx.offset(0 as isize); *g.offset(5 as isize) = *cpx.offset(1 as isize); - *g - .offset( - 6 as isize, - ) = *cpx.offset(0 as isize) - * *c0x.offset(0 as isize) - + *b00.offset(0 as isize); - *g - .offset( - 7 as isize, - ) = *cpx.offset(1 as isize) - * *c0x.offset(1 as isize) - + *b00.offset(1 as isize); - *g - .offset( - 8 as isize, - ) = *cpx.offset(0 as isize) - * *cpx.offset(0 as isize) - + *b01.offset(0 as isize); - *g - .offset( - 9 as isize, - ) = *cpx.offset(1 as isize) - * *cpx.offset(1 as isize) - + *b01.offset(1 as isize); - *g - .offset( - 10 as isize, - ) = *cpx.offset(0 as isize) + *g.offset(6 as isize) = + *cpx.offset(0 as isize) * *c0x.offset(0 as isize) + *b00.offset(0 as isize); + *g.offset(7 as isize) = + *cpx.offset(1 as isize) * *c0x.offset(1 as isize) + *b00.offset(1 as isize); + *g.offset(8 as isize) = + *cpx.offset(0 as isize) * *cpx.offset(0 as isize) + *b01.offset(0 as isize); + *g.offset(9 as isize) = + *cpx.offset(1 as isize) * *cpx.offset(1 as isize) + *b01.offset(1 as isize); + *g.offset(10 as isize) = *cpx.offset(0 as isize) * (*g.offset(6 as isize) + *b00.offset(0 as isize)) - + *b01.offset(0 as isize) - * *c0x.offset(0 as isize); - *g - .offset( - 11 as isize, - ) = *cpx.offset(1 as isize) + + *b01.offset(0 as isize) * *c0x.offset(0 as isize); + *g.offset(11 as isize) = *cpx.offset(1 as isize) * (*g.offset(7 as isize) + *b00.offset(1 as isize)) - + *b01.offset(1 as isize) - * *c0x.offset(1 as isize); + + *b01.offset(1 as isize) * *c0x.offset(1 as isize); *g.offset(12 as isize) = 1 as f64; *g.offset(13 as isize) = 1 as f64; *g.offset(14 as isize) = *c0y.offset(0 as isize); *g.offset(15 as isize) = *c0y.offset(1 as isize); *g.offset(16 as isize) = *cpy.offset(0 as isize); *g.offset(17 as isize) = *cpy.offset(1 as isize); - *g - .offset( - 18 as isize, - ) = *cpy.offset(0 as isize) - * *c0y.offset(0 as isize) - + *b00.offset(0 as isize); - *g - .offset( - 19 as isize, - ) = *cpy.offset(1 as isize) - * *c0y.offset(1 as isize) - + *b00.offset(1 as isize); - *g - .offset( - 20 as isize, - ) = *cpy.offset(0 as isize) - * *cpy.offset(0 as isize) - + *b01.offset(0 as isize); - *g - .offset( - 21 as isize, - ) = *cpy.offset(1 as isize) - * *cpy.offset(1 as isize) - + *b01.offset(1 as isize); - *g - .offset( - 22 as isize, - ) = *cpy.offset(0 as isize) - * (*g.offset(18 as isize) - + *b00.offset(0 as isize)) - + *b01.offset(0 as isize) - * *c0y.offset(0 as isize); - *g - .offset( - 23 as isize, - ) = *cpy.offset(1 as isize) - * (*g.offset(19 as isize) - + *b00.offset(1 as isize)) - + *b01.offset(1 as isize) - * *c0y.offset(1 as isize); - *g - .offset( - 26 as isize, - ) = *c0z.offset(0 as isize) - * *g.offset(24 as isize); - *g - .offset( - 27 as isize, - ) = *c0z.offset(1 as isize) - * *g.offset(25 as isize); - *g - .offset( - 28 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(24 as isize); - *g - .offset( - 29 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(25 as isize); - *g - .offset( - 30 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(26 as isize) + *g.offset(18 as isize) = + *cpy.offset(0 as isize) * *c0y.offset(0 as isize) + *b00.offset(0 as isize); + *g.offset(19 as isize) = + *cpy.offset(1 as isize) * *c0y.offset(1 as isize) + *b00.offset(1 as isize); + *g.offset(20 as isize) = + *cpy.offset(0 as isize) * *cpy.offset(0 as isize) + *b01.offset(0 as isize); + *g.offset(21 as isize) = + *cpy.offset(1 as isize) * *cpy.offset(1 as isize) + *b01.offset(1 as isize); + *g.offset(22 as isize) = *cpy.offset(0 as isize) + * (*g.offset(18 as isize) + *b00.offset(0 as isize)) + + *b01.offset(0 as isize) * *c0y.offset(0 as isize); + *g.offset(23 as isize) = *cpy.offset(1 as isize) + * (*g.offset(19 as isize) + *b00.offset(1 as isize)) + + *b01.offset(1 as isize) * *c0y.offset(1 as isize); + *g.offset(26 as isize) = *c0z.offset(0 as isize) * *g.offset(24 as isize); + *g.offset(27 as isize) = *c0z.offset(1 as isize) * *g.offset(25 as isize); + *g.offset(28 as isize) = *cpz.offset(0 as isize) * *g.offset(24 as isize); + *g.offset(29 as isize) = *cpz.offset(1 as isize) * *g.offset(25 as isize); + *g.offset(30 as isize) = *cpz.offset(0 as isize) * *g.offset(26 as isize) + *b00.offset(0 as isize) * *g.offset(24 as isize); - *g - .offset( - 31 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(27 as isize) + *g.offset(31 as isize) = *cpz.offset(1 as isize) * *g.offset(27 as isize) + *b00.offset(1 as isize) * *g.offset(25 as isize); - *g - .offset( - 32 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(28 as isize) + *g.offset(32 as isize) = *cpz.offset(0 as isize) * *g.offset(28 as isize) + *b01.offset(0 as isize) * *g.offset(24 as isize); - *g - .offset( - 33 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(29 as isize) + *g.offset(33 as isize) = *cpz.offset(1 as isize) * *g.offset(29 as isize) + *b01.offset(1 as isize) * *g.offset(25 as isize); - *g - .offset( - 34 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(30 as isize) + *g.offset(34 as isize) = *cpz.offset(0 as isize) * *g.offset(30 as isize) + *b01.offset(0 as isize) * *g.offset(26 as isize) + *b00.offset(0 as isize) * *g.offset(28 as isize); - *g - .offset( - 35 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(31 as isize) + *g.offset(35 as isize) = *cpz.offset(1 as isize) * *g.offset(31 as isize) + *b01.offset(1 as isize) * *g.offset(27 as isize) + *b00.offset(1 as isize) * *g.offset(29 as isize); } #[inline] -unsafe extern "C" fn _g0_2d4d_1010( - mut g: *mut f64, - mut bc: *mut Rys2eT, - _envs: *mut CINTEnvVars, -) { +unsafe extern "C" fn _g0_2d4d_1010(mut g: *mut f64, mut bc: *mut Rys2eT, _envs: *mut CINTEnvVars) { let mut c0x: *mut f64 = ((*bc).c00x).as_mut_ptr(); let mut c0y: *mut f64 = ((*bc).c00y).as_mut_ptr(); let mut c0z: *mut f64 = ((*bc).c00z).as_mut_ptr(); @@ -3558,67 +1963,27 @@ unsafe extern "C" fn _g0_2d4d_1010( *g.offset(3 as isize) = *c0x.offset(1 as isize); *g.offset(4 as isize) = *cpx.offset(0 as isize); *g.offset(5 as isize) = *cpx.offset(1 as isize); - *g - .offset( - 6 as isize, - ) = *cpx.offset(0 as isize) - * *c0x.offset(0 as isize) - + *b00.offset(0 as isize); - *g - .offset( - 7 as isize, - ) = *cpx.offset(1 as isize) - * *c0x.offset(1 as isize) - + *b00.offset(1 as isize); + *g.offset(6 as isize) = + *cpx.offset(0 as isize) * *c0x.offset(0 as isize) + *b00.offset(0 as isize); + *g.offset(7 as isize) = + *cpx.offset(1 as isize) * *c0x.offset(1 as isize) + *b00.offset(1 as isize); *g.offset(8 as isize) = 1 as f64; *g.offset(9 as isize) = 1 as f64; *g.offset(10 as isize) = *c0y.offset(0 as isize); *g.offset(11 as isize) = *c0y.offset(1 as isize); *g.offset(12 as isize) = *cpy.offset(0 as isize); *g.offset(13 as isize) = *cpy.offset(1 as isize); - *g - .offset( - 14 as isize, - ) = *cpy.offset(0 as isize) - * *c0y.offset(0 as isize) - + *b00.offset(0 as isize); - *g - .offset( - 15 as isize, - ) = *cpy.offset(1 as isize) - * *c0y.offset(1 as isize) - + *b00.offset(1 as isize); - *g - .offset( - 18 as isize, - ) = *c0z.offset(0 as isize) - * *g.offset(16 as isize); - *g - .offset( - 19 as isize, - ) = *c0z.offset(1 as isize) - * *g.offset(17 as isize); - *g - .offset( - 20 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(16 as isize); - *g - .offset( - 21 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(17 as isize); - *g - .offset( - 22 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(18 as isize) + *g.offset(14 as isize) = + *cpy.offset(0 as isize) * *c0y.offset(0 as isize) + *b00.offset(0 as isize); + *g.offset(15 as isize) = + *cpy.offset(1 as isize) * *c0y.offset(1 as isize) + *b00.offset(1 as isize); + *g.offset(18 as isize) = *c0z.offset(0 as isize) * *g.offset(16 as isize); + *g.offset(19 as isize) = *c0z.offset(1 as isize) * *g.offset(17 as isize); + *g.offset(20 as isize) = *cpz.offset(0 as isize) * *g.offset(16 as isize); + *g.offset(21 as isize) = *cpz.offset(1 as isize) * *g.offset(17 as isize); + *g.offset(22 as isize) = *cpz.offset(0 as isize) * *g.offset(18 as isize) + *b00.offset(0 as isize) * *g.offset(16 as isize); - *g - .offset( - 23 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(19 as isize) + *g.offset(23 as isize) = *cpz.offset(1 as isize) * *g.offset(19 as isize) + *b00.offset(1 as isize) * *g.offset(17 as isize); } #[inline] @@ -3644,213 +2009,79 @@ unsafe extern "C" fn _g0_2d4d_1011( *g.offset(3 as isize) = *c0x.offset(1 as isize); *g.offset(8 as isize) = *cpx.offset(0 as isize); *g.offset(9 as isize) = *cpx.offset(1 as isize); - *g - .offset( - 10 as isize, - ) = *cpx.offset(0 as isize) - * *c0x.offset(0 as isize) - + *b00.offset(0 as isize); - *g - .offset( - 11 as isize, - ) = *cpx.offset(1 as isize) - * *c0x.offset(1 as isize) - + *b00.offset(1 as isize); - *g - .offset( - 12 as isize, - ) = *cpx.offset(0 as isize) - * (xkxl + *cpx.offset(0 as isize)) - + *b01.offset(0 as isize); - *g - .offset( - 13 as isize, - ) = *cpx.offset(1 as isize) - * (xkxl + *cpx.offset(1 as isize)) - + *b01.offset(1 as isize); - *g - .offset( - 14 as isize, - ) = *g.offset(10 as isize) - * (xkxl + *cpx.offset(0 as isize)) + *g.offset(10 as isize) = + *cpx.offset(0 as isize) * *c0x.offset(0 as isize) + *b00.offset(0 as isize); + *g.offset(11 as isize) = + *cpx.offset(1 as isize) * *c0x.offset(1 as isize) + *b00.offset(1 as isize); + *g.offset(12 as isize) = + *cpx.offset(0 as isize) * (xkxl + *cpx.offset(0 as isize)) + *b01.offset(0 as isize); + *g.offset(13 as isize) = + *cpx.offset(1 as isize) * (xkxl + *cpx.offset(1 as isize)) + *b01.offset(1 as isize); + *g.offset(14 as isize) = *g.offset(10 as isize) * (xkxl + *cpx.offset(0 as isize)) + *cpx.offset(0 as isize) * *b00.offset(0 as isize) - + *b01.offset(0 as isize) - * *c0x.offset(0 as isize); - *g - .offset( - 15 as isize, - ) = *g.offset(11 as isize) - * (xkxl + *cpx.offset(1 as isize)) + + *b01.offset(0 as isize) * *c0x.offset(0 as isize); + *g.offset(15 as isize) = *g.offset(11 as isize) * (xkxl + *cpx.offset(1 as isize)) + *cpx.offset(1 as isize) * *b00.offset(1 as isize) - + *b01.offset(1 as isize) - * *c0x.offset(1 as isize); + + *b01.offset(1 as isize) * *c0x.offset(1 as isize); *g.offset(4 as isize) = xkxl + *cpx.offset(0 as isize); *g.offset(5 as isize) = xkxl + *cpx.offset(1 as isize); - *g - .offset( - 6 as isize, - ) = *c0x.offset(0 as isize) - * (xkxl + *cpx.offset(0 as isize)) - + *b00.offset(0 as isize); - *g - .offset( - 7 as isize, - ) = *c0x.offset(1 as isize) - * (xkxl + *cpx.offset(1 as isize)) - + *b00.offset(1 as isize); + *g.offset(6 as isize) = + *c0x.offset(0 as isize) * (xkxl + *cpx.offset(0 as isize)) + *b00.offset(0 as isize); + *g.offset(7 as isize) = + *c0x.offset(1 as isize) * (xkxl + *cpx.offset(1 as isize)) + *b00.offset(1 as isize); *g.offset(24 as isize) = 1 as f64; *g.offset(25 as isize) = 1 as f64; *g.offset(26 as isize) = *c0y.offset(0 as isize); *g.offset(27 as isize) = *c0y.offset(1 as isize); *g.offset(32 as isize) = *cpy.offset(0 as isize); *g.offset(33 as isize) = *cpy.offset(1 as isize); - *g - .offset( - 34 as isize, - ) = *cpy.offset(0 as isize) - * *c0y.offset(0 as isize) - + *b00.offset(0 as isize); - *g - .offset( - 35 as isize, - ) = *cpy.offset(1 as isize) - * *c0y.offset(1 as isize) - + *b00.offset(1 as isize); - *g - .offset( - 36 as isize, - ) = *cpy.offset(0 as isize) - * (ykyl + *cpy.offset(0 as isize)) - + *b01.offset(0 as isize); - *g - .offset( - 37 as isize, - ) = *cpy.offset(1 as isize) - * (ykyl + *cpy.offset(1 as isize)) - + *b01.offset(1 as isize); - *g - .offset( - 38 as isize, - ) = *g.offset(34 as isize) - * (ykyl + *cpy.offset(0 as isize)) + *g.offset(34 as isize) = + *cpy.offset(0 as isize) * *c0y.offset(0 as isize) + *b00.offset(0 as isize); + *g.offset(35 as isize) = + *cpy.offset(1 as isize) * *c0y.offset(1 as isize) + *b00.offset(1 as isize); + *g.offset(36 as isize) = + *cpy.offset(0 as isize) * (ykyl + *cpy.offset(0 as isize)) + *b01.offset(0 as isize); + *g.offset(37 as isize) = + *cpy.offset(1 as isize) * (ykyl + *cpy.offset(1 as isize)) + *b01.offset(1 as isize); + *g.offset(38 as isize) = *g.offset(34 as isize) * (ykyl + *cpy.offset(0 as isize)) + *cpy.offset(0 as isize) * *b00.offset(0 as isize) - + *b01.offset(0 as isize) - * *c0y.offset(0 as isize); - *g - .offset( - 39 as isize, - ) = *g.offset(35 as isize) - * (ykyl + *cpy.offset(1 as isize)) + + *b01.offset(0 as isize) * *c0y.offset(0 as isize); + *g.offset(39 as isize) = *g.offset(35 as isize) * (ykyl + *cpy.offset(1 as isize)) + *cpy.offset(1 as isize) * *b00.offset(1 as isize) - + *b01.offset(1 as isize) - * *c0y.offset(1 as isize); - *g - .offset( - 28 as isize, - ) = ykyl + *cpy.offset(0 as isize); - *g - .offset( - 29 as isize, - ) = ykyl + *cpy.offset(1 as isize); - *g - .offset( - 30 as isize, - ) = *c0y.offset(0 as isize) - * (ykyl + *cpy.offset(0 as isize)) - + *b00.offset(0 as isize); - *g - .offset( - 31 as isize, - ) = *c0y.offset(1 as isize) - * (ykyl + *cpy.offset(1 as isize)) - + *b00.offset(1 as isize); - *g - .offset( - 50 as isize, - ) = *c0z.offset(0 as isize) - * *g.offset(48 as isize); - *g - .offset( - 51 as isize, - ) = *c0z.offset(1 as isize) - * *g.offset(49 as isize); - *g - .offset( - 56 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(48 as isize); - *g - .offset( - 57 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(49 as isize); - *g - .offset( - 58 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(50 as isize) + + *b01.offset(1 as isize) * *c0y.offset(1 as isize); + *g.offset(28 as isize) = ykyl + *cpy.offset(0 as isize); + *g.offset(29 as isize) = ykyl + *cpy.offset(1 as isize); + *g.offset(30 as isize) = + *c0y.offset(0 as isize) * (ykyl + *cpy.offset(0 as isize)) + *b00.offset(0 as isize); + *g.offset(31 as isize) = + *c0y.offset(1 as isize) * (ykyl + *cpy.offset(1 as isize)) + *b00.offset(1 as isize); + *g.offset(50 as isize) = *c0z.offset(0 as isize) * *g.offset(48 as isize); + *g.offset(51 as isize) = *c0z.offset(1 as isize) * *g.offset(49 as isize); + *g.offset(56 as isize) = *cpz.offset(0 as isize) * *g.offset(48 as isize); + *g.offset(57 as isize) = *cpz.offset(1 as isize) * *g.offset(49 as isize); + *g.offset(58 as isize) = *cpz.offset(0 as isize) * *g.offset(50 as isize) + *b00.offset(0 as isize) * *g.offset(48 as isize); - *g - .offset( - 59 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(51 as isize) + *g.offset(59 as isize) = *cpz.offset(1 as isize) * *g.offset(51 as isize) + *b00.offset(1 as isize) * *g.offset(49 as isize); - *g - .offset( - 60 as isize, - ) = *g.offset(56 as isize) - * (zkzl + *cpz.offset(0 as isize)) + *g.offset(60 as isize) = *g.offset(56 as isize) * (zkzl + *cpz.offset(0 as isize)) + *b01.offset(0 as isize) * *g.offset(48 as isize); - *g - .offset( - 61 as isize, - ) = *g.offset(57 as isize) - * (zkzl + *cpz.offset(1 as isize)) + *g.offset(61 as isize) = *g.offset(57 as isize) * (zkzl + *cpz.offset(1 as isize)) + *b01.offset(1 as isize) * *g.offset(49 as isize); - *g - .offset( - 62 as isize, - ) = *g.offset(58 as isize) - * (zkzl + *cpz.offset(0 as isize)) + *g.offset(62 as isize) = *g.offset(58 as isize) * (zkzl + *cpz.offset(0 as isize)) + *b01.offset(0 as isize) * *g.offset(50 as isize) + *b00.offset(0 as isize) * *g.offset(56 as isize); - *g - .offset( - 63 as isize, - ) = *g.offset(59 as isize) - * (zkzl + *cpz.offset(1 as isize)) + *g.offset(63 as isize) = *g.offset(59 as isize) * (zkzl + *cpz.offset(1 as isize)) + *b01.offset(1 as isize) * *g.offset(51 as isize) + *b00.offset(1 as isize) * *g.offset(57 as isize); - *g - .offset( - 52 as isize, - ) = *g.offset(48 as isize) - * (zkzl + *cpz.offset(0 as isize)); - *g - .offset( - 53 as isize, - ) = *g.offset(49 as isize) - * (zkzl + *cpz.offset(1 as isize)); - *g - .offset( - 54 as isize, - ) = *g.offset(50 as isize) - * (zkzl + *cpz.offset(0 as isize)) + *g.offset(52 as isize) = *g.offset(48 as isize) * (zkzl + *cpz.offset(0 as isize)); + *g.offset(53 as isize) = *g.offset(49 as isize) * (zkzl + *cpz.offset(1 as isize)); + *g.offset(54 as isize) = *g.offset(50 as isize) * (zkzl + *cpz.offset(0 as isize)) + *b00.offset(0 as isize) * *g.offset(48 as isize); - *g - .offset( - 55 as isize, - ) = *g.offset(51 as isize) - * (zkzl + *cpz.offset(1 as isize)) + *g.offset(55 as isize) = *g.offset(51 as isize) * (zkzl + *cpz.offset(1 as isize)) + *b00.offset(1 as isize) * *g.offset(49 as isize); } #[inline] -unsafe extern "C" fn _g0_2d4d_1020( - mut g: *mut f64, - mut bc: *mut Rys2eT, - _envs: *mut CINTEnvVars, -) { +unsafe extern "C" fn _g0_2d4d_1020(mut g: *mut f64, mut bc: *mut Rys2eT, _envs: *mut CINTEnvVars) { let mut c0x: *mut f64 = ((*bc).c00x).as_mut_ptr(); let mut c0y: *mut f64 = ((*bc).c00y).as_mut_ptr(); let mut c0z: *mut f64 = ((*bc).c00z).as_mut_ptr(); @@ -3865,146 +2096,56 @@ unsafe extern "C" fn _g0_2d4d_1020( *g.offset(3 as isize) = *c0x.offset(1 as isize); *g.offset(4 as isize) = *cpx.offset(0 as isize); *g.offset(5 as isize) = *cpx.offset(1 as isize); - *g - .offset( - 6 as isize, - ) = *cpx.offset(0 as isize) - * *c0x.offset(0 as isize) - + *b00.offset(0 as isize); - *g - .offset( - 7 as isize, - ) = *cpx.offset(1 as isize) - * *c0x.offset(1 as isize) - + *b00.offset(1 as isize); - *g - .offset( - 8 as isize, - ) = *cpx.offset(0 as isize) - * *cpx.offset(0 as isize) - + *b01.offset(0 as isize); - *g - .offset( - 9 as isize, - ) = *cpx.offset(1 as isize) - * *cpx.offset(1 as isize) - + *b01.offset(1 as isize); - *g - .offset( - 10 as isize, - ) = *cpx.offset(0 as isize) + *g.offset(6 as isize) = + *cpx.offset(0 as isize) * *c0x.offset(0 as isize) + *b00.offset(0 as isize); + *g.offset(7 as isize) = + *cpx.offset(1 as isize) * *c0x.offset(1 as isize) + *b00.offset(1 as isize); + *g.offset(8 as isize) = + *cpx.offset(0 as isize) * *cpx.offset(0 as isize) + *b01.offset(0 as isize); + *g.offset(9 as isize) = + *cpx.offset(1 as isize) * *cpx.offset(1 as isize) + *b01.offset(1 as isize); + *g.offset(10 as isize) = *cpx.offset(0 as isize) * (*g.offset(6 as isize) + *b00.offset(0 as isize)) - + *b01.offset(0 as isize) - * *c0x.offset(0 as isize); - *g - .offset( - 11 as isize, - ) = *cpx.offset(1 as isize) + + *b01.offset(0 as isize) * *c0x.offset(0 as isize); + *g.offset(11 as isize) = *cpx.offset(1 as isize) * (*g.offset(7 as isize) + *b00.offset(1 as isize)) - + *b01.offset(1 as isize) - * *c0x.offset(1 as isize); + + *b01.offset(1 as isize) * *c0x.offset(1 as isize); *g.offset(12 as isize) = 1 as f64; *g.offset(13 as isize) = 1 as f64; *g.offset(14 as isize) = *c0y.offset(0 as isize); *g.offset(15 as isize) = *c0y.offset(1 as isize); *g.offset(16 as isize) = *cpy.offset(0 as isize); *g.offset(17 as isize) = *cpy.offset(1 as isize); - *g - .offset( - 18 as isize, - ) = *cpy.offset(0 as isize) - * *c0y.offset(0 as isize) - + *b00.offset(0 as isize); - *g - .offset( - 19 as isize, - ) = *cpy.offset(1 as isize) - * *c0y.offset(1 as isize) - + *b00.offset(1 as isize); - *g - .offset( - 20 as isize, - ) = *cpy.offset(0 as isize) - * *cpy.offset(0 as isize) - + *b01.offset(0 as isize); - *g - .offset( - 21 as isize, - ) = *cpy.offset(1 as isize) - * *cpy.offset(1 as isize) - + *b01.offset(1 as isize); - *g - .offset( - 22 as isize, - ) = *cpy.offset(0 as isize) - * (*g.offset(18 as isize) - + *b00.offset(0 as isize)) - + *b01.offset(0 as isize) - * *c0y.offset(0 as isize); - *g - .offset( - 23 as isize, - ) = *cpy.offset(1 as isize) - * (*g.offset(19 as isize) - + *b00.offset(1 as isize)) - + *b01.offset(1 as isize) - * *c0y.offset(1 as isize); - *g - .offset( - 26 as isize, - ) = *c0z.offset(0 as isize) - * *g.offset(24 as isize); - *g - .offset( - 27 as isize, - ) = *c0z.offset(1 as isize) - * *g.offset(25 as isize); - *g - .offset( - 28 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(24 as isize); - *g - .offset( - 29 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(25 as isize); - *g - .offset( - 30 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(26 as isize) + *g.offset(18 as isize) = + *cpy.offset(0 as isize) * *c0y.offset(0 as isize) + *b00.offset(0 as isize); + *g.offset(19 as isize) = + *cpy.offset(1 as isize) * *c0y.offset(1 as isize) + *b00.offset(1 as isize); + *g.offset(20 as isize) = + *cpy.offset(0 as isize) * *cpy.offset(0 as isize) + *b01.offset(0 as isize); + *g.offset(21 as isize) = + *cpy.offset(1 as isize) * *cpy.offset(1 as isize) + *b01.offset(1 as isize); + *g.offset(22 as isize) = *cpy.offset(0 as isize) + * (*g.offset(18 as isize) + *b00.offset(0 as isize)) + + *b01.offset(0 as isize) * *c0y.offset(0 as isize); + *g.offset(23 as isize) = *cpy.offset(1 as isize) + * (*g.offset(19 as isize) + *b00.offset(1 as isize)) + + *b01.offset(1 as isize) * *c0y.offset(1 as isize); + *g.offset(26 as isize) = *c0z.offset(0 as isize) * *g.offset(24 as isize); + *g.offset(27 as isize) = *c0z.offset(1 as isize) * *g.offset(25 as isize); + *g.offset(28 as isize) = *cpz.offset(0 as isize) * *g.offset(24 as isize); + *g.offset(29 as isize) = *cpz.offset(1 as isize) * *g.offset(25 as isize); + *g.offset(30 as isize) = *cpz.offset(0 as isize) * *g.offset(26 as isize) + *b00.offset(0 as isize) * *g.offset(24 as isize); - *g - .offset( - 31 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(27 as isize) + *g.offset(31 as isize) = *cpz.offset(1 as isize) * *g.offset(27 as isize) + *b00.offset(1 as isize) * *g.offset(25 as isize); - *g - .offset( - 32 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(28 as isize) + *g.offset(32 as isize) = *cpz.offset(0 as isize) * *g.offset(28 as isize) + *b01.offset(0 as isize) * *g.offset(24 as isize); - *g - .offset( - 33 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(29 as isize) + *g.offset(33 as isize) = *cpz.offset(1 as isize) * *g.offset(29 as isize) + *b01.offset(1 as isize) * *g.offset(25 as isize); - *g - .offset( - 34 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(30 as isize) + *g.offset(34 as isize) = *cpz.offset(0 as isize) * *g.offset(30 as isize) + *b01.offset(0 as isize) * *g.offset(26 as isize) + *b00.offset(0 as isize) * *g.offset(28 as isize); - *g - .offset( - 35 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(31 as isize) + *g.offset(35 as isize) = *cpz.offset(1 as isize) * *g.offset(31 as isize) + *b01.offset(1 as isize) * *g.offset(27 as isize) + *b00.offset(1 as isize) * *g.offset(29 as isize); } @@ -4025,76 +2166,30 @@ unsafe extern "C" fn _g0_2d4d_1100( *g.offset(1 as isize) = 1 as f64; *g.offset(4 as isize) = *c0x.offset(0 as isize); *g.offset(5 as isize) = *c0x.offset(1 as isize); - *g - .offset( - 6 as isize, - ) = *c0x.offset(0 as isize) - * (xixj + *c0x.offset(0 as isize)) - + *b10.offset(0 as isize); - *g - .offset( - 7 as isize, - ) = *c0x.offset(1 as isize) - * (xixj + *c0x.offset(1 as isize)) - + *b10.offset(1 as isize); + *g.offset(6 as isize) = + *c0x.offset(0 as isize) * (xixj + *c0x.offset(0 as isize)) + *b10.offset(0 as isize); + *g.offset(7 as isize) = + *c0x.offset(1 as isize) * (xixj + *c0x.offset(1 as isize)) + *b10.offset(1 as isize); *g.offset(2 as isize) = xixj + *c0x.offset(0 as isize); *g.offset(3 as isize) = xixj + *c0x.offset(1 as isize); *g.offset(12 as isize) = 1 as f64; *g.offset(13 as isize) = 1 as f64; *g.offset(16 as isize) = *c0y.offset(0 as isize); *g.offset(17 as isize) = *c0y.offset(1 as isize); - *g - .offset( - 18 as isize, - ) = *c0y.offset(0 as isize) - * (yiyj + *c0y.offset(0 as isize)) - + *b10.offset(0 as isize); - *g - .offset( - 19 as isize, - ) = *c0y.offset(1 as isize) - * (yiyj + *c0y.offset(1 as isize)) - + *b10.offset(1 as isize); - *g - .offset( - 14 as isize, - ) = yiyj + *c0y.offset(0 as isize); - *g - .offset( - 15 as isize, - ) = yiyj + *c0y.offset(1 as isize); - *g - .offset( - 28 as isize, - ) = *c0z.offset(0 as isize) - * *g.offset(24 as isize); - *g - .offset( - 29 as isize, - ) = *c0z.offset(1 as isize) - * *g.offset(25 as isize); - *g - .offset( - 30 as isize, - ) = *g.offset(28 as isize) - * (zizj + *c0z.offset(0 as isize)) + *g.offset(18 as isize) = + *c0y.offset(0 as isize) * (yiyj + *c0y.offset(0 as isize)) + *b10.offset(0 as isize); + *g.offset(19 as isize) = + *c0y.offset(1 as isize) * (yiyj + *c0y.offset(1 as isize)) + *b10.offset(1 as isize); + *g.offset(14 as isize) = yiyj + *c0y.offset(0 as isize); + *g.offset(15 as isize) = yiyj + *c0y.offset(1 as isize); + *g.offset(28 as isize) = *c0z.offset(0 as isize) * *g.offset(24 as isize); + *g.offset(29 as isize) = *c0z.offset(1 as isize) * *g.offset(25 as isize); + *g.offset(30 as isize) = *g.offset(28 as isize) * (zizj + *c0z.offset(0 as isize)) + *b10.offset(0 as isize) * *g.offset(24 as isize); - *g - .offset( - 31 as isize, - ) = *g.offset(29 as isize) - * (zizj + *c0z.offset(1 as isize)) + *g.offset(31 as isize) = *g.offset(29 as isize) * (zizj + *c0z.offset(1 as isize)) + *b10.offset(1 as isize) * *g.offset(25 as isize); - *g - .offset( - 26 as isize, - ) = *g.offset(24 as isize) - * (zizj + *c0z.offset(0 as isize)); - *g - .offset( - 27 as isize, - ) = *g.offset(25 as isize) - * (zizj + *c0z.offset(1 as isize)); + *g.offset(26 as isize) = *g.offset(24 as isize) * (zizj + *c0z.offset(0 as isize)); + *g.offset(27 as isize) = *g.offset(25 as isize) * (zizj + *c0z.offset(1 as isize)); } #[inline] unsafe extern "C" fn _g0_2d4d_1101( @@ -4119,204 +2214,76 @@ unsafe extern "C" fn _g0_2d4d_1101( *g.offset(9 as isize) = *c0x.offset(1 as isize); *g.offset(4 as isize) = *cpx.offset(0 as isize); *g.offset(5 as isize) = *cpx.offset(1 as isize); - *g - .offset( - 12 as isize, - ) = *cpx.offset(0 as isize) - * *c0x.offset(0 as isize) - + *b00.offset(0 as isize); - *g - .offset( - 13 as isize, - ) = *cpx.offset(1 as isize) - * *c0x.offset(1 as isize) - + *b00.offset(1 as isize); - *g - .offset( - 10 as isize, - ) = *c0x.offset(0 as isize) - * (xixj + *c0x.offset(0 as isize)) - + *b10.offset(0 as isize); - *g - .offset( - 11 as isize, - ) = *c0x.offset(1 as isize) - * (xixj + *c0x.offset(1 as isize)) - + *b10.offset(1 as isize); + *g.offset(12 as isize) = + *cpx.offset(0 as isize) * *c0x.offset(0 as isize) + *b00.offset(0 as isize); + *g.offset(13 as isize) = + *cpx.offset(1 as isize) * *c0x.offset(1 as isize) + *b00.offset(1 as isize); + *g.offset(10 as isize) = + *c0x.offset(0 as isize) * (xixj + *c0x.offset(0 as isize)) + *b10.offset(0 as isize); + *g.offset(11 as isize) = + *c0x.offset(1 as isize) * (xixj + *c0x.offset(1 as isize)) + *b10.offset(1 as isize); *g.offset(2 as isize) = xixj + *c0x.offset(0 as isize); *g.offset(3 as isize) = xixj + *c0x.offset(1 as isize); - *g - .offset( - 14 as isize, - ) = *g.offset(12 as isize) - * (xixj + *c0x.offset(0 as isize)) + *g.offset(14 as isize) = *g.offset(12 as isize) * (xixj + *c0x.offset(0 as isize)) + *c0x.offset(0 as isize) * *b00.offset(0 as isize) - + *b10.offset(0 as isize) - * *cpx.offset(0 as isize); - *g - .offset( - 15 as isize, - ) = *g.offset(13 as isize) - * (xixj + *c0x.offset(1 as isize)) + + *b10.offset(0 as isize) * *cpx.offset(0 as isize); + *g.offset(15 as isize) = *g.offset(13 as isize) * (xixj + *c0x.offset(1 as isize)) + *c0x.offset(1 as isize) * *b00.offset(1 as isize) - + *b10.offset(1 as isize) - * *cpx.offset(1 as isize); - *g - .offset( - 6 as isize, - ) = *cpx.offset(0 as isize) - * (xixj + *c0x.offset(0 as isize)) - + *b00.offset(0 as isize); - *g - .offset( - 7 as isize, - ) = *cpx.offset(1 as isize) - * (xixj + *c0x.offset(1 as isize)) - + *b00.offset(1 as isize); + + *b10.offset(1 as isize) * *cpx.offset(1 as isize); + *g.offset(6 as isize) = + *cpx.offset(0 as isize) * (xixj + *c0x.offset(0 as isize)) + *b00.offset(0 as isize); + *g.offset(7 as isize) = + *cpx.offset(1 as isize) * (xixj + *c0x.offset(1 as isize)) + *b00.offset(1 as isize); *g.offset(24 as isize) = 1 as f64; *g.offset(25 as isize) = 1 as f64; *g.offset(32 as isize) = *c0y.offset(0 as isize); *g.offset(33 as isize) = *c0y.offset(1 as isize); *g.offset(28 as isize) = *cpy.offset(0 as isize); *g.offset(29 as isize) = *cpy.offset(1 as isize); - *g - .offset( - 36 as isize, - ) = *cpy.offset(0 as isize) - * *c0y.offset(0 as isize) - + *b00.offset(0 as isize); - *g - .offset( - 37 as isize, - ) = *cpy.offset(1 as isize) - * *c0y.offset(1 as isize) - + *b00.offset(1 as isize); - *g - .offset( - 34 as isize, - ) = *c0y.offset(0 as isize) - * (yiyj + *c0y.offset(0 as isize)) - + *b10.offset(0 as isize); - *g - .offset( - 35 as isize, - ) = *c0y.offset(1 as isize) - * (yiyj + *c0y.offset(1 as isize)) - + *b10.offset(1 as isize); - *g - .offset( - 26 as isize, - ) = yiyj + *c0y.offset(0 as isize); - *g - .offset( - 27 as isize, - ) = yiyj + *c0y.offset(1 as isize); - *g - .offset( - 38 as isize, - ) = *g.offset(36 as isize) - * (yiyj + *c0y.offset(0 as isize)) + *g.offset(36 as isize) = + *cpy.offset(0 as isize) * *c0y.offset(0 as isize) + *b00.offset(0 as isize); + *g.offset(37 as isize) = + *cpy.offset(1 as isize) * *c0y.offset(1 as isize) + *b00.offset(1 as isize); + *g.offset(34 as isize) = + *c0y.offset(0 as isize) * (yiyj + *c0y.offset(0 as isize)) + *b10.offset(0 as isize); + *g.offset(35 as isize) = + *c0y.offset(1 as isize) * (yiyj + *c0y.offset(1 as isize)) + *b10.offset(1 as isize); + *g.offset(26 as isize) = yiyj + *c0y.offset(0 as isize); + *g.offset(27 as isize) = yiyj + *c0y.offset(1 as isize); + *g.offset(38 as isize) = *g.offset(36 as isize) * (yiyj + *c0y.offset(0 as isize)) + *c0y.offset(0 as isize) * *b00.offset(0 as isize) - + *b10.offset(0 as isize) - * *cpy.offset(0 as isize); - *g - .offset( - 39 as isize, - ) = *g.offset(37 as isize) - * (yiyj + *c0y.offset(1 as isize)) + + *b10.offset(0 as isize) * *cpy.offset(0 as isize); + *g.offset(39 as isize) = *g.offset(37 as isize) * (yiyj + *c0y.offset(1 as isize)) + *c0y.offset(1 as isize) * *b00.offset(1 as isize) - + *b10.offset(1 as isize) - * *cpy.offset(1 as isize); - *g - .offset( - 30 as isize, - ) = *cpy.offset(0 as isize) - * (yiyj + *c0y.offset(0 as isize)) - + *b00.offset(0 as isize); - *g - .offset( - 31 as isize, - ) = *cpy.offset(1 as isize) - * (yiyj + *c0y.offset(1 as isize)) - + *b00.offset(1 as isize); - *g - .offset( - 56 as isize, - ) = *c0z.offset(0 as isize) - * *g.offset(48 as isize); - *g - .offset( - 57 as isize, - ) = *c0z.offset(1 as isize) - * *g.offset(49 as isize); - *g - .offset( - 52 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(48 as isize); - *g - .offset( - 53 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(49 as isize); - *g - .offset( - 60 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(56 as isize) + + *b10.offset(1 as isize) * *cpy.offset(1 as isize); + *g.offset(30 as isize) = + *cpy.offset(0 as isize) * (yiyj + *c0y.offset(0 as isize)) + *b00.offset(0 as isize); + *g.offset(31 as isize) = + *cpy.offset(1 as isize) * (yiyj + *c0y.offset(1 as isize)) + *b00.offset(1 as isize); + *g.offset(56 as isize) = *c0z.offset(0 as isize) * *g.offset(48 as isize); + *g.offset(57 as isize) = *c0z.offset(1 as isize) * *g.offset(49 as isize); + *g.offset(52 as isize) = *cpz.offset(0 as isize) * *g.offset(48 as isize); + *g.offset(53 as isize) = *cpz.offset(1 as isize) * *g.offset(49 as isize); + *g.offset(60 as isize) = *cpz.offset(0 as isize) * *g.offset(56 as isize) + *b00.offset(0 as isize) * *g.offset(48 as isize); - *g - .offset( - 61 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(57 as isize) + *g.offset(61 as isize) = *cpz.offset(1 as isize) * *g.offset(57 as isize) + *b00.offset(1 as isize) * *g.offset(49 as isize); - *g - .offset( - 58 as isize, - ) = *g.offset(56 as isize) - * (zizj + *c0z.offset(0 as isize)) + *g.offset(58 as isize) = *g.offset(56 as isize) * (zizj + *c0z.offset(0 as isize)) + *b10.offset(0 as isize) * *g.offset(48 as isize); - *g - .offset( - 59 as isize, - ) = *g.offset(57 as isize) - * (zizj + *c0z.offset(1 as isize)) + *g.offset(59 as isize) = *g.offset(57 as isize) * (zizj + *c0z.offset(1 as isize)) + *b10.offset(1 as isize) * *g.offset(49 as isize); - *g - .offset( - 50 as isize, - ) = *g.offset(48 as isize) - * (zizj + *c0z.offset(0 as isize)); - *g - .offset( - 51 as isize, - ) = *g.offset(49 as isize) - * (zizj + *c0z.offset(1 as isize)); - *g - .offset( - 62 as isize, - ) = *g.offset(60 as isize) - * (zizj + *c0z.offset(0 as isize)) + *g.offset(50 as isize) = *g.offset(48 as isize) * (zizj + *c0z.offset(0 as isize)); + *g.offset(51 as isize) = *g.offset(49 as isize) * (zizj + *c0z.offset(1 as isize)); + *g.offset(62 as isize) = *g.offset(60 as isize) * (zizj + *c0z.offset(0 as isize)) + *b10.offset(0 as isize) * *g.offset(52 as isize) + *b00.offset(0 as isize) * *g.offset(56 as isize); - *g - .offset( - 63 as isize, - ) = *g.offset(61 as isize) - * (zizj + *c0z.offset(1 as isize)) + *g.offset(63 as isize) = *g.offset(61 as isize) * (zizj + *c0z.offset(1 as isize)) + *b10.offset(1 as isize) * *g.offset(53 as isize) + *b00.offset(1 as isize) * *g.offset(57 as isize); - *g - .offset( - 54 as isize, - ) = zizj * *g.offset(52 as isize) + *g.offset(54 as isize) = zizj * *g.offset(52 as isize) + *cpz.offset(0 as isize) * *g.offset(56 as isize) + *b00.offset(0 as isize) * *g.offset(48 as isize); - *g - .offset( - 55 as isize, - ) = zizj * *g.offset(53 as isize) + *g.offset(55 as isize) = zizj * *g.offset(53 as isize) + *cpz.offset(1 as isize) * *g.offset(57 as isize) + *b00.offset(1 as isize) * *g.offset(49 as isize); } @@ -4343,204 +2310,76 @@ unsafe extern "C" fn _g0_2d4d_1110( *g.offset(9 as isize) = *c0x.offset(1 as isize); *g.offset(4 as isize) = *cpx.offset(0 as isize); *g.offset(5 as isize) = *cpx.offset(1 as isize); - *g - .offset( - 12 as isize, - ) = *cpx.offset(0 as isize) - * *c0x.offset(0 as isize) - + *b00.offset(0 as isize); - *g - .offset( - 13 as isize, - ) = *cpx.offset(1 as isize) - * *c0x.offset(1 as isize) - + *b00.offset(1 as isize); - *g - .offset( - 10 as isize, - ) = *c0x.offset(0 as isize) - * (xixj + *c0x.offset(0 as isize)) - + *b10.offset(0 as isize); - *g - .offset( - 11 as isize, - ) = *c0x.offset(1 as isize) - * (xixj + *c0x.offset(1 as isize)) - + *b10.offset(1 as isize); + *g.offset(12 as isize) = + *cpx.offset(0 as isize) * *c0x.offset(0 as isize) + *b00.offset(0 as isize); + *g.offset(13 as isize) = + *cpx.offset(1 as isize) * *c0x.offset(1 as isize) + *b00.offset(1 as isize); + *g.offset(10 as isize) = + *c0x.offset(0 as isize) * (xixj + *c0x.offset(0 as isize)) + *b10.offset(0 as isize); + *g.offset(11 as isize) = + *c0x.offset(1 as isize) * (xixj + *c0x.offset(1 as isize)) + *b10.offset(1 as isize); *g.offset(2 as isize) = xixj + *c0x.offset(0 as isize); *g.offset(3 as isize) = xixj + *c0x.offset(1 as isize); - *g - .offset( - 14 as isize, - ) = *g.offset(12 as isize) - * (xixj + *c0x.offset(0 as isize)) + *g.offset(14 as isize) = *g.offset(12 as isize) * (xixj + *c0x.offset(0 as isize)) + *c0x.offset(0 as isize) * *b00.offset(0 as isize) - + *b10.offset(0 as isize) - * *cpx.offset(0 as isize); - *g - .offset( - 15 as isize, - ) = *g.offset(13 as isize) - * (xixj + *c0x.offset(1 as isize)) + + *b10.offset(0 as isize) * *cpx.offset(0 as isize); + *g.offset(15 as isize) = *g.offset(13 as isize) * (xixj + *c0x.offset(1 as isize)) + *c0x.offset(1 as isize) * *b00.offset(1 as isize) - + *b10.offset(1 as isize) - * *cpx.offset(1 as isize); - *g - .offset( - 6 as isize, - ) = *cpx.offset(0 as isize) - * (xixj + *c0x.offset(0 as isize)) - + *b00.offset(0 as isize); - *g - .offset( - 7 as isize, - ) = *cpx.offset(1 as isize) - * (xixj + *c0x.offset(1 as isize)) - + *b00.offset(1 as isize); + + *b10.offset(1 as isize) * *cpx.offset(1 as isize); + *g.offset(6 as isize) = + *cpx.offset(0 as isize) * (xixj + *c0x.offset(0 as isize)) + *b00.offset(0 as isize); + *g.offset(7 as isize) = + *cpx.offset(1 as isize) * (xixj + *c0x.offset(1 as isize)) + *b00.offset(1 as isize); *g.offset(24 as isize) = 1 as f64; *g.offset(25 as isize) = 1 as f64; *g.offset(32 as isize) = *c0y.offset(0 as isize); *g.offset(33 as isize) = *c0y.offset(1 as isize); *g.offset(28 as isize) = *cpy.offset(0 as isize); *g.offset(29 as isize) = *cpy.offset(1 as isize); - *g - .offset( - 36 as isize, - ) = *cpy.offset(0 as isize) - * *c0y.offset(0 as isize) - + *b00.offset(0 as isize); - *g - .offset( - 37 as isize, - ) = *cpy.offset(1 as isize) - * *c0y.offset(1 as isize) - + *b00.offset(1 as isize); - *g - .offset( - 34 as isize, - ) = *c0y.offset(0 as isize) - * (yiyj + *c0y.offset(0 as isize)) - + *b10.offset(0 as isize); - *g - .offset( - 35 as isize, - ) = *c0y.offset(1 as isize) - * (yiyj + *c0y.offset(1 as isize)) - + *b10.offset(1 as isize); - *g - .offset( - 26 as isize, - ) = yiyj + *c0y.offset(0 as isize); - *g - .offset( - 27 as isize, - ) = yiyj + *c0y.offset(1 as isize); - *g - .offset( - 38 as isize, - ) = *g.offset(36 as isize) - * (yiyj + *c0y.offset(0 as isize)) + *g.offset(36 as isize) = + *cpy.offset(0 as isize) * *c0y.offset(0 as isize) + *b00.offset(0 as isize); + *g.offset(37 as isize) = + *cpy.offset(1 as isize) * *c0y.offset(1 as isize) + *b00.offset(1 as isize); + *g.offset(34 as isize) = + *c0y.offset(0 as isize) * (yiyj + *c0y.offset(0 as isize)) + *b10.offset(0 as isize); + *g.offset(35 as isize) = + *c0y.offset(1 as isize) * (yiyj + *c0y.offset(1 as isize)) + *b10.offset(1 as isize); + *g.offset(26 as isize) = yiyj + *c0y.offset(0 as isize); + *g.offset(27 as isize) = yiyj + *c0y.offset(1 as isize); + *g.offset(38 as isize) = *g.offset(36 as isize) * (yiyj + *c0y.offset(0 as isize)) + *c0y.offset(0 as isize) * *b00.offset(0 as isize) - + *b10.offset(0 as isize) - * *cpy.offset(0 as isize); - *g - .offset( - 39 as isize, - ) = *g.offset(37 as isize) - * (yiyj + *c0y.offset(1 as isize)) + + *b10.offset(0 as isize) * *cpy.offset(0 as isize); + *g.offset(39 as isize) = *g.offset(37 as isize) * (yiyj + *c0y.offset(1 as isize)) + *c0y.offset(1 as isize) * *b00.offset(1 as isize) - + *b10.offset(1 as isize) - * *cpy.offset(1 as isize); - *g - .offset( - 30 as isize, - ) = *cpy.offset(0 as isize) - * (yiyj + *c0y.offset(0 as isize)) - + *b00.offset(0 as isize); - *g - .offset( - 31 as isize, - ) = *cpy.offset(1 as isize) - * (yiyj + *c0y.offset(1 as isize)) - + *b00.offset(1 as isize); - *g - .offset( - 56 as isize, - ) = *c0z.offset(0 as isize) - * *g.offset(48 as isize); - *g - .offset( - 57 as isize, - ) = *c0z.offset(1 as isize) - * *g.offset(49 as isize); - *g - .offset( - 52 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(48 as isize); - *g - .offset( - 53 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(49 as isize); - *g - .offset( - 60 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(56 as isize) + + *b10.offset(1 as isize) * *cpy.offset(1 as isize); + *g.offset(30 as isize) = + *cpy.offset(0 as isize) * (yiyj + *c0y.offset(0 as isize)) + *b00.offset(0 as isize); + *g.offset(31 as isize) = + *cpy.offset(1 as isize) * (yiyj + *c0y.offset(1 as isize)) + *b00.offset(1 as isize); + *g.offset(56 as isize) = *c0z.offset(0 as isize) * *g.offset(48 as isize); + *g.offset(57 as isize) = *c0z.offset(1 as isize) * *g.offset(49 as isize); + *g.offset(52 as isize) = *cpz.offset(0 as isize) * *g.offset(48 as isize); + *g.offset(53 as isize) = *cpz.offset(1 as isize) * *g.offset(49 as isize); + *g.offset(60 as isize) = *cpz.offset(0 as isize) * *g.offset(56 as isize) + *b00.offset(0 as isize) * *g.offset(48 as isize); - *g - .offset( - 61 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(57 as isize) + *g.offset(61 as isize) = *cpz.offset(1 as isize) * *g.offset(57 as isize) + *b00.offset(1 as isize) * *g.offset(49 as isize); - *g - .offset( - 58 as isize, - ) = *g.offset(56 as isize) - * (zizj + *c0z.offset(0 as isize)) + *g.offset(58 as isize) = *g.offset(56 as isize) * (zizj + *c0z.offset(0 as isize)) + *b10.offset(0 as isize) * *g.offset(48 as isize); - *g - .offset( - 59 as isize, - ) = *g.offset(57 as isize) - * (zizj + *c0z.offset(1 as isize)) + *g.offset(59 as isize) = *g.offset(57 as isize) * (zizj + *c0z.offset(1 as isize)) + *b10.offset(1 as isize) * *g.offset(49 as isize); - *g - .offset( - 50 as isize, - ) = *g.offset(48 as isize) - * (zizj + *c0z.offset(0 as isize)); - *g - .offset( - 51 as isize, - ) = *g.offset(49 as isize) - * (zizj + *c0z.offset(1 as isize)); - *g - .offset( - 62 as isize, - ) = *g.offset(60 as isize) - * (zizj + *c0z.offset(0 as isize)) + *g.offset(50 as isize) = *g.offset(48 as isize) * (zizj + *c0z.offset(0 as isize)); + *g.offset(51 as isize) = *g.offset(49 as isize) * (zizj + *c0z.offset(1 as isize)); + *g.offset(62 as isize) = *g.offset(60 as isize) * (zizj + *c0z.offset(0 as isize)) + *b10.offset(0 as isize) * *g.offset(52 as isize) + *b00.offset(0 as isize) * *g.offset(56 as isize); - *g - .offset( - 63 as isize, - ) = *g.offset(61 as isize) - * (zizj + *c0z.offset(1 as isize)) + *g.offset(63 as isize) = *g.offset(61 as isize) * (zizj + *c0z.offset(1 as isize)) + *b10.offset(1 as isize) * *g.offset(53 as isize) + *b00.offset(1 as isize) * *g.offset(57 as isize); - *g - .offset( - 54 as isize, - ) = zizj * *g.offset(52 as isize) + *g.offset(54 as isize) = zizj * *g.offset(52 as isize) + *cpz.offset(0 as isize) * *g.offset(56 as isize) + *b00.offset(0 as isize) * *g.offset(48 as isize); - *g - .offset( - 55 as isize, - ) = zizj * *g.offset(53 as isize) + *g.offset(55 as isize) = zizj * *g.offset(53 as isize) + *cpz.offset(1 as isize) * *g.offset(57 as isize) + *b00.offset(1 as isize) * *g.offset(49 as isize); } @@ -4561,161 +2400,57 @@ unsafe extern "C" fn _g0_2d4d_1200( *g.offset(1 as isize) = 1 as f64; *g.offset(4 as isize) = *c0x.offset(0 as isize); *g.offset(5 as isize) = *c0x.offset(1 as isize); - *g - .offset( - 8 as isize, - ) = *c0x.offset(0 as isize) - * *c0x.offset(0 as isize) - + *b10.offset(0 as isize); - *g - .offset( - 9 as isize, - ) = *c0x.offset(1 as isize) - * *c0x.offset(1 as isize) - + *b10.offset(1 as isize); - *g - .offset( - 10 as isize, - ) = *g.offset(8 as isize) - * (xixj + *c0x.offset(0 as isize)) - + *c0x.offset(0 as isize) * 2 as f64 - * *b10.offset(0 as isize); - *g - .offset( - 11 as isize, - ) = *g.offset(9 as isize) - * (xixj + *c0x.offset(1 as isize)) - + *c0x.offset(1 as isize) * 2 as f64 - * *b10.offset(1 as isize); - *g - .offset( - 6 as isize, - ) = *c0x.offset(0 as isize) - * (xixj + *c0x.offset(0 as isize)) - + *b10.offset(0 as isize); - *g - .offset( - 7 as isize, - ) = *c0x.offset(1 as isize) - * (xixj + *c0x.offset(1 as isize)) - + *b10.offset(1 as isize); + *g.offset(8 as isize) = + *c0x.offset(0 as isize) * *c0x.offset(0 as isize) + *b10.offset(0 as isize); + *g.offset(9 as isize) = + *c0x.offset(1 as isize) * *c0x.offset(1 as isize) + *b10.offset(1 as isize); + *g.offset(10 as isize) = *g.offset(8 as isize) * (xixj + *c0x.offset(0 as isize)) + + *c0x.offset(0 as isize) * 2 as f64 * *b10.offset(0 as isize); + *g.offset(11 as isize) = *g.offset(9 as isize) * (xixj + *c0x.offset(1 as isize)) + + *c0x.offset(1 as isize) * 2 as f64 * *b10.offset(1 as isize); + *g.offset(6 as isize) = + *c0x.offset(0 as isize) * (xixj + *c0x.offset(0 as isize)) + *b10.offset(0 as isize); + *g.offset(7 as isize) = + *c0x.offset(1 as isize) * (xixj + *c0x.offset(1 as isize)) + *b10.offset(1 as isize); *g.offset(2 as isize) = xixj + *c0x.offset(0 as isize); *g.offset(3 as isize) = xixj + *c0x.offset(1 as isize); *g.offset(16 as isize) = 1 as f64; *g.offset(17 as isize) = 1 as f64; *g.offset(20 as isize) = *c0y.offset(0 as isize); *g.offset(21 as isize) = *c0y.offset(1 as isize); - *g - .offset( - 24 as isize, - ) = *c0y.offset(0 as isize) - * *c0y.offset(0 as isize) - + *b10.offset(0 as isize); - *g - .offset( - 25 as isize, - ) = *c0y.offset(1 as isize) - * *c0y.offset(1 as isize) - + *b10.offset(1 as isize); - *g - .offset( - 26 as isize, - ) = *g.offset(24 as isize) - * (yiyj + *c0y.offset(0 as isize)) - + *c0y.offset(0 as isize) * 2 as f64 - * *b10.offset(0 as isize); - *g - .offset( - 27 as isize, - ) = *g.offset(25 as isize) - * (yiyj + *c0y.offset(1 as isize)) - + *c0y.offset(1 as isize) * 2 as f64 - * *b10.offset(1 as isize); - *g - .offset( - 22 as isize, - ) = *c0y.offset(0 as isize) - * (yiyj + *c0y.offset(0 as isize)) - + *b10.offset(0 as isize); - *g - .offset( - 23 as isize, - ) = *c0y.offset(1 as isize) - * (yiyj + *c0y.offset(1 as isize)) - + *b10.offset(1 as isize); - *g - .offset( - 18 as isize, - ) = yiyj + *c0y.offset(0 as isize); - *g - .offset( - 19 as isize, - ) = yiyj + *c0y.offset(1 as isize); - *g - .offset( - 36 as isize, - ) = *c0z.offset(0 as isize) - * *g.offset(32 as isize); - *g - .offset( - 37 as isize, - ) = *c0z.offset(1 as isize) - * *g.offset(33 as isize); - *g - .offset( - 40 as isize, - ) = *c0z.offset(0 as isize) - * *g.offset(36 as isize) + *g.offset(24 as isize) = + *c0y.offset(0 as isize) * *c0y.offset(0 as isize) + *b10.offset(0 as isize); + *g.offset(25 as isize) = + *c0y.offset(1 as isize) * *c0y.offset(1 as isize) + *b10.offset(1 as isize); + *g.offset(26 as isize) = *g.offset(24 as isize) * (yiyj + *c0y.offset(0 as isize)) + + *c0y.offset(0 as isize) * 2 as f64 * *b10.offset(0 as isize); + *g.offset(27 as isize) = *g.offset(25 as isize) * (yiyj + *c0y.offset(1 as isize)) + + *c0y.offset(1 as isize) * 2 as f64 * *b10.offset(1 as isize); + *g.offset(22 as isize) = + *c0y.offset(0 as isize) * (yiyj + *c0y.offset(0 as isize)) + *b10.offset(0 as isize); + *g.offset(23 as isize) = + *c0y.offset(1 as isize) * (yiyj + *c0y.offset(1 as isize)) + *b10.offset(1 as isize); + *g.offset(18 as isize) = yiyj + *c0y.offset(0 as isize); + *g.offset(19 as isize) = yiyj + *c0y.offset(1 as isize); + *g.offset(36 as isize) = *c0z.offset(0 as isize) * *g.offset(32 as isize); + *g.offset(37 as isize) = *c0z.offset(1 as isize) * *g.offset(33 as isize); + *g.offset(40 as isize) = *c0z.offset(0 as isize) * *g.offset(36 as isize) + *b10.offset(0 as isize) * *g.offset(32 as isize); - *g - .offset( - 41 as isize, - ) = *c0z.offset(1 as isize) - * *g.offset(37 as isize) + *g.offset(41 as isize) = *c0z.offset(1 as isize) * *g.offset(37 as isize) + *b10.offset(1 as isize) * *g.offset(33 as isize); - *g - .offset( - 42 as isize, - ) = *g.offset(40 as isize) - * (zizj + *c0z.offset(0 as isize)) - + 2 as f64 * *b10.offset(0 as isize) - * *g.offset(36 as isize); - *g - .offset( - 43 as isize, - ) = *g.offset(41 as isize) - * (zizj + *c0z.offset(1 as isize)) - + 2 as f64 * *b10.offset(1 as isize) - * *g.offset(37 as isize); - *g - .offset( - 38 as isize, - ) = *g.offset(36 as isize) - * (zizj + *c0z.offset(0 as isize)) + *g.offset(42 as isize) = *g.offset(40 as isize) * (zizj + *c0z.offset(0 as isize)) + + 2 as f64 * *b10.offset(0 as isize) * *g.offset(36 as isize); + *g.offset(43 as isize) = *g.offset(41 as isize) * (zizj + *c0z.offset(1 as isize)) + + 2 as f64 * *b10.offset(1 as isize) * *g.offset(37 as isize); + *g.offset(38 as isize) = *g.offset(36 as isize) * (zizj + *c0z.offset(0 as isize)) + *b10.offset(0 as isize) * *g.offset(32 as isize); - *g - .offset( - 39 as isize, - ) = *g.offset(37 as isize) - * (zizj + *c0z.offset(1 as isize)) + *g.offset(39 as isize) = *g.offset(37 as isize) * (zizj + *c0z.offset(1 as isize)) + *b10.offset(1 as isize) * *g.offset(33 as isize); - *g - .offset( - 34 as isize, - ) = *g.offset(32 as isize) - * (zizj + *c0z.offset(0 as isize)); - *g - .offset( - 35 as isize, - ) = *g.offset(33 as isize) - * (zizj + *c0z.offset(1 as isize)); + *g.offset(34 as isize) = *g.offset(32 as isize) * (zizj + *c0z.offset(0 as isize)); + *g.offset(35 as isize) = *g.offset(33 as isize) * (zizj + *c0z.offset(1 as isize)); } #[inline] -unsafe extern "C" fn _g0_2d4d_2000( - mut g: *mut f64, - mut bc: *mut Rys2eT, - _envs: *mut CINTEnvVars, -) { +unsafe extern "C" fn _g0_2d4d_2000(mut g: *mut f64, mut bc: *mut Rys2eT, _envs: *mut CINTEnvVars) { let mut c0x: *mut f64 = ((*bc).c00x).as_mut_ptr(); let mut c0y: *mut f64 = ((*bc).c00y).as_mut_ptr(); let mut c0z: *mut f64 = ((*bc).c00z).as_mut_ptr(); @@ -4724,63 +2459,27 @@ unsafe extern "C" fn _g0_2d4d_2000( *g.offset(1 as isize) = 1 as f64; *g.offset(2 as isize) = *c0x.offset(0 as isize); *g.offset(3 as isize) = *c0x.offset(1 as isize); - *g - .offset( - 4 as isize, - ) = *c0x.offset(0 as isize) - * *c0x.offset(0 as isize) - + *b10.offset(0 as isize); - *g - .offset( - 5 as isize, - ) = *c0x.offset(1 as isize) - * *c0x.offset(1 as isize) - + *b10.offset(1 as isize); + *g.offset(4 as isize) = + *c0x.offset(0 as isize) * *c0x.offset(0 as isize) + *b10.offset(0 as isize); + *g.offset(5 as isize) = + *c0x.offset(1 as isize) * *c0x.offset(1 as isize) + *b10.offset(1 as isize); *g.offset(6 as isize) = 1 as f64; *g.offset(7 as isize) = 1 as f64; *g.offset(8 as isize) = *c0y.offset(0 as isize); *g.offset(9 as isize) = *c0y.offset(1 as isize); - *g - .offset( - 10 as isize, - ) = *c0y.offset(0 as isize) - * *c0y.offset(0 as isize) - + *b10.offset(0 as isize); - *g - .offset( - 11 as isize, - ) = *c0y.offset(1 as isize) - * *c0y.offset(1 as isize) - + *b10.offset(1 as isize); - *g - .offset( - 14 as isize, - ) = *c0z.offset(0 as isize) - * *g.offset(12 as isize); - *g - .offset( - 15 as isize, - ) = *c0z.offset(1 as isize) - * *g.offset(13 as isize); - *g - .offset( - 16 as isize, - ) = *c0z.offset(0 as isize) - * *g.offset(14 as isize) + *g.offset(10 as isize) = + *c0y.offset(0 as isize) * *c0y.offset(0 as isize) + *b10.offset(0 as isize); + *g.offset(11 as isize) = + *c0y.offset(1 as isize) * *c0y.offset(1 as isize) + *b10.offset(1 as isize); + *g.offset(14 as isize) = *c0z.offset(0 as isize) * *g.offset(12 as isize); + *g.offset(15 as isize) = *c0z.offset(1 as isize) * *g.offset(13 as isize); + *g.offset(16 as isize) = *c0z.offset(0 as isize) * *g.offset(14 as isize) + *b10.offset(0 as isize) * *g.offset(12 as isize); - *g - .offset( - 17 as isize, - ) = *c0z.offset(1 as isize) - * *g.offset(15 as isize) + *g.offset(17 as isize) = *c0z.offset(1 as isize) * *g.offset(15 as isize) + *b10.offset(1 as isize) * *g.offset(13 as isize); } #[inline] -unsafe extern "C" fn _g0_2d4d_2001( - mut g: *mut f64, - mut bc: *mut Rys2eT, - _envs: *mut CINTEnvVars, -) { +unsafe extern "C" fn _g0_2d4d_2001(mut g: *mut f64, mut bc: *mut Rys2eT, _envs: *mut CINTEnvVars) { let mut c0x: *mut f64 = ((*bc).c00x).as_mut_ptr(); let mut c0y: *mut f64 = ((*bc).c00y).as_mut_ptr(); let mut c0z: *mut f64 = ((*bc).c00z).as_mut_ptr(); @@ -4793,157 +2492,63 @@ unsafe extern "C" fn _g0_2d4d_2001( *g.offset(1 as isize) = 1 as f64; *g.offset(2 as isize) = *c0x.offset(0 as isize); *g.offset(3 as isize) = *c0x.offset(1 as isize); - *g - .offset( - 4 as isize, - ) = *c0x.offset(0 as isize) - * *c0x.offset(0 as isize) - + *b10.offset(0 as isize); - *g - .offset( - 5 as isize, - ) = *c0x.offset(1 as isize) - * *c0x.offset(1 as isize) - + *b10.offset(1 as isize); + *g.offset(4 as isize) = + *c0x.offset(0 as isize) * *c0x.offset(0 as isize) + *b10.offset(0 as isize); + *g.offset(5 as isize) = + *c0x.offset(1 as isize) * *c0x.offset(1 as isize) + *b10.offset(1 as isize); *g.offset(6 as isize) = *cpx.offset(0 as isize); *g.offset(7 as isize) = *cpx.offset(1 as isize); - *g - .offset( - 8 as isize, - ) = *cpx.offset(0 as isize) - * *c0x.offset(0 as isize) - + *b00.offset(0 as isize); - *g - .offset( - 9 as isize, - ) = *cpx.offset(1 as isize) - * *c0x.offset(1 as isize) - + *b00.offset(1 as isize); - *g - .offset( - 10 as isize, - ) = *c0x.offset(0 as isize) + *g.offset(8 as isize) = + *cpx.offset(0 as isize) * *c0x.offset(0 as isize) + *b00.offset(0 as isize); + *g.offset(9 as isize) = + *cpx.offset(1 as isize) * *c0x.offset(1 as isize) + *b00.offset(1 as isize); + *g.offset(10 as isize) = *c0x.offset(0 as isize) * (*g.offset(8 as isize) + *b00.offset(0 as isize)) - + *b10.offset(0 as isize) - * *cpx.offset(0 as isize); - *g - .offset( - 11 as isize, - ) = *c0x.offset(1 as isize) + + *b10.offset(0 as isize) * *cpx.offset(0 as isize); + *g.offset(11 as isize) = *c0x.offset(1 as isize) * (*g.offset(9 as isize) + *b00.offset(1 as isize)) - + *b10.offset(1 as isize) - * *cpx.offset(1 as isize); + + *b10.offset(1 as isize) * *cpx.offset(1 as isize); *g.offset(12 as isize) = 1 as f64; *g.offset(13 as isize) = 1 as f64; *g.offset(14 as isize) = *c0y.offset(0 as isize); *g.offset(15 as isize) = *c0y.offset(1 as isize); - *g - .offset( - 16 as isize, - ) = *c0y.offset(0 as isize) - * *c0y.offset(0 as isize) - + *b10.offset(0 as isize); - *g - .offset( - 17 as isize, - ) = *c0y.offset(1 as isize) - * *c0y.offset(1 as isize) - + *b10.offset(1 as isize); + *g.offset(16 as isize) = + *c0y.offset(0 as isize) * *c0y.offset(0 as isize) + *b10.offset(0 as isize); + *g.offset(17 as isize) = + *c0y.offset(1 as isize) * *c0y.offset(1 as isize) + *b10.offset(1 as isize); *g.offset(18 as isize) = *cpy.offset(0 as isize); *g.offset(19 as isize) = *cpy.offset(1 as isize); - *g - .offset( - 20 as isize, - ) = *cpy.offset(0 as isize) - * *c0y.offset(0 as isize) - + *b00.offset(0 as isize); - *g - .offset( - 21 as isize, - ) = *cpy.offset(1 as isize) - * *c0y.offset(1 as isize) - + *b00.offset(1 as isize); - *g - .offset( - 22 as isize, - ) = *c0y.offset(0 as isize) - * (*g.offset(20 as isize) - + *b00.offset(0 as isize)) - + *b10.offset(0 as isize) - * *cpy.offset(0 as isize); - *g - .offset( - 23 as isize, - ) = *c0y.offset(1 as isize) - * (*g.offset(21 as isize) - + *b00.offset(1 as isize)) - + *b10.offset(1 as isize) - * *cpy.offset(1 as isize); - *g - .offset( - 26 as isize, - ) = *c0z.offset(0 as isize) - * *g.offset(24 as isize); - *g - .offset( - 27 as isize, - ) = *c0z.offset(1 as isize) - * *g.offset(25 as isize); - *g - .offset( - 28 as isize, - ) = *c0z.offset(0 as isize) - * *g.offset(26 as isize) + *g.offset(20 as isize) = + *cpy.offset(0 as isize) * *c0y.offset(0 as isize) + *b00.offset(0 as isize); + *g.offset(21 as isize) = + *cpy.offset(1 as isize) * *c0y.offset(1 as isize) + *b00.offset(1 as isize); + *g.offset(22 as isize) = *c0y.offset(0 as isize) + * (*g.offset(20 as isize) + *b00.offset(0 as isize)) + + *b10.offset(0 as isize) * *cpy.offset(0 as isize); + *g.offset(23 as isize) = *c0y.offset(1 as isize) + * (*g.offset(21 as isize) + *b00.offset(1 as isize)) + + *b10.offset(1 as isize) * *cpy.offset(1 as isize); + *g.offset(26 as isize) = *c0z.offset(0 as isize) * *g.offset(24 as isize); + *g.offset(27 as isize) = *c0z.offset(1 as isize) * *g.offset(25 as isize); + *g.offset(28 as isize) = *c0z.offset(0 as isize) * *g.offset(26 as isize) + *b10.offset(0 as isize) * *g.offset(24 as isize); - *g - .offset( - 29 as isize, - ) = *c0z.offset(1 as isize) - * *g.offset(27 as isize) + *g.offset(29 as isize) = *c0z.offset(1 as isize) * *g.offset(27 as isize) + *b10.offset(1 as isize) * *g.offset(25 as isize); - *g - .offset( - 30 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(24 as isize); - *g - .offset( - 31 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(25 as isize); - *g - .offset( - 32 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(26 as isize) + *g.offset(30 as isize) = *cpz.offset(0 as isize) * *g.offset(24 as isize); + *g.offset(31 as isize) = *cpz.offset(1 as isize) * *g.offset(25 as isize); + *g.offset(32 as isize) = *cpz.offset(0 as isize) * *g.offset(26 as isize) + *b00.offset(0 as isize) * *g.offset(24 as isize); - *g - .offset( - 33 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(27 as isize) + *g.offset(33 as isize) = *cpz.offset(1 as isize) * *g.offset(27 as isize) + *b00.offset(1 as isize) * *g.offset(25 as isize); - *g - .offset( - 34 as isize, - ) = *c0z.offset(0 as isize) - * *g.offset(32 as isize) + *g.offset(34 as isize) = *c0z.offset(0 as isize) * *g.offset(32 as isize) + *b10.offset(0 as isize) * *g.offset(30 as isize) + *b00.offset(0 as isize) * *g.offset(26 as isize); - *g - .offset( - 35 as isize, - ) = *c0z.offset(1 as isize) - * *g.offset(33 as isize) + *g.offset(35 as isize) = *c0z.offset(1 as isize) * *g.offset(33 as isize) + *b10.offset(1 as isize) * *g.offset(31 as isize) + *b00.offset(1 as isize) * *g.offset(27 as isize); } #[inline] -unsafe extern "C" fn _g0_2d4d_2010( - mut g: *mut f64, - mut bc: *mut Rys2eT, - _envs: *mut CINTEnvVars, -) { +unsafe extern "C" fn _g0_2d4d_2010(mut g: *mut f64, mut bc: *mut Rys2eT, _envs: *mut CINTEnvVars) { let mut c0x: *mut f64 = ((*bc).c00x).as_mut_ptr(); let mut c0y: *mut f64 = ((*bc).c00y).as_mut_ptr(); let mut c0z: *mut f64 = ((*bc).c00z).as_mut_ptr(); @@ -4956,148 +2561,58 @@ unsafe extern "C" fn _g0_2d4d_2010( *g.offset(1 as isize) = 1 as f64; *g.offset(2 as isize) = *c0x.offset(0 as isize); *g.offset(3 as isize) = *c0x.offset(1 as isize); - *g - .offset( - 4 as isize, - ) = *c0x.offset(0 as isize) - * *c0x.offset(0 as isize) - + *b10.offset(0 as isize); - *g - .offset( - 5 as isize, - ) = *c0x.offset(1 as isize) - * *c0x.offset(1 as isize) - + *b10.offset(1 as isize); + *g.offset(4 as isize) = + *c0x.offset(0 as isize) * *c0x.offset(0 as isize) + *b10.offset(0 as isize); + *g.offset(5 as isize) = + *c0x.offset(1 as isize) * *c0x.offset(1 as isize) + *b10.offset(1 as isize); *g.offset(6 as isize) = *cpx.offset(0 as isize); *g.offset(7 as isize) = *cpx.offset(1 as isize); - *g - .offset( - 8 as isize, - ) = *cpx.offset(0 as isize) - * *c0x.offset(0 as isize) - + *b00.offset(0 as isize); - *g - .offset( - 9 as isize, - ) = *cpx.offset(1 as isize) - * *c0x.offset(1 as isize) - + *b00.offset(1 as isize); - *g - .offset( - 10 as isize, - ) = *c0x.offset(0 as isize) + *g.offset(8 as isize) = + *cpx.offset(0 as isize) * *c0x.offset(0 as isize) + *b00.offset(0 as isize); + *g.offset(9 as isize) = + *cpx.offset(1 as isize) * *c0x.offset(1 as isize) + *b00.offset(1 as isize); + *g.offset(10 as isize) = *c0x.offset(0 as isize) * (*g.offset(8 as isize) + *b00.offset(0 as isize)) - + *b10.offset(0 as isize) - * *cpx.offset(0 as isize); - *g - .offset( - 11 as isize, - ) = *c0x.offset(1 as isize) + + *b10.offset(0 as isize) * *cpx.offset(0 as isize); + *g.offset(11 as isize) = *c0x.offset(1 as isize) * (*g.offset(9 as isize) + *b00.offset(1 as isize)) - + *b10.offset(1 as isize) - * *cpx.offset(1 as isize); + + *b10.offset(1 as isize) * *cpx.offset(1 as isize); *g.offset(12 as isize) = 1 as f64; *g.offset(13 as isize) = 1 as f64; *g.offset(14 as isize) = *c0y.offset(0 as isize); *g.offset(15 as isize) = *c0y.offset(1 as isize); - *g - .offset( - 16 as isize, - ) = *c0y.offset(0 as isize) - * *c0y.offset(0 as isize) - + *b10.offset(0 as isize); - *g - .offset( - 17 as isize, - ) = *c0y.offset(1 as isize) - * *c0y.offset(1 as isize) - + *b10.offset(1 as isize); + *g.offset(16 as isize) = + *c0y.offset(0 as isize) * *c0y.offset(0 as isize) + *b10.offset(0 as isize); + *g.offset(17 as isize) = + *c0y.offset(1 as isize) * *c0y.offset(1 as isize) + *b10.offset(1 as isize); *g.offset(18 as isize) = *cpy.offset(0 as isize); *g.offset(19 as isize) = *cpy.offset(1 as isize); - *g - .offset( - 20 as isize, - ) = *cpy.offset(0 as isize) - * *c0y.offset(0 as isize) - + *b00.offset(0 as isize); - *g - .offset( - 21 as isize, - ) = *cpy.offset(1 as isize) - * *c0y.offset(1 as isize) - + *b00.offset(1 as isize); - *g - .offset( - 22 as isize, - ) = *c0y.offset(0 as isize) - * (*g.offset(20 as isize) - + *b00.offset(0 as isize)) - + *b10.offset(0 as isize) - * *cpy.offset(0 as isize); - *g - .offset( - 23 as isize, - ) = *c0y.offset(1 as isize) - * (*g.offset(21 as isize) - + *b00.offset(1 as isize)) - + *b10.offset(1 as isize) - * *cpy.offset(1 as isize); - *g - .offset( - 26 as isize, - ) = *c0z.offset(0 as isize) - * *g.offset(24 as isize); - *g - .offset( - 27 as isize, - ) = *c0z.offset(1 as isize) - * *g.offset(25 as isize); - *g - .offset( - 28 as isize, - ) = *c0z.offset(0 as isize) - * *g.offset(26 as isize) + *g.offset(20 as isize) = + *cpy.offset(0 as isize) * *c0y.offset(0 as isize) + *b00.offset(0 as isize); + *g.offset(21 as isize) = + *cpy.offset(1 as isize) * *c0y.offset(1 as isize) + *b00.offset(1 as isize); + *g.offset(22 as isize) = *c0y.offset(0 as isize) + * (*g.offset(20 as isize) + *b00.offset(0 as isize)) + + *b10.offset(0 as isize) * *cpy.offset(0 as isize); + *g.offset(23 as isize) = *c0y.offset(1 as isize) + * (*g.offset(21 as isize) + *b00.offset(1 as isize)) + + *b10.offset(1 as isize) * *cpy.offset(1 as isize); + *g.offset(26 as isize) = *c0z.offset(0 as isize) * *g.offset(24 as isize); + *g.offset(27 as isize) = *c0z.offset(1 as isize) * *g.offset(25 as isize); + *g.offset(28 as isize) = *c0z.offset(0 as isize) * *g.offset(26 as isize) + *b10.offset(0 as isize) * *g.offset(24 as isize); - *g - .offset( - 29 as isize, - ) = *c0z.offset(1 as isize) - * *g.offset(27 as isize) + *g.offset(29 as isize) = *c0z.offset(1 as isize) * *g.offset(27 as isize) + *b10.offset(1 as isize) * *g.offset(25 as isize); - *g - .offset( - 30 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(24 as isize); - *g - .offset( - 31 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(25 as isize); - *g - .offset( - 32 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(26 as isize) + *g.offset(30 as isize) = *cpz.offset(0 as isize) * *g.offset(24 as isize); + *g.offset(31 as isize) = *cpz.offset(1 as isize) * *g.offset(25 as isize); + *g.offset(32 as isize) = *cpz.offset(0 as isize) * *g.offset(26 as isize) + *b00.offset(0 as isize) * *g.offset(24 as isize); - *g - .offset( - 33 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(27 as isize) + *g.offset(33 as isize) = *cpz.offset(1 as isize) * *g.offset(27 as isize) + *b00.offset(1 as isize) * *g.offset(25 as isize); - *g - .offset( - 34 as isize, - ) = *c0z.offset(0 as isize) - * *g.offset(32 as isize) + *g.offset(34 as isize) = *c0z.offset(0 as isize) * *g.offset(32 as isize) + *b10.offset(0 as isize) * *g.offset(30 as isize) + *b00.offset(0 as isize) * *g.offset(26 as isize); - *g - .offset( - 35 as isize, - ) = *c0z.offset(1 as isize) - * *g.offset(33 as isize) + *g.offset(35 as isize) = *c0z.offset(1 as isize) * *g.offset(33 as isize) + *b10.offset(1 as isize) * *g.offset(31 as isize) + *b00.offset(1 as isize) * *g.offset(27 as isize); } @@ -5118,161 +2633,57 @@ unsafe extern "C" fn _g0_2d4d_2100( *g.offset(1 as isize) = 1 as f64; *g.offset(2 as isize) = *c0x.offset(0 as isize); *g.offset(3 as isize) = *c0x.offset(1 as isize); - *g - .offset( - 4 as isize, - ) = *c0x.offset(0 as isize) - * *c0x.offset(0 as isize) - + *b10.offset(0 as isize); - *g - .offset( - 5 as isize, - ) = *c0x.offset(1 as isize) - * *c0x.offset(1 as isize) - + *b10.offset(1 as isize); - *g - .offset( - 12 as isize, - ) = *g.offset(4 as isize) - * (xixj + *c0x.offset(0 as isize)) - + *c0x.offset(0 as isize) * 2 as f64 - * *b10.offset(0 as isize); - *g - .offset( - 13 as isize, - ) = *g.offset(5 as isize) - * (xixj + *c0x.offset(1 as isize)) - + *c0x.offset(1 as isize) * 2 as f64 - * *b10.offset(1 as isize); - *g - .offset( - 10 as isize, - ) = *c0x.offset(0 as isize) - * (xixj + *c0x.offset(0 as isize)) - + *b10.offset(0 as isize); - *g - .offset( - 11 as isize, - ) = *c0x.offset(1 as isize) - * (xixj + *c0x.offset(1 as isize)) - + *b10.offset(1 as isize); + *g.offset(4 as isize) = + *c0x.offset(0 as isize) * *c0x.offset(0 as isize) + *b10.offset(0 as isize); + *g.offset(5 as isize) = + *c0x.offset(1 as isize) * *c0x.offset(1 as isize) + *b10.offset(1 as isize); + *g.offset(12 as isize) = *g.offset(4 as isize) * (xixj + *c0x.offset(0 as isize)) + + *c0x.offset(0 as isize) * 2 as f64 * *b10.offset(0 as isize); + *g.offset(13 as isize) = *g.offset(5 as isize) * (xixj + *c0x.offset(1 as isize)) + + *c0x.offset(1 as isize) * 2 as f64 * *b10.offset(1 as isize); + *g.offset(10 as isize) = + *c0x.offset(0 as isize) * (xixj + *c0x.offset(0 as isize)) + *b10.offset(0 as isize); + *g.offset(11 as isize) = + *c0x.offset(1 as isize) * (xixj + *c0x.offset(1 as isize)) + *b10.offset(1 as isize); *g.offset(8 as isize) = xixj + *c0x.offset(0 as isize); *g.offset(9 as isize) = xixj + *c0x.offset(1 as isize); *g.offset(16 as isize) = 1 as f64; *g.offset(17 as isize) = 1 as f64; *g.offset(18 as isize) = *c0y.offset(0 as isize); *g.offset(19 as isize) = *c0y.offset(1 as isize); - *g - .offset( - 20 as isize, - ) = *c0y.offset(0 as isize) - * *c0y.offset(0 as isize) - + *b10.offset(0 as isize); - *g - .offset( - 21 as isize, - ) = *c0y.offset(1 as isize) - * *c0y.offset(1 as isize) - + *b10.offset(1 as isize); - *g - .offset( - 28 as isize, - ) = *g.offset(20 as isize) - * (yiyj + *c0y.offset(0 as isize)) - + *c0y.offset(0 as isize) * 2 as f64 - * *b10.offset(0 as isize); - *g - .offset( - 29 as isize, - ) = *g.offset(21 as isize) - * (yiyj + *c0y.offset(1 as isize)) - + *c0y.offset(1 as isize) * 2 as f64 - * *b10.offset(1 as isize); - *g - .offset( - 26 as isize, - ) = *c0y.offset(0 as isize) - * (yiyj + *c0y.offset(0 as isize)) - + *b10.offset(0 as isize); - *g - .offset( - 27 as isize, - ) = *c0y.offset(1 as isize) - * (yiyj + *c0y.offset(1 as isize)) - + *b10.offset(1 as isize); - *g - .offset( - 24 as isize, - ) = yiyj + *c0y.offset(0 as isize); - *g - .offset( - 25 as isize, - ) = yiyj + *c0y.offset(1 as isize); - *g - .offset( - 34 as isize, - ) = *c0z.offset(0 as isize) - * *g.offset(32 as isize); - *g - .offset( - 35 as isize, - ) = *c0z.offset(1 as isize) - * *g.offset(33 as isize); - *g - .offset( - 36 as isize, - ) = *c0z.offset(0 as isize) - * *g.offset(34 as isize) + *g.offset(20 as isize) = + *c0y.offset(0 as isize) * *c0y.offset(0 as isize) + *b10.offset(0 as isize); + *g.offset(21 as isize) = + *c0y.offset(1 as isize) * *c0y.offset(1 as isize) + *b10.offset(1 as isize); + *g.offset(28 as isize) = *g.offset(20 as isize) * (yiyj + *c0y.offset(0 as isize)) + + *c0y.offset(0 as isize) * 2 as f64 * *b10.offset(0 as isize); + *g.offset(29 as isize) = *g.offset(21 as isize) * (yiyj + *c0y.offset(1 as isize)) + + *c0y.offset(1 as isize) * 2 as f64 * *b10.offset(1 as isize); + *g.offset(26 as isize) = + *c0y.offset(0 as isize) * (yiyj + *c0y.offset(0 as isize)) + *b10.offset(0 as isize); + *g.offset(27 as isize) = + *c0y.offset(1 as isize) * (yiyj + *c0y.offset(1 as isize)) + *b10.offset(1 as isize); + *g.offset(24 as isize) = yiyj + *c0y.offset(0 as isize); + *g.offset(25 as isize) = yiyj + *c0y.offset(1 as isize); + *g.offset(34 as isize) = *c0z.offset(0 as isize) * *g.offset(32 as isize); + *g.offset(35 as isize) = *c0z.offset(1 as isize) * *g.offset(33 as isize); + *g.offset(36 as isize) = *c0z.offset(0 as isize) * *g.offset(34 as isize) + *b10.offset(0 as isize) * *g.offset(32 as isize); - *g - .offset( - 37 as isize, - ) = *c0z.offset(1 as isize) - * *g.offset(35 as isize) + *g.offset(37 as isize) = *c0z.offset(1 as isize) * *g.offset(35 as isize) + *b10.offset(1 as isize) * *g.offset(33 as isize); - *g - .offset( - 44 as isize, - ) = *g.offset(36 as isize) - * (zizj + *c0z.offset(0 as isize)) - + 2 as f64 * *b10.offset(0 as isize) - * *g.offset(34 as isize); - *g - .offset( - 45 as isize, - ) = *g.offset(37 as isize) - * (zizj + *c0z.offset(1 as isize)) - + 2 as f64 * *b10.offset(1 as isize) - * *g.offset(35 as isize); - *g - .offset( - 42 as isize, - ) = *g.offset(34 as isize) - * (zizj + *c0z.offset(0 as isize)) + *g.offset(44 as isize) = *g.offset(36 as isize) * (zizj + *c0z.offset(0 as isize)) + + 2 as f64 * *b10.offset(0 as isize) * *g.offset(34 as isize); + *g.offset(45 as isize) = *g.offset(37 as isize) * (zizj + *c0z.offset(1 as isize)) + + 2 as f64 * *b10.offset(1 as isize) * *g.offset(35 as isize); + *g.offset(42 as isize) = *g.offset(34 as isize) * (zizj + *c0z.offset(0 as isize)) + *b10.offset(0 as isize) * *g.offset(32 as isize); - *g - .offset( - 43 as isize, - ) = *g.offset(35 as isize) - * (zizj + *c0z.offset(1 as isize)) + *g.offset(43 as isize) = *g.offset(35 as isize) * (zizj + *c0z.offset(1 as isize)) + *b10.offset(1 as isize) * *g.offset(33 as isize); - *g - .offset( - 40 as isize, - ) = *g.offset(32 as isize) - * (zizj + *c0z.offset(0 as isize)); - *g - .offset( - 41 as isize, - ) = *g.offset(33 as isize) - * (zizj + *c0z.offset(1 as isize)); + *g.offset(40 as isize) = *g.offset(32 as isize) * (zizj + *c0z.offset(0 as isize)); + *g.offset(41 as isize) = *g.offset(33 as isize) * (zizj + *c0z.offset(1 as isize)); } #[inline] -unsafe extern "C" fn _g0_2d4d_3000( - mut g: *mut f64, - mut bc: *mut Rys2eT, - _envs: *mut CINTEnvVars, -) { +unsafe extern "C" fn _g0_2d4d_3000(mut g: *mut f64, mut bc: *mut Rys2eT, _envs: *mut CINTEnvVars) { let mut c0x: *mut f64 = ((*bc).c00x).as_mut_ptr(); let mut c0y: *mut f64 = ((*bc).c00y).as_mut_ptr(); let mut c0z: *mut f64 = ((*bc).c00z).as_mut_ptr(); @@ -5281,98 +2692,36 @@ unsafe extern "C" fn _g0_2d4d_3000( *g.offset(1 as isize) = 1 as f64; *g.offset(2 as isize) = *c0x.offset(0 as isize); *g.offset(3 as isize) = *c0x.offset(1 as isize); - *g - .offset( - 4 as isize, - ) = *c0x.offset(0 as isize) - * *c0x.offset(0 as isize) - + *b10.offset(0 as isize); - *g - .offset( - 5 as isize, - ) = *c0x.offset(1 as isize) - * *c0x.offset(1 as isize) - + *b10.offset(1 as isize); - *g - .offset( - 6 as isize, - ) = *c0x.offset(0 as isize) - * (*g.offset(4 as isize) - + 2 as f64 - * *b10.offset(0 as isize)); - *g - .offset( - 7 as isize, - ) = *c0x.offset(1 as isize) - * (*g.offset(5 as isize) - + 2 as f64 - * *b10.offset(1 as isize)); + *g.offset(4 as isize) = + *c0x.offset(0 as isize) * *c0x.offset(0 as isize) + *b10.offset(0 as isize); + *g.offset(5 as isize) = + *c0x.offset(1 as isize) * *c0x.offset(1 as isize) + *b10.offset(1 as isize); + *g.offset(6 as isize) = + *c0x.offset(0 as isize) * (*g.offset(4 as isize) + 2 as f64 * *b10.offset(0 as isize)); + *g.offset(7 as isize) = + *c0x.offset(1 as isize) * (*g.offset(5 as isize) + 2 as f64 * *b10.offset(1 as isize)); *g.offset(8 as isize) = 1 as f64; *g.offset(9 as isize) = 1 as f64; *g.offset(10 as isize) = *c0y.offset(0 as isize); *g.offset(11 as isize) = *c0y.offset(1 as isize); - *g - .offset( - 12 as isize, - ) = *c0y.offset(0 as isize) - * *c0y.offset(0 as isize) - + *b10.offset(0 as isize); - *g - .offset( - 13 as isize, - ) = *c0y.offset(1 as isize) - * *c0y.offset(1 as isize) - + *b10.offset(1 as isize); - *g - .offset( - 14 as isize, - ) = *c0y.offset(0 as isize) - * (*g.offset(12 as isize) - + 2 as f64 - * *b10.offset(0 as isize)); - *g - .offset( - 15 as isize, - ) = *c0y.offset(1 as isize) - * (*g.offset(13 as isize) - + 2 as f64 - * *b10.offset(1 as isize)); - *g - .offset( - 18 as isize, - ) = *c0z.offset(0 as isize) - * *g.offset(16 as isize); - *g - .offset( - 19 as isize, - ) = *c0z.offset(1 as isize) - * *g.offset(17 as isize); - *g - .offset( - 20 as isize, - ) = *c0z.offset(0 as isize) - * *g.offset(18 as isize) + *g.offset(12 as isize) = + *c0y.offset(0 as isize) * *c0y.offset(0 as isize) + *b10.offset(0 as isize); + *g.offset(13 as isize) = + *c0y.offset(1 as isize) * *c0y.offset(1 as isize) + *b10.offset(1 as isize); + *g.offset(14 as isize) = + *c0y.offset(0 as isize) * (*g.offset(12 as isize) + 2 as f64 * *b10.offset(0 as isize)); + *g.offset(15 as isize) = + *c0y.offset(1 as isize) * (*g.offset(13 as isize) + 2 as f64 * *b10.offset(1 as isize)); + *g.offset(18 as isize) = *c0z.offset(0 as isize) * *g.offset(16 as isize); + *g.offset(19 as isize) = *c0z.offset(1 as isize) * *g.offset(17 as isize); + *g.offset(20 as isize) = *c0z.offset(0 as isize) * *g.offset(18 as isize) + *b10.offset(0 as isize) * *g.offset(16 as isize); - *g - .offset( - 21 as isize, - ) = *c0z.offset(1 as isize) - * *g.offset(19 as isize) + *g.offset(21 as isize) = *c0z.offset(1 as isize) * *g.offset(19 as isize) + *b10.offset(1 as isize) * *g.offset(17 as isize); - *g - .offset( - 22 as isize, - ) = *c0z.offset(0 as isize) - * *g.offset(20 as isize) - + 2 as f64 * *b10.offset(0 as isize) - * *g.offset(18 as isize); - *g - .offset( - 23 as isize, - ) = *c0z.offset(1 as isize) - * *g.offset(21 as isize) - + 2 as f64 * *b10.offset(1 as isize) - * *g.offset(19 as isize); + *g.offset(22 as isize) = *c0z.offset(0 as isize) * *g.offset(20 as isize) + + 2 as f64 * *b10.offset(0 as isize) * *g.offset(18 as isize); + *g.offset(23 as isize) = *c0z.offset(1 as isize) * *g.offset(21 as isize) + + 2 as f64 * *b10.offset(1 as isize) * *g.offset(19 as isize); } #[no_mangle] pub unsafe extern "C" fn CINTg0_2e_2d4d_unrolled( @@ -5381,7 +2730,8 @@ pub unsafe extern "C" fn CINTg0_2e_2d4d_unrolled( mut envs: *mut CINTEnvVars, ) { let mut type_ijkl: i32 = (*envs).li_ceil << 6 as i32 - | (*envs).lj_ceil << 4 as i32 | (*envs).lk_ceil << 2 as i32 + | (*envs).lj_ceil << 4 as i32 + | (*envs).lk_ceil << 2 as i32 | (*envs).ll_ceil; match type_ijkl { 0 => { @@ -5526,15 +2876,16 @@ pub unsafe extern "C" fn CINTg0_2e_2d4d_unrolled( } _ => {} } - eprintln!("Dimension error for CINTg0_2e_lj2d4d: iklj = {} {} {} {}", - (*envs).li_ceil, (*envs).lk_ceil, (*envs).ll_ceil, (*envs).lj_ceil); + eprintln!( + "Dimension error for CINTg0_2e_lj2d4d: iklj = {} {} {} {}", + (*envs).li_ceil, + (*envs).lk_ceil, + (*envs).ll_ceil, + (*envs).lj_ceil + ); } #[inline] -unsafe extern "C" fn _srg0_2d4d_0000( - mut g: *mut f64, - _bc: *mut Rys2eT, - _envs: *mut CINTEnvVars, -) { +unsafe extern "C" fn _srg0_2d4d_0000(mut g: *mut f64, _bc: *mut Rys2eT, _envs: *mut CINTEnvVars) { *g.offset(0 as isize) = 1 as f64; *g.offset(1 as isize) = 1 as f64; *g.offset(2 as isize) = 1 as f64; @@ -5557,16 +2908,8 @@ unsafe extern "C" fn _srg0_2d4d_0001( *g.offset(5 as isize) = 1 as f64; *g.offset(6 as isize) = *cpy.offset(0 as isize); *g.offset(7 as isize) = *cpy.offset(1 as isize); - *g - .offset( - 10 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(8 as isize); - *g - .offset( - 11 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(9 as isize); + *g.offset(10 as isize) = *cpz.offset(0 as isize) * *g.offset(8 as isize); + *g.offset(11 as isize) = *cpz.offset(1 as isize) * *g.offset(9 as isize); } #[inline] unsafe extern "C" fn _srg0_2d4d_0002( @@ -5586,30 +2929,14 @@ unsafe extern "C" fn _srg0_2d4d_0002( *g.offset(5 as isize) = *cpx.offset(1 as isize); *g.offset(6 as isize) = *cpx.offset(2 as isize); *g.offset(7 as isize) = *cpx.offset(3 as isize); - *g - .offset( - 8 as isize, - ) = *cpx.offset(0 as isize) - * *cpx.offset(0 as isize) - + *b01.offset(0 as isize); - *g - .offset( - 9 as isize, - ) = *cpx.offset(1 as isize) - * *cpx.offset(1 as isize) - + *b01.offset(1 as isize); - *g - .offset( - 10 as isize, - ) = *cpx.offset(2 as isize) - * *cpx.offset(2 as isize) - + *b01.offset(2 as isize); - *g - .offset( - 11 as isize, - ) = *cpx.offset(3 as isize) - * *cpx.offset(3 as isize) - + *b01.offset(3 as isize); + *g.offset(8 as isize) = + *cpx.offset(0 as isize) * *cpx.offset(0 as isize) + *b01.offset(0 as isize); + *g.offset(9 as isize) = + *cpx.offset(1 as isize) * *cpx.offset(1 as isize) + *b01.offset(1 as isize); + *g.offset(10 as isize) = + *cpx.offset(2 as isize) * *cpx.offset(2 as isize) + *b01.offset(2 as isize); + *g.offset(11 as isize) = + *cpx.offset(3 as isize) * *cpx.offset(3 as isize) + *b01.offset(3 as isize); *g.offset(12 as isize) = 1 as f64; *g.offset(13 as isize) = 1 as f64; *g.offset(14 as isize) = 1 as f64; @@ -5618,73 +2945,25 @@ unsafe extern "C" fn _srg0_2d4d_0002( *g.offset(17 as isize) = *cpy.offset(1 as isize); *g.offset(18 as isize) = *cpy.offset(2 as isize); *g.offset(19 as isize) = *cpy.offset(3 as isize); - *g - .offset( - 20 as isize, - ) = *cpy.offset(0 as isize) - * *cpy.offset(0 as isize) - + *b01.offset(0 as isize); - *g - .offset( - 21 as isize, - ) = *cpy.offset(1 as isize) - * *cpy.offset(1 as isize) - + *b01.offset(1 as isize); - *g - .offset( - 22 as isize, - ) = *cpy.offset(2 as isize) - * *cpy.offset(2 as isize) - + *b01.offset(2 as isize); - *g - .offset( - 23 as isize, - ) = *cpy.offset(3 as isize) - * *cpy.offset(3 as isize) - + *b01.offset(3 as isize); - *g - .offset( - 28 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(24 as isize); - *g - .offset( - 29 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(25 as isize); - *g - .offset( - 30 as isize, - ) = *cpz.offset(2 as isize) - * *g.offset(26 as isize); - *g - .offset( - 31 as isize, - ) = *cpz.offset(3 as isize) - * *g.offset(27 as isize); - *g - .offset( - 32 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(28 as isize) + *g.offset(20 as isize) = + *cpy.offset(0 as isize) * *cpy.offset(0 as isize) + *b01.offset(0 as isize); + *g.offset(21 as isize) = + *cpy.offset(1 as isize) * *cpy.offset(1 as isize) + *b01.offset(1 as isize); + *g.offset(22 as isize) = + *cpy.offset(2 as isize) * *cpy.offset(2 as isize) + *b01.offset(2 as isize); + *g.offset(23 as isize) = + *cpy.offset(3 as isize) * *cpy.offset(3 as isize) + *b01.offset(3 as isize); + *g.offset(28 as isize) = *cpz.offset(0 as isize) * *g.offset(24 as isize); + *g.offset(29 as isize) = *cpz.offset(1 as isize) * *g.offset(25 as isize); + *g.offset(30 as isize) = *cpz.offset(2 as isize) * *g.offset(26 as isize); + *g.offset(31 as isize) = *cpz.offset(3 as isize) * *g.offset(27 as isize); + *g.offset(32 as isize) = *cpz.offset(0 as isize) * *g.offset(28 as isize) + *b01.offset(0 as isize) * *g.offset(24 as isize); - *g - .offset( - 33 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(29 as isize) + *g.offset(33 as isize) = *cpz.offset(1 as isize) * *g.offset(29 as isize) + *b01.offset(1 as isize) * *g.offset(25 as isize); - *g - .offset( - 34 as isize, - ) = *cpz.offset(2 as isize) - * *g.offset(30 as isize) + *g.offset(34 as isize) = *cpz.offset(2 as isize) * *g.offset(30 as isize) + *b01.offset(2 as isize) * *g.offset(26 as isize); - *g - .offset( - 35 as isize, - ) = *cpz.offset(3 as isize) - * *g.offset(31 as isize) + *g.offset(35 as isize) = *cpz.offset(3 as isize) * *g.offset(31 as isize) + *b01.offset(3 as isize) * *g.offset(27 as isize); } #[inline] @@ -5705,58 +2984,22 @@ unsafe extern "C" fn _srg0_2d4d_0003( *g.offset(5 as isize) = *cpx.offset(1 as isize); *g.offset(6 as isize) = *cpx.offset(2 as isize); *g.offset(7 as isize) = *cpx.offset(3 as isize); - *g - .offset( - 8 as isize, - ) = *cpx.offset(0 as isize) - * *cpx.offset(0 as isize) - + *b01.offset(0 as isize); - *g - .offset( - 9 as isize, - ) = *cpx.offset(1 as isize) - * *cpx.offset(1 as isize) - + *b01.offset(1 as isize); - *g - .offset( - 10 as isize, - ) = *cpx.offset(2 as isize) - * *cpx.offset(2 as isize) - + *b01.offset(2 as isize); - *g - .offset( - 11 as isize, - ) = *cpx.offset(3 as isize) - * *cpx.offset(3 as isize) - + *b01.offset(3 as isize); - *g - .offset( - 12 as isize, - ) = *cpx.offset(0 as isize) - * (*g.offset(8 as isize) - + 2 as f64 - * *b01.offset(0 as isize)); - *g - .offset( - 13 as isize, - ) = *cpx.offset(1 as isize) - * (*g.offset(9 as isize) - + 2 as f64 - * *b01.offset(1 as isize)); - *g - .offset( - 14 as isize, - ) = *cpx.offset(2 as isize) - * (*g.offset(10 as isize) - + 2 as f64 - * *b01.offset(2 as isize)); - *g - .offset( - 15 as isize, - ) = *cpx.offset(3 as isize) - * (*g.offset(11 as isize) - + 2 as f64 - * *b01.offset(3 as isize)); + *g.offset(8 as isize) = + *cpx.offset(0 as isize) * *cpx.offset(0 as isize) + *b01.offset(0 as isize); + *g.offset(9 as isize) = + *cpx.offset(1 as isize) * *cpx.offset(1 as isize) + *b01.offset(1 as isize); + *g.offset(10 as isize) = + *cpx.offset(2 as isize) * *cpx.offset(2 as isize) + *b01.offset(2 as isize); + *g.offset(11 as isize) = + *cpx.offset(3 as isize) * *cpx.offset(3 as isize) + *b01.offset(3 as isize); + *g.offset(12 as isize) = + *cpx.offset(0 as isize) * (*g.offset(8 as isize) + 2 as f64 * *b01.offset(0 as isize)); + *g.offset(13 as isize) = + *cpx.offset(1 as isize) * (*g.offset(9 as isize) + 2 as f64 * *b01.offset(1 as isize)); + *g.offset(14 as isize) = + *cpx.offset(2 as isize) * (*g.offset(10 as isize) + 2 as f64 * *b01.offset(2 as isize)); + *g.offset(15 as isize) = + *cpx.offset(3 as isize) * (*g.offset(11 as isize) + 2 as f64 * *b01.offset(3 as isize)); *g.offset(16 as isize) = 1 as f64; *g.offset(17 as isize) = 1 as f64; *g.offset(18 as isize) = 1 as f64; @@ -5765,130 +3008,42 @@ unsafe extern "C" fn _srg0_2d4d_0003( *g.offset(21 as isize) = *cpy.offset(1 as isize); *g.offset(22 as isize) = *cpy.offset(2 as isize); *g.offset(23 as isize) = *cpy.offset(3 as isize); - *g - .offset( - 24 as isize, - ) = *cpy.offset(0 as isize) - * *cpy.offset(0 as isize) - + *b01.offset(0 as isize); - *g - .offset( - 25 as isize, - ) = *cpy.offset(1 as isize) - * *cpy.offset(1 as isize) - + *b01.offset(1 as isize); - *g - .offset( - 26 as isize, - ) = *cpy.offset(2 as isize) - * *cpy.offset(2 as isize) - + *b01.offset(2 as isize); - *g - .offset( - 27 as isize, - ) = *cpy.offset(3 as isize) - * *cpy.offset(3 as isize) - + *b01.offset(3 as isize); - *g - .offset( - 28 as isize, - ) = *cpy.offset(0 as isize) - * (*g.offset(24 as isize) - + 2 as f64 - * *b01.offset(0 as isize)); - *g - .offset( - 29 as isize, - ) = *cpy.offset(1 as isize) - * (*g.offset(25 as isize) - + 2 as f64 - * *b01.offset(1 as isize)); - *g - .offset( - 30 as isize, - ) = *cpy.offset(2 as isize) - * (*g.offset(26 as isize) - + 2 as f64 - * *b01.offset(2 as isize)); - *g - .offset( - 31 as isize, - ) = *cpy.offset(3 as isize) - * (*g.offset(27 as isize) - + 2 as f64 - * *b01.offset(3 as isize)); - *g - .offset( - 36 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(32 as isize); - *g - .offset( - 37 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(33 as isize); - *g - .offset( - 38 as isize, - ) = *cpz.offset(2 as isize) - * *g.offset(34 as isize); - *g - .offset( - 39 as isize, - ) = *cpz.offset(3 as isize) - * *g.offset(35 as isize); - *g - .offset( - 40 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(36 as isize) + *g.offset(24 as isize) = + *cpy.offset(0 as isize) * *cpy.offset(0 as isize) + *b01.offset(0 as isize); + *g.offset(25 as isize) = + *cpy.offset(1 as isize) * *cpy.offset(1 as isize) + *b01.offset(1 as isize); + *g.offset(26 as isize) = + *cpy.offset(2 as isize) * *cpy.offset(2 as isize) + *b01.offset(2 as isize); + *g.offset(27 as isize) = + *cpy.offset(3 as isize) * *cpy.offset(3 as isize) + *b01.offset(3 as isize); + *g.offset(28 as isize) = + *cpy.offset(0 as isize) * (*g.offset(24 as isize) + 2 as f64 * *b01.offset(0 as isize)); + *g.offset(29 as isize) = + *cpy.offset(1 as isize) * (*g.offset(25 as isize) + 2 as f64 * *b01.offset(1 as isize)); + *g.offset(30 as isize) = + *cpy.offset(2 as isize) * (*g.offset(26 as isize) + 2 as f64 * *b01.offset(2 as isize)); + *g.offset(31 as isize) = + *cpy.offset(3 as isize) * (*g.offset(27 as isize) + 2 as f64 * *b01.offset(3 as isize)); + *g.offset(36 as isize) = *cpz.offset(0 as isize) * *g.offset(32 as isize); + *g.offset(37 as isize) = *cpz.offset(1 as isize) * *g.offset(33 as isize); + *g.offset(38 as isize) = *cpz.offset(2 as isize) * *g.offset(34 as isize); + *g.offset(39 as isize) = *cpz.offset(3 as isize) * *g.offset(35 as isize); + *g.offset(40 as isize) = *cpz.offset(0 as isize) * *g.offset(36 as isize) + *b01.offset(0 as isize) * *g.offset(32 as isize); - *g - .offset( - 41 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(37 as isize) + *g.offset(41 as isize) = *cpz.offset(1 as isize) * *g.offset(37 as isize) + *b01.offset(1 as isize) * *g.offset(33 as isize); - *g - .offset( - 42 as isize, - ) = *cpz.offset(2 as isize) - * *g.offset(38 as isize) + *g.offset(42 as isize) = *cpz.offset(2 as isize) * *g.offset(38 as isize) + *b01.offset(2 as isize) * *g.offset(34 as isize); - *g - .offset( - 43 as isize, - ) = *cpz.offset(3 as isize) - * *g.offset(39 as isize) + *g.offset(43 as isize) = *cpz.offset(3 as isize) * *g.offset(39 as isize) + *b01.offset(3 as isize) * *g.offset(35 as isize); - *g - .offset( - 44 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(40 as isize) - + 2 as f64 * *b01.offset(0 as isize) - * *g.offset(36 as isize); - *g - .offset( - 45 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(41 as isize) - + 2 as f64 * *b01.offset(1 as isize) - * *g.offset(37 as isize); - *g - .offset( - 46 as isize, - ) = *cpz.offset(2 as isize) - * *g.offset(42 as isize) - + 2 as f64 * *b01.offset(2 as isize) - * *g.offset(38 as isize); - *g - .offset( - 47 as isize, - ) = *cpz.offset(3 as isize) - * *g.offset(43 as isize) - + 2 as f64 * *b01.offset(3 as isize) - * *g.offset(39 as isize); + *g.offset(44 as isize) = *cpz.offset(0 as isize) * *g.offset(40 as isize) + + 2 as f64 * *b01.offset(0 as isize) * *g.offset(36 as isize); + *g.offset(45 as isize) = *cpz.offset(1 as isize) * *g.offset(41 as isize) + + 2 as f64 * *b01.offset(1 as isize) * *g.offset(37 as isize); + *g.offset(46 as isize) = *cpz.offset(2 as isize) * *g.offset(42 as isize) + + 2 as f64 * *b01.offset(2 as isize) * *g.offset(38 as isize); + *g.offset(47 as isize) = *cpz.offset(3 as isize) * *g.offset(43 as isize) + + 2 as f64 * *b01.offset(3 as isize) * *g.offset(39 as isize); } #[inline] unsafe extern "C" fn _srg0_2d4d_0010( @@ -5907,16 +3062,8 @@ unsafe extern "C" fn _srg0_2d4d_0010( *g.offset(5 as isize) = 1 as f64; *g.offset(6 as isize) = *cpy.offset(0 as isize); *g.offset(7 as isize) = *cpy.offset(1 as isize); - *g - .offset( - 10 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(8 as isize); - *g - .offset( - 11 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(9 as isize); + *g.offset(10 as isize) = *cpz.offset(0 as isize) * *g.offset(8 as isize); + *g.offset(11 as isize) = *cpz.offset(1 as isize) * *g.offset(9 as isize); } #[inline] unsafe extern "C" fn _srg0_2d4d_0011( @@ -5939,30 +3086,14 @@ unsafe extern "C" fn _srg0_2d4d_0011( *g.offset(9 as isize) = *cpx.offset(1 as isize); *g.offset(10 as isize) = *cpx.offset(2 as isize); *g.offset(11 as isize) = *cpx.offset(3 as isize); - *g - .offset( - 12 as isize, - ) = *cpx.offset(0 as isize) - * (xkxl + *cpx.offset(0 as isize)) - + *b01.offset(0 as isize); - *g - .offset( - 13 as isize, - ) = *cpx.offset(1 as isize) - * (xkxl + *cpx.offset(1 as isize)) - + *b01.offset(1 as isize); - *g - .offset( - 14 as isize, - ) = *cpx.offset(2 as isize) - * (xkxl + *cpx.offset(2 as isize)) - + *b01.offset(2 as isize); - *g - .offset( - 15 as isize, - ) = *cpx.offset(3 as isize) - * (xkxl + *cpx.offset(3 as isize)) - + *b01.offset(3 as isize); + *g.offset(12 as isize) = + *cpx.offset(0 as isize) * (xkxl + *cpx.offset(0 as isize)) + *b01.offset(0 as isize); + *g.offset(13 as isize) = + *cpx.offset(1 as isize) * (xkxl + *cpx.offset(1 as isize)) + *b01.offset(1 as isize); + *g.offset(14 as isize) = + *cpx.offset(2 as isize) * (xkxl + *cpx.offset(2 as isize)) + *b01.offset(2 as isize); + *g.offset(15 as isize) = + *cpx.offset(3 as isize) * (xkxl + *cpx.offset(3 as isize)) + *b01.offset(3 as isize); *g.offset(4 as isize) = xkxl + *cpx.offset(0 as isize); *g.offset(5 as isize) = xkxl + *cpx.offset(1 as isize); *g.offset(6 as isize) = xkxl + *cpx.offset(2 as isize); @@ -5975,110 +3106,34 @@ unsafe extern "C" fn _srg0_2d4d_0011( *g.offset(33 as isize) = *cpy.offset(1 as isize); *g.offset(34 as isize) = *cpy.offset(2 as isize); *g.offset(35 as isize) = *cpy.offset(3 as isize); - *g - .offset( - 36 as isize, - ) = *cpy.offset(0 as isize) - * (ykyl + *cpy.offset(0 as isize)) - + *b01.offset(0 as isize); - *g - .offset( - 37 as isize, - ) = *cpy.offset(1 as isize) - * (ykyl + *cpy.offset(1 as isize)) - + *b01.offset(1 as isize); - *g - .offset( - 38 as isize, - ) = *cpy.offset(2 as isize) - * (ykyl + *cpy.offset(2 as isize)) - + *b01.offset(2 as isize); - *g - .offset( - 39 as isize, - ) = *cpy.offset(3 as isize) - * (ykyl + *cpy.offset(3 as isize)) - + *b01.offset(3 as isize); - *g - .offset( - 28 as isize, - ) = ykyl + *cpy.offset(0 as isize); - *g - .offset( - 29 as isize, - ) = ykyl + *cpy.offset(1 as isize); - *g - .offset( - 30 as isize, - ) = ykyl + *cpy.offset(2 as isize); - *g - .offset( - 31 as isize, - ) = ykyl + *cpy.offset(3 as isize); - *g - .offset( - 56 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(48 as isize); - *g - .offset( - 57 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(49 as isize); - *g - .offset( - 58 as isize, - ) = *cpz.offset(2 as isize) - * *g.offset(50 as isize); - *g - .offset( - 59 as isize, - ) = *cpz.offset(3 as isize) - * *g.offset(51 as isize); - *g - .offset( - 60 as isize, - ) = *g.offset(56 as isize) - * (zkzl + *cpz.offset(0 as isize)) + *g.offset(36 as isize) = + *cpy.offset(0 as isize) * (ykyl + *cpy.offset(0 as isize)) + *b01.offset(0 as isize); + *g.offset(37 as isize) = + *cpy.offset(1 as isize) * (ykyl + *cpy.offset(1 as isize)) + *b01.offset(1 as isize); + *g.offset(38 as isize) = + *cpy.offset(2 as isize) * (ykyl + *cpy.offset(2 as isize)) + *b01.offset(2 as isize); + *g.offset(39 as isize) = + *cpy.offset(3 as isize) * (ykyl + *cpy.offset(3 as isize)) + *b01.offset(3 as isize); + *g.offset(28 as isize) = ykyl + *cpy.offset(0 as isize); + *g.offset(29 as isize) = ykyl + *cpy.offset(1 as isize); + *g.offset(30 as isize) = ykyl + *cpy.offset(2 as isize); + *g.offset(31 as isize) = ykyl + *cpy.offset(3 as isize); + *g.offset(56 as isize) = *cpz.offset(0 as isize) * *g.offset(48 as isize); + *g.offset(57 as isize) = *cpz.offset(1 as isize) * *g.offset(49 as isize); + *g.offset(58 as isize) = *cpz.offset(2 as isize) * *g.offset(50 as isize); + *g.offset(59 as isize) = *cpz.offset(3 as isize) * *g.offset(51 as isize); + *g.offset(60 as isize) = *g.offset(56 as isize) * (zkzl + *cpz.offset(0 as isize)) + *b01.offset(0 as isize) * *g.offset(48 as isize); - *g - .offset( - 61 as isize, - ) = *g.offset(57 as isize) - * (zkzl + *cpz.offset(1 as isize)) + *g.offset(61 as isize) = *g.offset(57 as isize) * (zkzl + *cpz.offset(1 as isize)) + *b01.offset(1 as isize) * *g.offset(49 as isize); - *g - .offset( - 62 as isize, - ) = *g.offset(58 as isize) - * (zkzl + *cpz.offset(2 as isize)) + *g.offset(62 as isize) = *g.offset(58 as isize) * (zkzl + *cpz.offset(2 as isize)) + *b01.offset(2 as isize) * *g.offset(50 as isize); - *g - .offset( - 63 as isize, - ) = *g.offset(59 as isize) - * (zkzl + *cpz.offset(3 as isize)) + *g.offset(63 as isize) = *g.offset(59 as isize) * (zkzl + *cpz.offset(3 as isize)) + *b01.offset(3 as isize) * *g.offset(51 as isize); - *g - .offset( - 52 as isize, - ) = *g.offset(48 as isize) - * (zkzl + *cpz.offset(0 as isize)); - *g - .offset( - 53 as isize, - ) = *g.offset(49 as isize) - * (zkzl + *cpz.offset(1 as isize)); - *g - .offset( - 54 as isize, - ) = *g.offset(50 as isize) - * (zkzl + *cpz.offset(2 as isize)); - *g - .offset( - 55 as isize, - ) = *g.offset(51 as isize) - * (zkzl + *cpz.offset(3 as isize)); + *g.offset(52 as isize) = *g.offset(48 as isize) * (zkzl + *cpz.offset(0 as isize)); + *g.offset(53 as isize) = *g.offset(49 as isize) * (zkzl + *cpz.offset(1 as isize)); + *g.offset(54 as isize) = *g.offset(50 as isize) * (zkzl + *cpz.offset(2 as isize)); + *g.offset(55 as isize) = *g.offset(51 as isize) * (zkzl + *cpz.offset(3 as isize)); } #[inline] unsafe extern "C" fn _srg0_2d4d_0012( @@ -6101,82 +3156,30 @@ unsafe extern "C" fn _srg0_2d4d_0012( *g.offset(9 as isize) = *cpx.offset(1 as isize); *g.offset(10 as isize) = *cpx.offset(2 as isize); *g.offset(11 as isize) = *cpx.offset(3 as isize); - *g - .offset( - 16 as isize, - ) = *cpx.offset(0 as isize) - * *cpx.offset(0 as isize) - + *b01.offset(0 as isize); - *g - .offset( - 17 as isize, - ) = *cpx.offset(1 as isize) - * *cpx.offset(1 as isize) - + *b01.offset(1 as isize); - *g - .offset( - 18 as isize, - ) = *cpx.offset(2 as isize) - * *cpx.offset(2 as isize) - + *b01.offset(2 as isize); - *g - .offset( - 19 as isize, - ) = *cpx.offset(3 as isize) - * *cpx.offset(3 as isize) - + *b01.offset(3 as isize); - *g - .offset( - 20 as isize, - ) = *g.offset(16 as isize) - * (xkxl + *cpx.offset(0 as isize)) - + *cpx.offset(0 as isize) * 2 as f64 - * *b01.offset(0 as isize); - *g - .offset( - 21 as isize, - ) = *g.offset(17 as isize) - * (xkxl + *cpx.offset(1 as isize)) - + *cpx.offset(1 as isize) * 2 as f64 - * *b01.offset(1 as isize); - *g - .offset( - 22 as isize, - ) = *g.offset(18 as isize) - * (xkxl + *cpx.offset(2 as isize)) - + *cpx.offset(2 as isize) * 2 as f64 - * *b01.offset(2 as isize); - *g - .offset( - 23 as isize, - ) = *g.offset(19 as isize) - * (xkxl + *cpx.offset(3 as isize)) - + *cpx.offset(3 as isize) * 2 as f64 - * *b01.offset(3 as isize); - *g - .offset( - 12 as isize, - ) = *cpx.offset(0 as isize) - * (xkxl + *cpx.offset(0 as isize)) - + *b01.offset(0 as isize); - *g - .offset( - 13 as isize, - ) = *cpx.offset(1 as isize) - * (xkxl + *cpx.offset(1 as isize)) - + *b01.offset(1 as isize); - *g - .offset( - 14 as isize, - ) = *cpx.offset(2 as isize) - * (xkxl + *cpx.offset(2 as isize)) - + *b01.offset(2 as isize); - *g - .offset( - 15 as isize, - ) = *cpx.offset(3 as isize) - * (xkxl + *cpx.offset(3 as isize)) - + *b01.offset(3 as isize); + *g.offset(16 as isize) = + *cpx.offset(0 as isize) * *cpx.offset(0 as isize) + *b01.offset(0 as isize); + *g.offset(17 as isize) = + *cpx.offset(1 as isize) * *cpx.offset(1 as isize) + *b01.offset(1 as isize); + *g.offset(18 as isize) = + *cpx.offset(2 as isize) * *cpx.offset(2 as isize) + *b01.offset(2 as isize); + *g.offset(19 as isize) = + *cpx.offset(3 as isize) * *cpx.offset(3 as isize) + *b01.offset(3 as isize); + *g.offset(20 as isize) = *g.offset(16 as isize) * (xkxl + *cpx.offset(0 as isize)) + + *cpx.offset(0 as isize) * 2 as f64 * *b01.offset(0 as isize); + *g.offset(21 as isize) = *g.offset(17 as isize) * (xkxl + *cpx.offset(1 as isize)) + + *cpx.offset(1 as isize) * 2 as f64 * *b01.offset(1 as isize); + *g.offset(22 as isize) = *g.offset(18 as isize) * (xkxl + *cpx.offset(2 as isize)) + + *cpx.offset(2 as isize) * 2 as f64 * *b01.offset(2 as isize); + *g.offset(23 as isize) = *g.offset(19 as isize) * (xkxl + *cpx.offset(3 as isize)) + + *cpx.offset(3 as isize) * 2 as f64 * *b01.offset(3 as isize); + *g.offset(12 as isize) = + *cpx.offset(0 as isize) * (xkxl + *cpx.offset(0 as isize)) + *b01.offset(0 as isize); + *g.offset(13 as isize) = + *cpx.offset(1 as isize) * (xkxl + *cpx.offset(1 as isize)) + *b01.offset(1 as isize); + *g.offset(14 as isize) = + *cpx.offset(2 as isize) * (xkxl + *cpx.offset(2 as isize)) + *b01.offset(2 as isize); + *g.offset(15 as isize) = + *cpx.offset(3 as isize) * (xkxl + *cpx.offset(3 as isize)) + *b01.offset(3 as isize); *g.offset(4 as isize) = xkxl + *cpx.offset(0 as isize); *g.offset(5 as isize) = xkxl + *cpx.offset(1 as isize); *g.offset(6 as isize) = xkxl + *cpx.offset(2 as isize); @@ -6189,214 +3192,66 @@ unsafe extern "C" fn _srg0_2d4d_0012( *g.offset(41 as isize) = *cpy.offset(1 as isize); *g.offset(42 as isize) = *cpy.offset(2 as isize); *g.offset(43 as isize) = *cpy.offset(3 as isize); - *g - .offset( - 48 as isize, - ) = *cpy.offset(0 as isize) - * *cpy.offset(0 as isize) - + *b01.offset(0 as isize); - *g - .offset( - 49 as isize, - ) = *cpy.offset(1 as isize) - * *cpy.offset(1 as isize) - + *b01.offset(1 as isize); - *g - .offset( - 50 as isize, - ) = *cpy.offset(2 as isize) - * *cpy.offset(2 as isize) - + *b01.offset(2 as isize); - *g - .offset( - 51 as isize, - ) = *cpy.offset(3 as isize) - * *cpy.offset(3 as isize) - + *b01.offset(3 as isize); - *g - .offset( - 52 as isize, - ) = *g.offset(48 as isize) - * (ykyl + *cpy.offset(0 as isize)) - + *cpy.offset(0 as isize) * 2 as f64 - * *b01.offset(0 as isize); - *g - .offset( - 53 as isize, - ) = *g.offset(49 as isize) - * (ykyl + *cpy.offset(1 as isize)) - + *cpy.offset(1 as isize) * 2 as f64 - * *b01.offset(1 as isize); - *g - .offset( - 54 as isize, - ) = *g.offset(50 as isize) - * (ykyl + *cpy.offset(2 as isize)) - + *cpy.offset(2 as isize) * 2 as f64 - * *b01.offset(2 as isize); - *g - .offset( - 55 as isize, - ) = *g.offset(51 as isize) - * (ykyl + *cpy.offset(3 as isize)) - + *cpy.offset(3 as isize) * 2 as f64 - * *b01.offset(3 as isize); - *g - .offset( - 44 as isize, - ) = *cpy.offset(0 as isize) - * (ykyl + *cpy.offset(0 as isize)) - + *b01.offset(0 as isize); - *g - .offset( - 45 as isize, - ) = *cpy.offset(1 as isize) - * (ykyl + *cpy.offset(1 as isize)) - + *b01.offset(1 as isize); - *g - .offset( - 46 as isize, - ) = *cpy.offset(2 as isize) - * (ykyl + *cpy.offset(2 as isize)) - + *b01.offset(2 as isize); - *g - .offset( - 47 as isize, - ) = *cpy.offset(3 as isize) - * (ykyl + *cpy.offset(3 as isize)) - + *b01.offset(3 as isize); - *g - .offset( - 36 as isize, - ) = ykyl + *cpy.offset(0 as isize); - *g - .offset( - 37 as isize, - ) = ykyl + *cpy.offset(1 as isize); - *g - .offset( - 38 as isize, - ) = ykyl + *cpy.offset(2 as isize); - *g - .offset( - 39 as isize, - ) = ykyl + *cpy.offset(3 as isize); - *g - .offset( - 72 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(64 as isize); - *g - .offset( - 73 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(65 as isize); - *g - .offset( - 74 as isize, - ) = *cpz.offset(2 as isize) - * *g.offset(66 as isize); - *g - .offset( - 75 as isize, - ) = *cpz.offset(3 as isize) - * *g.offset(67 as isize); - *g - .offset( - 80 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(72 as isize) + *g.offset(48 as isize) = + *cpy.offset(0 as isize) * *cpy.offset(0 as isize) + *b01.offset(0 as isize); + *g.offset(49 as isize) = + *cpy.offset(1 as isize) * *cpy.offset(1 as isize) + *b01.offset(1 as isize); + *g.offset(50 as isize) = + *cpy.offset(2 as isize) * *cpy.offset(2 as isize) + *b01.offset(2 as isize); + *g.offset(51 as isize) = + *cpy.offset(3 as isize) * *cpy.offset(3 as isize) + *b01.offset(3 as isize); + *g.offset(52 as isize) = *g.offset(48 as isize) * (ykyl + *cpy.offset(0 as isize)) + + *cpy.offset(0 as isize) * 2 as f64 * *b01.offset(0 as isize); + *g.offset(53 as isize) = *g.offset(49 as isize) * (ykyl + *cpy.offset(1 as isize)) + + *cpy.offset(1 as isize) * 2 as f64 * *b01.offset(1 as isize); + *g.offset(54 as isize) = *g.offset(50 as isize) * (ykyl + *cpy.offset(2 as isize)) + + *cpy.offset(2 as isize) * 2 as f64 * *b01.offset(2 as isize); + *g.offset(55 as isize) = *g.offset(51 as isize) * (ykyl + *cpy.offset(3 as isize)) + + *cpy.offset(3 as isize) * 2 as f64 * *b01.offset(3 as isize); + *g.offset(44 as isize) = + *cpy.offset(0 as isize) * (ykyl + *cpy.offset(0 as isize)) + *b01.offset(0 as isize); + *g.offset(45 as isize) = + *cpy.offset(1 as isize) * (ykyl + *cpy.offset(1 as isize)) + *b01.offset(1 as isize); + *g.offset(46 as isize) = + *cpy.offset(2 as isize) * (ykyl + *cpy.offset(2 as isize)) + *b01.offset(2 as isize); + *g.offset(47 as isize) = + *cpy.offset(3 as isize) * (ykyl + *cpy.offset(3 as isize)) + *b01.offset(3 as isize); + *g.offset(36 as isize) = ykyl + *cpy.offset(0 as isize); + *g.offset(37 as isize) = ykyl + *cpy.offset(1 as isize); + *g.offset(38 as isize) = ykyl + *cpy.offset(2 as isize); + *g.offset(39 as isize) = ykyl + *cpy.offset(3 as isize); + *g.offset(72 as isize) = *cpz.offset(0 as isize) * *g.offset(64 as isize); + *g.offset(73 as isize) = *cpz.offset(1 as isize) * *g.offset(65 as isize); + *g.offset(74 as isize) = *cpz.offset(2 as isize) * *g.offset(66 as isize); + *g.offset(75 as isize) = *cpz.offset(3 as isize) * *g.offset(67 as isize); + *g.offset(80 as isize) = *cpz.offset(0 as isize) * *g.offset(72 as isize) + *b01.offset(0 as isize) * *g.offset(64 as isize); - *g - .offset( - 81 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(73 as isize) + *g.offset(81 as isize) = *cpz.offset(1 as isize) * *g.offset(73 as isize) + *b01.offset(1 as isize) * *g.offset(65 as isize); - *g - .offset( - 82 as isize, - ) = *cpz.offset(2 as isize) - * *g.offset(74 as isize) + *g.offset(82 as isize) = *cpz.offset(2 as isize) * *g.offset(74 as isize) + *b01.offset(2 as isize) * *g.offset(66 as isize); - *g - .offset( - 83 as isize, - ) = *cpz.offset(3 as isize) - * *g.offset(75 as isize) + *g.offset(83 as isize) = *cpz.offset(3 as isize) * *g.offset(75 as isize) + *b01.offset(3 as isize) * *g.offset(67 as isize); - *g - .offset( - 84 as isize, - ) = *g.offset(80 as isize) - * (zkzl + *cpz.offset(0 as isize)) - + 2 as f64 * *b01.offset(0 as isize) - * *g.offset(72 as isize); - *g - .offset( - 85 as isize, - ) = *g.offset(81 as isize) - * (zkzl + *cpz.offset(1 as isize)) - + 2 as f64 * *b01.offset(1 as isize) - * *g.offset(73 as isize); - *g - .offset( - 86 as isize, - ) = *g.offset(82 as isize) - * (zkzl + *cpz.offset(2 as isize)) - + 2 as f64 * *b01.offset(2 as isize) - * *g.offset(74 as isize); - *g - .offset( - 87 as isize, - ) = *g.offset(83 as isize) - * (zkzl + *cpz.offset(3 as isize)) - + 2 as f64 * *b01.offset(3 as isize) - * *g.offset(75 as isize); - *g - .offset( - 76 as isize, - ) = *g.offset(72 as isize) - * (zkzl + *cpz.offset(0 as isize)) + *g.offset(84 as isize) = *g.offset(80 as isize) * (zkzl + *cpz.offset(0 as isize)) + + 2 as f64 * *b01.offset(0 as isize) * *g.offset(72 as isize); + *g.offset(85 as isize) = *g.offset(81 as isize) * (zkzl + *cpz.offset(1 as isize)) + + 2 as f64 * *b01.offset(1 as isize) * *g.offset(73 as isize); + *g.offset(86 as isize) = *g.offset(82 as isize) * (zkzl + *cpz.offset(2 as isize)) + + 2 as f64 * *b01.offset(2 as isize) * *g.offset(74 as isize); + *g.offset(87 as isize) = *g.offset(83 as isize) * (zkzl + *cpz.offset(3 as isize)) + + 2 as f64 * *b01.offset(3 as isize) * *g.offset(75 as isize); + *g.offset(76 as isize) = *g.offset(72 as isize) * (zkzl + *cpz.offset(0 as isize)) + *b01.offset(0 as isize) * *g.offset(64 as isize); - *g - .offset( - 77 as isize, - ) = *g.offset(73 as isize) - * (zkzl + *cpz.offset(1 as isize)) + *g.offset(77 as isize) = *g.offset(73 as isize) * (zkzl + *cpz.offset(1 as isize)) + *b01.offset(1 as isize) * *g.offset(65 as isize); - *g - .offset( - 78 as isize, - ) = *g.offset(74 as isize) - * (zkzl + *cpz.offset(2 as isize)) + *g.offset(78 as isize) = *g.offset(74 as isize) * (zkzl + *cpz.offset(2 as isize)) + *b01.offset(2 as isize) * *g.offset(66 as isize); - *g - .offset( - 79 as isize, - ) = *g.offset(75 as isize) - * (zkzl + *cpz.offset(3 as isize)) + *g.offset(79 as isize) = *g.offset(75 as isize) * (zkzl + *cpz.offset(3 as isize)) + *b01.offset(3 as isize) * *g.offset(67 as isize); - *g - .offset( - 68 as isize, - ) = *g.offset(64 as isize) - * (zkzl + *cpz.offset(0 as isize)); - *g - .offset( - 69 as isize, - ) = *g.offset(65 as isize) - * (zkzl + *cpz.offset(1 as isize)); - *g - .offset( - 70 as isize, - ) = *g.offset(66 as isize) - * (zkzl + *cpz.offset(2 as isize)); - *g - .offset( - 71 as isize, - ) = *g.offset(67 as isize) - * (zkzl + *cpz.offset(3 as isize)); + *g.offset(68 as isize) = *g.offset(64 as isize) * (zkzl + *cpz.offset(0 as isize)); + *g.offset(69 as isize) = *g.offset(65 as isize) * (zkzl + *cpz.offset(1 as isize)); + *g.offset(70 as isize) = *g.offset(66 as isize) * (zkzl + *cpz.offset(2 as isize)); + *g.offset(71 as isize) = *g.offset(67 as isize) * (zkzl + *cpz.offset(3 as isize)); } #[inline] unsafe extern "C" fn _srg0_2d4d_0020( @@ -6416,30 +3271,14 @@ unsafe extern "C" fn _srg0_2d4d_0020( *g.offset(5 as isize) = *cpx.offset(1 as isize); *g.offset(6 as isize) = *cpx.offset(2 as isize); *g.offset(7 as isize) = *cpx.offset(3 as isize); - *g - .offset( - 8 as isize, - ) = *cpx.offset(0 as isize) - * *cpx.offset(0 as isize) - + *b01.offset(0 as isize); - *g - .offset( - 9 as isize, - ) = *cpx.offset(1 as isize) - * *cpx.offset(1 as isize) - + *b01.offset(1 as isize); - *g - .offset( - 10 as isize, - ) = *cpx.offset(2 as isize) - * *cpx.offset(2 as isize) - + *b01.offset(2 as isize); - *g - .offset( - 11 as isize, - ) = *cpx.offset(3 as isize) - * *cpx.offset(3 as isize) - + *b01.offset(3 as isize); + *g.offset(8 as isize) = + *cpx.offset(0 as isize) * *cpx.offset(0 as isize) + *b01.offset(0 as isize); + *g.offset(9 as isize) = + *cpx.offset(1 as isize) * *cpx.offset(1 as isize) + *b01.offset(1 as isize); + *g.offset(10 as isize) = + *cpx.offset(2 as isize) * *cpx.offset(2 as isize) + *b01.offset(2 as isize); + *g.offset(11 as isize) = + *cpx.offset(3 as isize) * *cpx.offset(3 as isize) + *b01.offset(3 as isize); *g.offset(12 as isize) = 1 as f64; *g.offset(13 as isize) = 1 as f64; *g.offset(14 as isize) = 1 as f64; @@ -6448,73 +3287,25 @@ unsafe extern "C" fn _srg0_2d4d_0020( *g.offset(17 as isize) = *cpy.offset(1 as isize); *g.offset(18 as isize) = *cpy.offset(2 as isize); *g.offset(19 as isize) = *cpy.offset(3 as isize); - *g - .offset( - 20 as isize, - ) = *cpy.offset(0 as isize) - * *cpy.offset(0 as isize) - + *b01.offset(0 as isize); - *g - .offset( - 21 as isize, - ) = *cpy.offset(1 as isize) - * *cpy.offset(1 as isize) - + *b01.offset(1 as isize); - *g - .offset( - 22 as isize, - ) = *cpy.offset(2 as isize) - * *cpy.offset(2 as isize) - + *b01.offset(2 as isize); - *g - .offset( - 23 as isize, - ) = *cpy.offset(3 as isize) - * *cpy.offset(3 as isize) - + *b01.offset(3 as isize); - *g - .offset( - 28 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(24 as isize); - *g - .offset( - 29 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(25 as isize); - *g - .offset( - 30 as isize, - ) = *cpz.offset(2 as isize) - * *g.offset(26 as isize); - *g - .offset( - 31 as isize, - ) = *cpz.offset(3 as isize) - * *g.offset(27 as isize); - *g - .offset( - 32 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(28 as isize) + *g.offset(20 as isize) = + *cpy.offset(0 as isize) * *cpy.offset(0 as isize) + *b01.offset(0 as isize); + *g.offset(21 as isize) = + *cpy.offset(1 as isize) * *cpy.offset(1 as isize) + *b01.offset(1 as isize); + *g.offset(22 as isize) = + *cpy.offset(2 as isize) * *cpy.offset(2 as isize) + *b01.offset(2 as isize); + *g.offset(23 as isize) = + *cpy.offset(3 as isize) * *cpy.offset(3 as isize) + *b01.offset(3 as isize); + *g.offset(28 as isize) = *cpz.offset(0 as isize) * *g.offset(24 as isize); + *g.offset(29 as isize) = *cpz.offset(1 as isize) * *g.offset(25 as isize); + *g.offset(30 as isize) = *cpz.offset(2 as isize) * *g.offset(26 as isize); + *g.offset(31 as isize) = *cpz.offset(3 as isize) * *g.offset(27 as isize); + *g.offset(32 as isize) = *cpz.offset(0 as isize) * *g.offset(28 as isize) + *b01.offset(0 as isize) * *g.offset(24 as isize); - *g - .offset( - 33 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(29 as isize) + *g.offset(33 as isize) = *cpz.offset(1 as isize) * *g.offset(29 as isize) + *b01.offset(1 as isize) * *g.offset(25 as isize); - *g - .offset( - 34 as isize, - ) = *cpz.offset(2 as isize) - * *g.offset(30 as isize) + *g.offset(34 as isize) = *cpz.offset(2 as isize) * *g.offset(30 as isize) + *b01.offset(2 as isize) * *g.offset(26 as isize); - *g - .offset( - 35 as isize, - ) = *cpz.offset(3 as isize) - * *g.offset(31 as isize) + *g.offset(35 as isize) = *cpz.offset(3 as isize) * *g.offset(31 as isize) + *b01.offset(3 as isize) * *g.offset(27 as isize); } #[inline] @@ -6538,98 +3329,34 @@ unsafe extern "C" fn _srg0_2d4d_0021( *g.offset(5 as isize) = *cpx.offset(1 as isize); *g.offset(6 as isize) = *cpx.offset(2 as isize); *g.offset(7 as isize) = *cpx.offset(3 as isize); - *g - .offset( - 8 as isize, - ) = *cpx.offset(0 as isize) - * *cpx.offset(0 as isize) - + *b01.offset(0 as isize); - *g - .offset( - 9 as isize, - ) = *cpx.offset(1 as isize) - * *cpx.offset(1 as isize) - + *b01.offset(1 as isize); - *g - .offset( - 10 as isize, - ) = *cpx.offset(2 as isize) - * *cpx.offset(2 as isize) - + *b01.offset(2 as isize); - *g - .offset( - 11 as isize, - ) = *cpx.offset(3 as isize) - * *cpx.offset(3 as isize) - + *b01.offset(3 as isize); - *g - .offset( - 16 as isize, - ) = xkxl + *cpx.offset(0 as isize); - *g - .offset( - 17 as isize, - ) = xkxl + *cpx.offset(1 as isize); - *g - .offset( - 18 as isize, - ) = xkxl + *cpx.offset(2 as isize); - *g - .offset( - 19 as isize, - ) = xkxl + *cpx.offset(3 as isize); - *g - .offset( - 20 as isize, - ) = *cpx.offset(0 as isize) - * (xkxl + *cpx.offset(0 as isize)) - + *b01.offset(0 as isize); - *g - .offset( - 21 as isize, - ) = *cpx.offset(1 as isize) - * (xkxl + *cpx.offset(1 as isize)) - + *b01.offset(1 as isize); - *g - .offset( - 22 as isize, - ) = *cpx.offset(2 as isize) - * (xkxl + *cpx.offset(2 as isize)) - + *b01.offset(2 as isize); - *g - .offset( - 23 as isize, - ) = *cpx.offset(3 as isize) - * (xkxl + *cpx.offset(3 as isize)) - + *b01.offset(3 as isize); - *g - .offset( - 24 as isize, - ) = *g.offset(8 as isize) - * (xkxl + *cpx.offset(0 as isize)) - + *cpx.offset(0 as isize) * 2 as f64 - * *b01.offset(0 as isize); - *g - .offset( - 25 as isize, - ) = *g.offset(9 as isize) - * (xkxl + *cpx.offset(1 as isize)) - + *cpx.offset(1 as isize) * 2 as f64 - * *b01.offset(1 as isize); - *g - .offset( - 26 as isize, - ) = *g.offset(10 as isize) - * (xkxl + *cpx.offset(2 as isize)) - + *cpx.offset(2 as isize) * 2 as f64 - * *b01.offset(2 as isize); - *g - .offset( - 27 as isize, - ) = *g.offset(11 as isize) - * (xkxl + *cpx.offset(3 as isize)) - + *cpx.offset(3 as isize) * 2 as f64 - * *b01.offset(3 as isize); + *g.offset(8 as isize) = + *cpx.offset(0 as isize) * *cpx.offset(0 as isize) + *b01.offset(0 as isize); + *g.offset(9 as isize) = + *cpx.offset(1 as isize) * *cpx.offset(1 as isize) + *b01.offset(1 as isize); + *g.offset(10 as isize) = + *cpx.offset(2 as isize) * *cpx.offset(2 as isize) + *b01.offset(2 as isize); + *g.offset(11 as isize) = + *cpx.offset(3 as isize) * *cpx.offset(3 as isize) + *b01.offset(3 as isize); + *g.offset(16 as isize) = xkxl + *cpx.offset(0 as isize); + *g.offset(17 as isize) = xkxl + *cpx.offset(1 as isize); + *g.offset(18 as isize) = xkxl + *cpx.offset(2 as isize); + *g.offset(19 as isize) = xkxl + *cpx.offset(3 as isize); + *g.offset(20 as isize) = + *cpx.offset(0 as isize) * (xkxl + *cpx.offset(0 as isize)) + *b01.offset(0 as isize); + *g.offset(21 as isize) = + *cpx.offset(1 as isize) * (xkxl + *cpx.offset(1 as isize)) + *b01.offset(1 as isize); + *g.offset(22 as isize) = + *cpx.offset(2 as isize) * (xkxl + *cpx.offset(2 as isize)) + *b01.offset(2 as isize); + *g.offset(23 as isize) = + *cpx.offset(3 as isize) * (xkxl + *cpx.offset(3 as isize)) + *b01.offset(3 as isize); + *g.offset(24 as isize) = *g.offset(8 as isize) * (xkxl + *cpx.offset(0 as isize)) + + *cpx.offset(0 as isize) * 2 as f64 * *b01.offset(0 as isize); + *g.offset(25 as isize) = *g.offset(9 as isize) * (xkxl + *cpx.offset(1 as isize)) + + *cpx.offset(1 as isize) * 2 as f64 * *b01.offset(1 as isize); + *g.offset(26 as isize) = *g.offset(10 as isize) * (xkxl + *cpx.offset(2 as isize)) + + *cpx.offset(2 as isize) * 2 as f64 * *b01.offset(2 as isize); + *g.offset(27 as isize) = *g.offset(11 as isize) * (xkxl + *cpx.offset(3 as isize)) + + *cpx.offset(3 as isize) * 2 as f64 * *b01.offset(3 as isize); *g.offset(32 as isize) = 1 as f64; *g.offset(33 as isize) = 1 as f64; *g.offset(34 as isize) = 1 as f64; @@ -6638,214 +3365,66 @@ unsafe extern "C" fn _srg0_2d4d_0021( *g.offset(37 as isize) = *cpy.offset(1 as isize); *g.offset(38 as isize) = *cpy.offset(2 as isize); *g.offset(39 as isize) = *cpy.offset(3 as isize); - *g - .offset( - 40 as isize, - ) = *cpy.offset(0 as isize) - * *cpy.offset(0 as isize) - + *b01.offset(0 as isize); - *g - .offset( - 41 as isize, - ) = *cpy.offset(1 as isize) - * *cpy.offset(1 as isize) - + *b01.offset(1 as isize); - *g - .offset( - 42 as isize, - ) = *cpy.offset(2 as isize) - * *cpy.offset(2 as isize) - + *b01.offset(2 as isize); - *g - .offset( - 43 as isize, - ) = *cpy.offset(3 as isize) - * *cpy.offset(3 as isize) - + *b01.offset(3 as isize); - *g - .offset( - 48 as isize, - ) = ykyl + *cpy.offset(0 as isize); - *g - .offset( - 49 as isize, - ) = ykyl + *cpy.offset(1 as isize); - *g - .offset( - 50 as isize, - ) = ykyl + *cpy.offset(2 as isize); - *g - .offset( - 51 as isize, - ) = ykyl + *cpy.offset(3 as isize); - *g - .offset( - 52 as isize, - ) = *cpy.offset(0 as isize) - * (ykyl + *cpy.offset(0 as isize)) - + *b01.offset(0 as isize); - *g - .offset( - 53 as isize, - ) = *cpy.offset(1 as isize) - * (ykyl + *cpy.offset(1 as isize)) - + *b01.offset(1 as isize); - *g - .offset( - 54 as isize, - ) = *cpy.offset(2 as isize) - * (ykyl + *cpy.offset(2 as isize)) - + *b01.offset(2 as isize); - *g - .offset( - 55 as isize, - ) = *cpy.offset(3 as isize) - * (ykyl + *cpy.offset(3 as isize)) - + *b01.offset(3 as isize); - *g - .offset( - 56 as isize, - ) = *g.offset(40 as isize) - * (ykyl + *cpy.offset(0 as isize)) - + *cpy.offset(0 as isize) * 2 as f64 - * *b01.offset(0 as isize); - *g - .offset( - 57 as isize, - ) = *g.offset(41 as isize) - * (ykyl + *cpy.offset(1 as isize)) - + *cpy.offset(1 as isize) * 2 as f64 - * *b01.offset(1 as isize); - *g - .offset( - 58 as isize, - ) = *g.offset(42 as isize) - * (ykyl + *cpy.offset(2 as isize)) - + *cpy.offset(2 as isize) * 2 as f64 - * *b01.offset(2 as isize); - *g - .offset( - 59 as isize, - ) = *g.offset(43 as isize) - * (ykyl + *cpy.offset(3 as isize)) - + *cpy.offset(3 as isize) * 2 as f64 - * *b01.offset(3 as isize); - *g - .offset( - 68 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(64 as isize); - *g - .offset( - 69 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(65 as isize); - *g - .offset( - 70 as isize, - ) = *cpz.offset(2 as isize) - * *g.offset(66 as isize); - *g - .offset( - 71 as isize, - ) = *cpz.offset(3 as isize) - * *g.offset(67 as isize); - *g - .offset( - 72 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(68 as isize) + *g.offset(40 as isize) = + *cpy.offset(0 as isize) * *cpy.offset(0 as isize) + *b01.offset(0 as isize); + *g.offset(41 as isize) = + *cpy.offset(1 as isize) * *cpy.offset(1 as isize) + *b01.offset(1 as isize); + *g.offset(42 as isize) = + *cpy.offset(2 as isize) * *cpy.offset(2 as isize) + *b01.offset(2 as isize); + *g.offset(43 as isize) = + *cpy.offset(3 as isize) * *cpy.offset(3 as isize) + *b01.offset(3 as isize); + *g.offset(48 as isize) = ykyl + *cpy.offset(0 as isize); + *g.offset(49 as isize) = ykyl + *cpy.offset(1 as isize); + *g.offset(50 as isize) = ykyl + *cpy.offset(2 as isize); + *g.offset(51 as isize) = ykyl + *cpy.offset(3 as isize); + *g.offset(52 as isize) = + *cpy.offset(0 as isize) * (ykyl + *cpy.offset(0 as isize)) + *b01.offset(0 as isize); + *g.offset(53 as isize) = + *cpy.offset(1 as isize) * (ykyl + *cpy.offset(1 as isize)) + *b01.offset(1 as isize); + *g.offset(54 as isize) = + *cpy.offset(2 as isize) * (ykyl + *cpy.offset(2 as isize)) + *b01.offset(2 as isize); + *g.offset(55 as isize) = + *cpy.offset(3 as isize) * (ykyl + *cpy.offset(3 as isize)) + *b01.offset(3 as isize); + *g.offset(56 as isize) = *g.offset(40 as isize) * (ykyl + *cpy.offset(0 as isize)) + + *cpy.offset(0 as isize) * 2 as f64 * *b01.offset(0 as isize); + *g.offset(57 as isize) = *g.offset(41 as isize) * (ykyl + *cpy.offset(1 as isize)) + + *cpy.offset(1 as isize) * 2 as f64 * *b01.offset(1 as isize); + *g.offset(58 as isize) = *g.offset(42 as isize) * (ykyl + *cpy.offset(2 as isize)) + + *cpy.offset(2 as isize) * 2 as f64 * *b01.offset(2 as isize); + *g.offset(59 as isize) = *g.offset(43 as isize) * (ykyl + *cpy.offset(3 as isize)) + + *cpy.offset(3 as isize) * 2 as f64 * *b01.offset(3 as isize); + *g.offset(68 as isize) = *cpz.offset(0 as isize) * *g.offset(64 as isize); + *g.offset(69 as isize) = *cpz.offset(1 as isize) * *g.offset(65 as isize); + *g.offset(70 as isize) = *cpz.offset(2 as isize) * *g.offset(66 as isize); + *g.offset(71 as isize) = *cpz.offset(3 as isize) * *g.offset(67 as isize); + *g.offset(72 as isize) = *cpz.offset(0 as isize) * *g.offset(68 as isize) + *b01.offset(0 as isize) * *g.offset(64 as isize); - *g - .offset( - 73 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(69 as isize) + *g.offset(73 as isize) = *cpz.offset(1 as isize) * *g.offset(69 as isize) + *b01.offset(1 as isize) * *g.offset(65 as isize); - *g - .offset( - 74 as isize, - ) = *cpz.offset(2 as isize) - * *g.offset(70 as isize) + *g.offset(74 as isize) = *cpz.offset(2 as isize) * *g.offset(70 as isize) + *b01.offset(2 as isize) * *g.offset(66 as isize); - *g - .offset( - 75 as isize, - ) = *cpz.offset(3 as isize) - * *g.offset(71 as isize) + *g.offset(75 as isize) = *cpz.offset(3 as isize) * *g.offset(71 as isize) + *b01.offset(3 as isize) * *g.offset(67 as isize); - *g - .offset( - 80 as isize, - ) = *g.offset(64 as isize) - * (zkzl + *cpz.offset(0 as isize)); - *g - .offset( - 81 as isize, - ) = *g.offset(65 as isize) - * (zkzl + *cpz.offset(1 as isize)); - *g - .offset( - 82 as isize, - ) = *g.offset(66 as isize) - * (zkzl + *cpz.offset(2 as isize)); - *g - .offset( - 83 as isize, - ) = *g.offset(67 as isize) - * (zkzl + *cpz.offset(3 as isize)); - *g - .offset( - 84 as isize, - ) = *g.offset(68 as isize) - * (zkzl + *cpz.offset(0 as isize)) + *g.offset(80 as isize) = *g.offset(64 as isize) * (zkzl + *cpz.offset(0 as isize)); + *g.offset(81 as isize) = *g.offset(65 as isize) * (zkzl + *cpz.offset(1 as isize)); + *g.offset(82 as isize) = *g.offset(66 as isize) * (zkzl + *cpz.offset(2 as isize)); + *g.offset(83 as isize) = *g.offset(67 as isize) * (zkzl + *cpz.offset(3 as isize)); + *g.offset(84 as isize) = *g.offset(68 as isize) * (zkzl + *cpz.offset(0 as isize)) + *b01.offset(0 as isize) * *g.offset(64 as isize); - *g - .offset( - 85 as isize, - ) = *g.offset(69 as isize) - * (zkzl + *cpz.offset(1 as isize)) + *g.offset(85 as isize) = *g.offset(69 as isize) * (zkzl + *cpz.offset(1 as isize)) + *b01.offset(1 as isize) * *g.offset(65 as isize); - *g - .offset( - 86 as isize, - ) = *g.offset(70 as isize) - * (zkzl + *cpz.offset(2 as isize)) + *g.offset(86 as isize) = *g.offset(70 as isize) * (zkzl + *cpz.offset(2 as isize)) + *b01.offset(2 as isize) * *g.offset(66 as isize); - *g - .offset( - 87 as isize, - ) = *g.offset(71 as isize) - * (zkzl + *cpz.offset(3 as isize)) + *g.offset(87 as isize) = *g.offset(71 as isize) * (zkzl + *cpz.offset(3 as isize)) + *b01.offset(3 as isize) * *g.offset(67 as isize); - *g - .offset( - 88 as isize, - ) = *g.offset(72 as isize) - * (zkzl + *cpz.offset(0 as isize)) - + 2 as f64 * *b01.offset(0 as isize) - * *g.offset(68 as isize); - *g - .offset( - 89 as isize, - ) = *g.offset(73 as isize) - * (zkzl + *cpz.offset(1 as isize)) - + 2 as f64 * *b01.offset(1 as isize) - * *g.offset(69 as isize); - *g - .offset( - 90 as isize, - ) = *g.offset(74 as isize) - * (zkzl + *cpz.offset(2 as isize)) - + 2 as f64 * *b01.offset(2 as isize) - * *g.offset(70 as isize); - *g - .offset( - 91 as isize, - ) = *g.offset(75 as isize) - * (zkzl + *cpz.offset(3 as isize)) - + 2 as f64 * *b01.offset(3 as isize) - * *g.offset(71 as isize); + *g.offset(88 as isize) = *g.offset(72 as isize) * (zkzl + *cpz.offset(0 as isize)) + + 2 as f64 * *b01.offset(0 as isize) * *g.offset(68 as isize); + *g.offset(89 as isize) = *g.offset(73 as isize) * (zkzl + *cpz.offset(1 as isize)) + + 2 as f64 * *b01.offset(1 as isize) * *g.offset(69 as isize); + *g.offset(90 as isize) = *g.offset(74 as isize) * (zkzl + *cpz.offset(2 as isize)) + + 2 as f64 * *b01.offset(2 as isize) * *g.offset(70 as isize); + *g.offset(91 as isize) = *g.offset(75 as isize) * (zkzl + *cpz.offset(3 as isize)) + + 2 as f64 * *b01.offset(3 as isize) * *g.offset(71 as isize); } #[inline] unsafe extern "C" fn _srg0_2d4d_0030( @@ -6865,58 +3444,22 @@ unsafe extern "C" fn _srg0_2d4d_0030( *g.offset(5 as isize) = *cpx.offset(1 as isize); *g.offset(6 as isize) = *cpx.offset(2 as isize); *g.offset(7 as isize) = *cpx.offset(3 as isize); - *g - .offset( - 8 as isize, - ) = *cpx.offset(0 as isize) - * *cpx.offset(0 as isize) - + *b01.offset(0 as isize); - *g - .offset( - 9 as isize, - ) = *cpx.offset(1 as isize) - * *cpx.offset(1 as isize) - + *b01.offset(1 as isize); - *g - .offset( - 10 as isize, - ) = *cpx.offset(2 as isize) - * *cpx.offset(2 as isize) - + *b01.offset(2 as isize); - *g - .offset( - 11 as isize, - ) = *cpx.offset(3 as isize) - * *cpx.offset(3 as isize) - + *b01.offset(3 as isize); - *g - .offset( - 12 as isize, - ) = *cpx.offset(0 as isize) - * (*g.offset(8 as isize) - + 2 as f64 - * *b01.offset(0 as isize)); - *g - .offset( - 13 as isize, - ) = *cpx.offset(1 as isize) - * (*g.offset(9 as isize) - + 2 as f64 - * *b01.offset(1 as isize)); - *g - .offset( - 14 as isize, - ) = *cpx.offset(2 as isize) - * (*g.offset(10 as isize) - + 2 as f64 - * *b01.offset(2 as isize)); - *g - .offset( - 15 as isize, - ) = *cpx.offset(3 as isize) - * (*g.offset(11 as isize) - + 2 as f64 - * *b01.offset(3 as isize)); + *g.offset(8 as isize) = + *cpx.offset(0 as isize) * *cpx.offset(0 as isize) + *b01.offset(0 as isize); + *g.offset(9 as isize) = + *cpx.offset(1 as isize) * *cpx.offset(1 as isize) + *b01.offset(1 as isize); + *g.offset(10 as isize) = + *cpx.offset(2 as isize) * *cpx.offset(2 as isize) + *b01.offset(2 as isize); + *g.offset(11 as isize) = + *cpx.offset(3 as isize) * *cpx.offset(3 as isize) + *b01.offset(3 as isize); + *g.offset(12 as isize) = + *cpx.offset(0 as isize) * (*g.offset(8 as isize) + 2 as f64 * *b01.offset(0 as isize)); + *g.offset(13 as isize) = + *cpx.offset(1 as isize) * (*g.offset(9 as isize) + 2 as f64 * *b01.offset(1 as isize)); + *g.offset(14 as isize) = + *cpx.offset(2 as isize) * (*g.offset(10 as isize) + 2 as f64 * *b01.offset(2 as isize)); + *g.offset(15 as isize) = + *cpx.offset(3 as isize) * (*g.offset(11 as isize) + 2 as f64 * *b01.offset(3 as isize)); *g.offset(16 as isize) = 1 as f64; *g.offset(17 as isize) = 1 as f64; *g.offset(18 as isize) = 1 as f64; @@ -6925,130 +3468,42 @@ unsafe extern "C" fn _srg0_2d4d_0030( *g.offset(21 as isize) = *cpy.offset(1 as isize); *g.offset(22 as isize) = *cpy.offset(2 as isize); *g.offset(23 as isize) = *cpy.offset(3 as isize); - *g - .offset( - 24 as isize, - ) = *cpy.offset(0 as isize) - * *cpy.offset(0 as isize) - + *b01.offset(0 as isize); - *g - .offset( - 25 as isize, - ) = *cpy.offset(1 as isize) - * *cpy.offset(1 as isize) - + *b01.offset(1 as isize); - *g - .offset( - 26 as isize, - ) = *cpy.offset(2 as isize) - * *cpy.offset(2 as isize) - + *b01.offset(2 as isize); - *g - .offset( - 27 as isize, - ) = *cpy.offset(3 as isize) - * *cpy.offset(3 as isize) - + *b01.offset(3 as isize); - *g - .offset( - 28 as isize, - ) = *cpy.offset(0 as isize) - * (*g.offset(24 as isize) - + 2 as f64 - * *b01.offset(0 as isize)); - *g - .offset( - 29 as isize, - ) = *cpy.offset(1 as isize) - * (*g.offset(25 as isize) - + 2 as f64 - * *b01.offset(1 as isize)); - *g - .offset( - 30 as isize, - ) = *cpy.offset(2 as isize) - * (*g.offset(26 as isize) - + 2 as f64 - * *b01.offset(2 as isize)); - *g - .offset( - 31 as isize, - ) = *cpy.offset(3 as isize) - * (*g.offset(27 as isize) - + 2 as f64 - * *b01.offset(3 as isize)); - *g - .offset( - 36 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(32 as isize); - *g - .offset( - 37 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(33 as isize); - *g - .offset( - 38 as isize, - ) = *cpz.offset(2 as isize) - * *g.offset(34 as isize); - *g - .offset( - 39 as isize, - ) = *cpz.offset(3 as isize) - * *g.offset(35 as isize); - *g - .offset( - 40 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(36 as isize) + *g.offset(24 as isize) = + *cpy.offset(0 as isize) * *cpy.offset(0 as isize) + *b01.offset(0 as isize); + *g.offset(25 as isize) = + *cpy.offset(1 as isize) * *cpy.offset(1 as isize) + *b01.offset(1 as isize); + *g.offset(26 as isize) = + *cpy.offset(2 as isize) * *cpy.offset(2 as isize) + *b01.offset(2 as isize); + *g.offset(27 as isize) = + *cpy.offset(3 as isize) * *cpy.offset(3 as isize) + *b01.offset(3 as isize); + *g.offset(28 as isize) = + *cpy.offset(0 as isize) * (*g.offset(24 as isize) + 2 as f64 * *b01.offset(0 as isize)); + *g.offset(29 as isize) = + *cpy.offset(1 as isize) * (*g.offset(25 as isize) + 2 as f64 * *b01.offset(1 as isize)); + *g.offset(30 as isize) = + *cpy.offset(2 as isize) * (*g.offset(26 as isize) + 2 as f64 * *b01.offset(2 as isize)); + *g.offset(31 as isize) = + *cpy.offset(3 as isize) * (*g.offset(27 as isize) + 2 as f64 * *b01.offset(3 as isize)); + *g.offset(36 as isize) = *cpz.offset(0 as isize) * *g.offset(32 as isize); + *g.offset(37 as isize) = *cpz.offset(1 as isize) * *g.offset(33 as isize); + *g.offset(38 as isize) = *cpz.offset(2 as isize) * *g.offset(34 as isize); + *g.offset(39 as isize) = *cpz.offset(3 as isize) * *g.offset(35 as isize); + *g.offset(40 as isize) = *cpz.offset(0 as isize) * *g.offset(36 as isize) + *b01.offset(0 as isize) * *g.offset(32 as isize); - *g - .offset( - 41 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(37 as isize) + *g.offset(41 as isize) = *cpz.offset(1 as isize) * *g.offset(37 as isize) + *b01.offset(1 as isize) * *g.offset(33 as isize); - *g - .offset( - 42 as isize, - ) = *cpz.offset(2 as isize) - * *g.offset(38 as isize) + *g.offset(42 as isize) = *cpz.offset(2 as isize) * *g.offset(38 as isize) + *b01.offset(2 as isize) * *g.offset(34 as isize); - *g - .offset( - 43 as isize, - ) = *cpz.offset(3 as isize) - * *g.offset(39 as isize) + *g.offset(43 as isize) = *cpz.offset(3 as isize) * *g.offset(39 as isize) + *b01.offset(3 as isize) * *g.offset(35 as isize); - *g - .offset( - 44 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(40 as isize) - + 2 as f64 * *b01.offset(0 as isize) - * *g.offset(36 as isize); - *g - .offset( - 45 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(41 as isize) - + 2 as f64 * *b01.offset(1 as isize) - * *g.offset(37 as isize); - *g - .offset( - 46 as isize, - ) = *cpz.offset(2 as isize) - * *g.offset(42 as isize) - + 2 as f64 * *b01.offset(2 as isize) - * *g.offset(38 as isize); - *g - .offset( - 47 as isize, - ) = *cpz.offset(3 as isize) - * *g.offset(43 as isize) - + 2 as f64 * *b01.offset(3 as isize) - * *g.offset(39 as isize); + *g.offset(44 as isize) = *cpz.offset(0 as isize) * *g.offset(40 as isize) + + 2 as f64 * *b01.offset(0 as isize) * *g.offset(36 as isize); + *g.offset(45 as isize) = *cpz.offset(1 as isize) * *g.offset(41 as isize) + + 2 as f64 * *b01.offset(1 as isize) * *g.offset(37 as isize); + *g.offset(46 as isize) = *cpz.offset(2 as isize) * *g.offset(42 as isize) + + 2 as f64 * *b01.offset(2 as isize) * *g.offset(38 as isize); + *g.offset(47 as isize) = *cpz.offset(3 as isize) * *g.offset(43 as isize) + + 2 as f64 * *b01.offset(3 as isize) * *g.offset(39 as isize); } #[inline] unsafe extern "C" fn _srg0_2d4d_0100( @@ -7067,16 +3522,8 @@ unsafe extern "C" fn _srg0_2d4d_0100( *g.offset(5 as isize) = 1 as f64; *g.offset(6 as isize) = *c0y.offset(0 as isize); *g.offset(7 as isize) = *c0y.offset(1 as isize); - *g - .offset( - 10 as isize, - ) = *c0z.offset(0 as isize) - * *g.offset(8 as isize); - *g - .offset( - 11 as isize, - ) = *c0z.offset(1 as isize) - * *g.offset(9 as isize); + *g.offset(10 as isize) = *c0z.offset(0 as isize) * *g.offset(8 as isize); + *g.offset(11 as isize) = *c0z.offset(1 as isize) * *g.offset(9 as isize); } #[inline] unsafe extern "C" fn _srg0_2d4d_0101( @@ -7103,30 +3550,14 @@ unsafe extern "C" fn _srg0_2d4d_0101( *g.offset(9 as isize) = *c0x.offset(1 as isize); *g.offset(10 as isize) = *c0x.offset(2 as isize); *g.offset(11 as isize) = *c0x.offset(3 as isize); - *g - .offset( - 12 as isize, - ) = *cpx.offset(0 as isize) - * *c0x.offset(0 as isize) - + *b00.offset(0 as isize); - *g - .offset( - 13 as isize, - ) = *cpx.offset(1 as isize) - * *c0x.offset(1 as isize) - + *b00.offset(1 as isize); - *g - .offset( - 14 as isize, - ) = *cpx.offset(2 as isize) - * *c0x.offset(2 as isize) - + *b00.offset(2 as isize); - *g - .offset( - 15 as isize, - ) = *cpx.offset(3 as isize) - * *c0x.offset(3 as isize) - + *b00.offset(3 as isize); + *g.offset(12 as isize) = + *cpx.offset(0 as isize) * *c0x.offset(0 as isize) + *b00.offset(0 as isize); + *g.offset(13 as isize) = + *cpx.offset(1 as isize) * *c0x.offset(1 as isize) + *b00.offset(1 as isize); + *g.offset(14 as isize) = + *cpx.offset(2 as isize) * *c0x.offset(2 as isize) + *b00.offset(2 as isize); + *g.offset(15 as isize) = + *cpx.offset(3 as isize) * *c0x.offset(3 as isize) + *b00.offset(3 as isize); *g.offset(16 as isize) = 1 as f64; *g.offset(17 as isize) = 1 as f64; *g.offset(18 as isize) = 1 as f64; @@ -7139,93 +3570,29 @@ unsafe extern "C" fn _srg0_2d4d_0101( *g.offset(25 as isize) = *c0y.offset(1 as isize); *g.offset(26 as isize) = *c0y.offset(2 as isize); *g.offset(27 as isize) = *c0y.offset(3 as isize); - *g - .offset( - 28 as isize, - ) = *cpy.offset(0 as isize) - * *c0y.offset(0 as isize) - + *b00.offset(0 as isize); - *g - .offset( - 29 as isize, - ) = *cpy.offset(1 as isize) - * *c0y.offset(1 as isize) - + *b00.offset(1 as isize); - *g - .offset( - 30 as isize, - ) = *cpy.offset(2 as isize) - * *c0y.offset(2 as isize) - + *b00.offset(2 as isize); - *g - .offset( - 31 as isize, - ) = *cpy.offset(3 as isize) - * *c0y.offset(3 as isize) - + *b00.offset(3 as isize); - *g - .offset( - 36 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(32 as isize); - *g - .offset( - 37 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(33 as isize); - *g - .offset( - 38 as isize, - ) = *cpz.offset(2 as isize) - * *g.offset(34 as isize); - *g - .offset( - 39 as isize, - ) = *cpz.offset(3 as isize) - * *g.offset(35 as isize); - *g - .offset( - 40 as isize, - ) = *c0z.offset(0 as isize) - * *g.offset(32 as isize); - *g - .offset( - 41 as isize, - ) = *c0z.offset(1 as isize) - * *g.offset(33 as isize); - *g - .offset( - 42 as isize, - ) = *c0z.offset(2 as isize) - * *g.offset(34 as isize); - *g - .offset( - 43 as isize, - ) = *c0z.offset(3 as isize) - * *g.offset(35 as isize); - *g - .offset( - 44 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(40 as isize) + *g.offset(28 as isize) = + *cpy.offset(0 as isize) * *c0y.offset(0 as isize) + *b00.offset(0 as isize); + *g.offset(29 as isize) = + *cpy.offset(1 as isize) * *c0y.offset(1 as isize) + *b00.offset(1 as isize); + *g.offset(30 as isize) = + *cpy.offset(2 as isize) * *c0y.offset(2 as isize) + *b00.offset(2 as isize); + *g.offset(31 as isize) = + *cpy.offset(3 as isize) * *c0y.offset(3 as isize) + *b00.offset(3 as isize); + *g.offset(36 as isize) = *cpz.offset(0 as isize) * *g.offset(32 as isize); + *g.offset(37 as isize) = *cpz.offset(1 as isize) * *g.offset(33 as isize); + *g.offset(38 as isize) = *cpz.offset(2 as isize) * *g.offset(34 as isize); + *g.offset(39 as isize) = *cpz.offset(3 as isize) * *g.offset(35 as isize); + *g.offset(40 as isize) = *c0z.offset(0 as isize) * *g.offset(32 as isize); + *g.offset(41 as isize) = *c0z.offset(1 as isize) * *g.offset(33 as isize); + *g.offset(42 as isize) = *c0z.offset(2 as isize) * *g.offset(34 as isize); + *g.offset(43 as isize) = *c0z.offset(3 as isize) * *g.offset(35 as isize); + *g.offset(44 as isize) = *cpz.offset(0 as isize) * *g.offset(40 as isize) + *b00.offset(0 as isize) * *g.offset(32 as isize); - *g - .offset( - 45 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(41 as isize) + *g.offset(45 as isize) = *cpz.offset(1 as isize) * *g.offset(41 as isize) + *b00.offset(1 as isize) * *g.offset(33 as isize); - *g - .offset( - 46 as isize, - ) = *cpz.offset(2 as isize) - * *g.offset(42 as isize) + *g.offset(46 as isize) = *cpz.offset(2 as isize) * *g.offset(42 as isize) + *b00.offset(2 as isize) * *g.offset(34 as isize); - *g - .offset( - 47 as isize, - ) = *cpz.offset(3 as isize) - * *g.offset(43 as isize) + *g.offset(47 as isize) = *cpz.offset(3 as isize) * *g.offset(43 as isize) + *b00.offset(3 as isize) * *g.offset(35 as isize); } #[inline] @@ -7254,86 +3621,34 @@ unsafe extern "C" fn _srg0_2d4d_0102( *g.offset(13 as isize) = *c0x.offset(1 as isize); *g.offset(14 as isize) = *c0x.offset(2 as isize); *g.offset(15 as isize) = *c0x.offset(3 as isize); - *g - .offset( - 8 as isize, - ) = *cpx.offset(0 as isize) - * *cpx.offset(0 as isize) - + *b01.offset(0 as isize); - *g - .offset( - 9 as isize, - ) = *cpx.offset(1 as isize) - * *cpx.offset(1 as isize) - + *b01.offset(1 as isize); - *g - .offset( - 10 as isize, - ) = *cpx.offset(2 as isize) - * *cpx.offset(2 as isize) - + *b01.offset(2 as isize); - *g - .offset( - 11 as isize, - ) = *cpx.offset(3 as isize) - * *cpx.offset(3 as isize) - + *b01.offset(3 as isize); - *g - .offset( - 16 as isize, - ) = *cpx.offset(0 as isize) - * *c0x.offset(0 as isize) - + *b00.offset(0 as isize); - *g - .offset( - 17 as isize, - ) = *cpx.offset(1 as isize) - * *c0x.offset(1 as isize) - + *b00.offset(1 as isize); - *g - .offset( - 18 as isize, - ) = *cpx.offset(2 as isize) - * *c0x.offset(2 as isize) - + *b00.offset(2 as isize); - *g - .offset( - 19 as isize, - ) = *cpx.offset(3 as isize) - * *c0x.offset(3 as isize) - + *b00.offset(3 as isize); - *g - .offset( - 20 as isize, - ) = *cpx.offset(0 as isize) - * (*g.offset(16 as isize) - + *b00.offset(0 as isize)) - + *b01.offset(0 as isize) - * *c0x.offset(0 as isize); - *g - .offset( - 21 as isize, - ) = *cpx.offset(1 as isize) - * (*g.offset(17 as isize) - + *b00.offset(1 as isize)) - + *b01.offset(1 as isize) - * *c0x.offset(1 as isize); - *g - .offset( - 22 as isize, - ) = *cpx.offset(2 as isize) - * (*g.offset(18 as isize) - + *b00.offset(2 as isize)) - + *b01.offset(2 as isize) - * *c0x.offset(2 as isize); - *g - .offset( - 23 as isize, - ) = *cpx.offset(3 as isize) - * (*g.offset(19 as isize) - + *b00.offset(3 as isize)) - + *b01.offset(3 as isize) - * *c0x.offset(3 as isize); + *g.offset(8 as isize) = + *cpx.offset(0 as isize) * *cpx.offset(0 as isize) + *b01.offset(0 as isize); + *g.offset(9 as isize) = + *cpx.offset(1 as isize) * *cpx.offset(1 as isize) + *b01.offset(1 as isize); + *g.offset(10 as isize) = + *cpx.offset(2 as isize) * *cpx.offset(2 as isize) + *b01.offset(2 as isize); + *g.offset(11 as isize) = + *cpx.offset(3 as isize) * *cpx.offset(3 as isize) + *b01.offset(3 as isize); + *g.offset(16 as isize) = + *cpx.offset(0 as isize) * *c0x.offset(0 as isize) + *b00.offset(0 as isize); + *g.offset(17 as isize) = + *cpx.offset(1 as isize) * *c0x.offset(1 as isize) + *b00.offset(1 as isize); + *g.offset(18 as isize) = + *cpx.offset(2 as isize) * *c0x.offset(2 as isize) + *b00.offset(2 as isize); + *g.offset(19 as isize) = + *cpx.offset(3 as isize) * *c0x.offset(3 as isize) + *b00.offset(3 as isize); + *g.offset(20 as isize) = *cpx.offset(0 as isize) + * (*g.offset(16 as isize) + *b00.offset(0 as isize)) + + *b01.offset(0 as isize) * *c0x.offset(0 as isize); + *g.offset(21 as isize) = *cpx.offset(1 as isize) + * (*g.offset(17 as isize) + *b00.offset(1 as isize)) + + *b01.offset(1 as isize) * *c0x.offset(1 as isize); + *g.offset(22 as isize) = *cpx.offset(2 as isize) + * (*g.offset(18 as isize) + *b00.offset(2 as isize)) + + *b01.offset(2 as isize) * *c0x.offset(2 as isize); + *g.offset(23 as isize) = *cpx.offset(3 as isize) + * (*g.offset(19 as isize) + *b00.offset(3 as isize)) + + *b01.offset(3 as isize) * *c0x.offset(3 as isize); *g.offset(24 as isize) = 1 as f64; *g.offset(25 as isize) = 1 as f64; *g.offset(26 as isize) = 1 as f64; @@ -7346,200 +3661,68 @@ unsafe extern "C" fn _srg0_2d4d_0102( *g.offset(37 as isize) = *c0y.offset(1 as isize); *g.offset(38 as isize) = *c0y.offset(2 as isize); *g.offset(39 as isize) = *c0y.offset(3 as isize); - *g - .offset( - 32 as isize, - ) = *cpy.offset(0 as isize) - * *cpy.offset(0 as isize) - + *b01.offset(0 as isize); - *g - .offset( - 33 as isize, - ) = *cpy.offset(1 as isize) - * *cpy.offset(1 as isize) - + *b01.offset(1 as isize); - *g - .offset( - 34 as isize, - ) = *cpy.offset(2 as isize) - * *cpy.offset(2 as isize) - + *b01.offset(2 as isize); - *g - .offset( - 35 as isize, - ) = *cpy.offset(3 as isize) - * *cpy.offset(3 as isize) - + *b01.offset(3 as isize); - *g - .offset( - 40 as isize, - ) = *cpy.offset(0 as isize) - * *c0y.offset(0 as isize) - + *b00.offset(0 as isize); - *g - .offset( - 41 as isize, - ) = *cpy.offset(1 as isize) - * *c0y.offset(1 as isize) - + *b00.offset(1 as isize); - *g - .offset( - 42 as isize, - ) = *cpy.offset(2 as isize) - * *c0y.offset(2 as isize) - + *b00.offset(2 as isize); - *g - .offset( - 43 as isize, - ) = *cpy.offset(3 as isize) - * *c0y.offset(3 as isize) - + *b00.offset(3 as isize); - *g - .offset( - 44 as isize, - ) = *cpy.offset(0 as isize) - * (*g.offset(40 as isize) - + *b00.offset(0 as isize)) - + *b01.offset(0 as isize) - * *c0y.offset(0 as isize); - *g - .offset( - 45 as isize, - ) = *cpy.offset(1 as isize) - * (*g.offset(41 as isize) - + *b00.offset(1 as isize)) - + *b01.offset(1 as isize) - * *c0y.offset(1 as isize); - *g - .offset( - 46 as isize, - ) = *cpy.offset(2 as isize) - * (*g.offset(42 as isize) - + *b00.offset(2 as isize)) - + *b01.offset(2 as isize) - * *c0y.offset(2 as isize); - *g - .offset( - 47 as isize, - ) = *cpy.offset(3 as isize) - * (*g.offset(43 as isize) - + *b00.offset(3 as isize)) - + *b01.offset(3 as isize) - * *c0y.offset(3 as isize); - *g - .offset( - 52 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(48 as isize); - *g - .offset( - 53 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(49 as isize); - *g - .offset( - 54 as isize, - ) = *cpz.offset(2 as isize) - * *g.offset(50 as isize); - *g - .offset( - 55 as isize, - ) = *cpz.offset(3 as isize) - * *g.offset(51 as isize); - *g - .offset( - 60 as isize, - ) = *c0z.offset(0 as isize) - * *g.offset(48 as isize); - *g - .offset( - 61 as isize, - ) = *c0z.offset(1 as isize) - * *g.offset(49 as isize); - *g - .offset( - 62 as isize, - ) = *c0z.offset(2 as isize) - * *g.offset(50 as isize); - *g - .offset( - 63 as isize, - ) = *c0z.offset(3 as isize) - * *g.offset(51 as isize); - *g - .offset( - 56 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(52 as isize) + *g.offset(32 as isize) = + *cpy.offset(0 as isize) * *cpy.offset(0 as isize) + *b01.offset(0 as isize); + *g.offset(33 as isize) = + *cpy.offset(1 as isize) * *cpy.offset(1 as isize) + *b01.offset(1 as isize); + *g.offset(34 as isize) = + *cpy.offset(2 as isize) * *cpy.offset(2 as isize) + *b01.offset(2 as isize); + *g.offset(35 as isize) = + *cpy.offset(3 as isize) * *cpy.offset(3 as isize) + *b01.offset(3 as isize); + *g.offset(40 as isize) = + *cpy.offset(0 as isize) * *c0y.offset(0 as isize) + *b00.offset(0 as isize); + *g.offset(41 as isize) = + *cpy.offset(1 as isize) * *c0y.offset(1 as isize) + *b00.offset(1 as isize); + *g.offset(42 as isize) = + *cpy.offset(2 as isize) * *c0y.offset(2 as isize) + *b00.offset(2 as isize); + *g.offset(43 as isize) = + *cpy.offset(3 as isize) * *c0y.offset(3 as isize) + *b00.offset(3 as isize); + *g.offset(44 as isize) = *cpy.offset(0 as isize) + * (*g.offset(40 as isize) + *b00.offset(0 as isize)) + + *b01.offset(0 as isize) * *c0y.offset(0 as isize); + *g.offset(45 as isize) = *cpy.offset(1 as isize) + * (*g.offset(41 as isize) + *b00.offset(1 as isize)) + + *b01.offset(1 as isize) * *c0y.offset(1 as isize); + *g.offset(46 as isize) = *cpy.offset(2 as isize) + * (*g.offset(42 as isize) + *b00.offset(2 as isize)) + + *b01.offset(2 as isize) * *c0y.offset(2 as isize); + *g.offset(47 as isize) = *cpy.offset(3 as isize) + * (*g.offset(43 as isize) + *b00.offset(3 as isize)) + + *b01.offset(3 as isize) * *c0y.offset(3 as isize); + *g.offset(52 as isize) = *cpz.offset(0 as isize) * *g.offset(48 as isize); + *g.offset(53 as isize) = *cpz.offset(1 as isize) * *g.offset(49 as isize); + *g.offset(54 as isize) = *cpz.offset(2 as isize) * *g.offset(50 as isize); + *g.offset(55 as isize) = *cpz.offset(3 as isize) * *g.offset(51 as isize); + *g.offset(60 as isize) = *c0z.offset(0 as isize) * *g.offset(48 as isize); + *g.offset(61 as isize) = *c0z.offset(1 as isize) * *g.offset(49 as isize); + *g.offset(62 as isize) = *c0z.offset(2 as isize) * *g.offset(50 as isize); + *g.offset(63 as isize) = *c0z.offset(3 as isize) * *g.offset(51 as isize); + *g.offset(56 as isize) = *cpz.offset(0 as isize) * *g.offset(52 as isize) + *b01.offset(0 as isize) * *g.offset(48 as isize); - *g - .offset( - 57 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(53 as isize) + *g.offset(57 as isize) = *cpz.offset(1 as isize) * *g.offset(53 as isize) + *b01.offset(1 as isize) * *g.offset(49 as isize); - *g - .offset( - 58 as isize, - ) = *cpz.offset(2 as isize) - * *g.offset(54 as isize) + *g.offset(58 as isize) = *cpz.offset(2 as isize) * *g.offset(54 as isize) + *b01.offset(2 as isize) * *g.offset(50 as isize); - *g - .offset( - 59 as isize, - ) = *cpz.offset(3 as isize) - * *g.offset(55 as isize) + *g.offset(59 as isize) = *cpz.offset(3 as isize) * *g.offset(55 as isize) + *b01.offset(3 as isize) * *g.offset(51 as isize); - *g - .offset( - 64 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(60 as isize) + *g.offset(64 as isize) = *cpz.offset(0 as isize) * *g.offset(60 as isize) + *b00.offset(0 as isize) * *g.offset(48 as isize); - *g - .offset( - 65 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(61 as isize) + *g.offset(65 as isize) = *cpz.offset(1 as isize) * *g.offset(61 as isize) + *b00.offset(1 as isize) * *g.offset(49 as isize); - *g - .offset( - 66 as isize, - ) = *cpz.offset(2 as isize) - * *g.offset(62 as isize) + *g.offset(66 as isize) = *cpz.offset(2 as isize) * *g.offset(62 as isize) + *b00.offset(2 as isize) * *g.offset(50 as isize); - *g - .offset( - 67 as isize, - ) = *cpz.offset(3 as isize) - * *g.offset(63 as isize) + *g.offset(67 as isize) = *cpz.offset(3 as isize) * *g.offset(63 as isize) + *b00.offset(3 as isize) * *g.offset(51 as isize); - *g - .offset( - 68 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(64 as isize) + *g.offset(68 as isize) = *cpz.offset(0 as isize) * *g.offset(64 as isize) + *b01.offset(0 as isize) * *g.offset(60 as isize) + *b00.offset(0 as isize) * *g.offset(52 as isize); - *g - .offset( - 69 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(65 as isize) + *g.offset(69 as isize) = *cpz.offset(1 as isize) * *g.offset(65 as isize) + *b01.offset(1 as isize) * *g.offset(61 as isize) + *b00.offset(1 as isize) * *g.offset(53 as isize); - *g - .offset( - 70 as isize, - ) = *cpz.offset(2 as isize) - * *g.offset(66 as isize) + *g.offset(70 as isize) = *cpz.offset(2 as isize) * *g.offset(66 as isize) + *b01.offset(2 as isize) * *g.offset(62 as isize) + *b00.offset(2 as isize) * *g.offset(54 as isize); - *g - .offset( - 71 as isize, - ) = *cpz.offset(3 as isize) - * *g.offset(67 as isize) + *g.offset(71 as isize) = *cpz.offset(3 as isize) * *g.offset(67 as isize) + *b01.offset(3 as isize) * *g.offset(63 as isize) + *b00.offset(3 as isize) * *g.offset(55 as isize); } @@ -7568,30 +3751,14 @@ unsafe extern "C" fn _srg0_2d4d_0110( *g.offset(9 as isize) = *c0x.offset(1 as isize); *g.offset(10 as isize) = *c0x.offset(2 as isize); *g.offset(11 as isize) = *c0x.offset(3 as isize); - *g - .offset( - 12 as isize, - ) = *cpx.offset(0 as isize) - * *c0x.offset(0 as isize) - + *b00.offset(0 as isize); - *g - .offset( - 13 as isize, - ) = *cpx.offset(1 as isize) - * *c0x.offset(1 as isize) - + *b00.offset(1 as isize); - *g - .offset( - 14 as isize, - ) = *cpx.offset(2 as isize) - * *c0x.offset(2 as isize) - + *b00.offset(2 as isize); - *g - .offset( - 15 as isize, - ) = *cpx.offset(3 as isize) - * *c0x.offset(3 as isize) - + *b00.offset(3 as isize); + *g.offset(12 as isize) = + *cpx.offset(0 as isize) * *c0x.offset(0 as isize) + *b00.offset(0 as isize); + *g.offset(13 as isize) = + *cpx.offset(1 as isize) * *c0x.offset(1 as isize) + *b00.offset(1 as isize); + *g.offset(14 as isize) = + *cpx.offset(2 as isize) * *c0x.offset(2 as isize) + *b00.offset(2 as isize); + *g.offset(15 as isize) = + *cpx.offset(3 as isize) * *c0x.offset(3 as isize) + *b00.offset(3 as isize); *g.offset(16 as isize) = 1 as f64; *g.offset(17 as isize) = 1 as f64; *g.offset(18 as isize) = 1 as f64; @@ -7604,93 +3771,29 @@ unsafe extern "C" fn _srg0_2d4d_0110( *g.offset(25 as isize) = *c0y.offset(1 as isize); *g.offset(26 as isize) = *c0y.offset(2 as isize); *g.offset(27 as isize) = *c0y.offset(3 as isize); - *g - .offset( - 28 as isize, - ) = *cpy.offset(0 as isize) - * *c0y.offset(0 as isize) - + *b00.offset(0 as isize); - *g - .offset( - 29 as isize, - ) = *cpy.offset(1 as isize) - * *c0y.offset(1 as isize) - + *b00.offset(1 as isize); - *g - .offset( - 30 as isize, - ) = *cpy.offset(2 as isize) - * *c0y.offset(2 as isize) - + *b00.offset(2 as isize); - *g - .offset( - 31 as isize, - ) = *cpy.offset(3 as isize) - * *c0y.offset(3 as isize) - + *b00.offset(3 as isize); - *g - .offset( - 36 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(32 as isize); - *g - .offset( - 37 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(33 as isize); - *g - .offset( - 38 as isize, - ) = *cpz.offset(2 as isize) - * *g.offset(34 as isize); - *g - .offset( - 39 as isize, - ) = *cpz.offset(3 as isize) - * *g.offset(35 as isize); - *g - .offset( - 40 as isize, - ) = *c0z.offset(0 as isize) - * *g.offset(32 as isize); - *g - .offset( - 41 as isize, - ) = *c0z.offset(1 as isize) - * *g.offset(33 as isize); - *g - .offset( - 42 as isize, - ) = *c0z.offset(2 as isize) - * *g.offset(34 as isize); - *g - .offset( - 43 as isize, - ) = *c0z.offset(3 as isize) - * *g.offset(35 as isize); - *g - .offset( - 44 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(40 as isize) + *g.offset(28 as isize) = + *cpy.offset(0 as isize) * *c0y.offset(0 as isize) + *b00.offset(0 as isize); + *g.offset(29 as isize) = + *cpy.offset(1 as isize) * *c0y.offset(1 as isize) + *b00.offset(1 as isize); + *g.offset(30 as isize) = + *cpy.offset(2 as isize) * *c0y.offset(2 as isize) + *b00.offset(2 as isize); + *g.offset(31 as isize) = + *cpy.offset(3 as isize) * *c0y.offset(3 as isize) + *b00.offset(3 as isize); + *g.offset(36 as isize) = *cpz.offset(0 as isize) * *g.offset(32 as isize); + *g.offset(37 as isize) = *cpz.offset(1 as isize) * *g.offset(33 as isize); + *g.offset(38 as isize) = *cpz.offset(2 as isize) * *g.offset(34 as isize); + *g.offset(39 as isize) = *cpz.offset(3 as isize) * *g.offset(35 as isize); + *g.offset(40 as isize) = *c0z.offset(0 as isize) * *g.offset(32 as isize); + *g.offset(41 as isize) = *c0z.offset(1 as isize) * *g.offset(33 as isize); + *g.offset(42 as isize) = *c0z.offset(2 as isize) * *g.offset(34 as isize); + *g.offset(43 as isize) = *c0z.offset(3 as isize) * *g.offset(35 as isize); + *g.offset(44 as isize) = *cpz.offset(0 as isize) * *g.offset(40 as isize) + *b00.offset(0 as isize) * *g.offset(32 as isize); - *g - .offset( - 45 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(41 as isize) + *g.offset(45 as isize) = *cpz.offset(1 as isize) * *g.offset(41 as isize) + *b00.offset(1 as isize) * *g.offset(33 as isize); - *g - .offset( - 46 as isize, - ) = *cpz.offset(2 as isize) - * *g.offset(42 as isize) + *g.offset(46 as isize) = *cpz.offset(2 as isize) * *g.offset(42 as isize) + *b00.offset(2 as isize) * *g.offset(34 as isize); - *g - .offset( - 47 as isize, - ) = *cpz.offset(3 as isize) - * *g.offset(43 as isize) + *g.offset(47 as isize) = *cpz.offset(3 as isize) * *g.offset(43 as isize) + *b00.offset(3 as isize) * *g.offset(35 as isize); } #[inline] @@ -7722,114 +3825,46 @@ unsafe extern "C" fn _srg0_2d4d_0111( *g.offset(9 as isize) = *cpx.offset(1 as isize); *g.offset(10 as isize) = *cpx.offset(2 as isize); *g.offset(11 as isize) = *cpx.offset(3 as isize); - *g - .offset( - 32 as isize, - ) = *cpx.offset(0 as isize) - * *c0x.offset(0 as isize) - + *b00.offset(0 as isize); - *g - .offset( - 33 as isize, - ) = *cpx.offset(1 as isize) - * *c0x.offset(1 as isize) - + *b00.offset(1 as isize); - *g - .offset( - 34 as isize, - ) = *cpx.offset(2 as isize) - * *c0x.offset(2 as isize) - + *b00.offset(2 as isize); - *g - .offset( - 35 as isize, - ) = *cpx.offset(3 as isize) - * *c0x.offset(3 as isize) - + *b00.offset(3 as isize); - *g - .offset( - 12 as isize, - ) = *cpx.offset(0 as isize) - * (xkxl + *cpx.offset(0 as isize)) - + *b01.offset(0 as isize); - *g - .offset( - 13 as isize, - ) = *cpx.offset(1 as isize) - * (xkxl + *cpx.offset(1 as isize)) - + *b01.offset(1 as isize); - *g - .offset( - 14 as isize, - ) = *cpx.offset(2 as isize) - * (xkxl + *cpx.offset(2 as isize)) - + *b01.offset(2 as isize); - *g - .offset( - 15 as isize, - ) = *cpx.offset(3 as isize) - * (xkxl + *cpx.offset(3 as isize)) - + *b01.offset(3 as isize); - *g - .offset( - 36 as isize, - ) = *g.offset(32 as isize) - * (xkxl + *cpx.offset(0 as isize)) + *g.offset(32 as isize) = + *cpx.offset(0 as isize) * *c0x.offset(0 as isize) + *b00.offset(0 as isize); + *g.offset(33 as isize) = + *cpx.offset(1 as isize) * *c0x.offset(1 as isize) + *b00.offset(1 as isize); + *g.offset(34 as isize) = + *cpx.offset(2 as isize) * *c0x.offset(2 as isize) + *b00.offset(2 as isize); + *g.offset(35 as isize) = + *cpx.offset(3 as isize) * *c0x.offset(3 as isize) + *b00.offset(3 as isize); + *g.offset(12 as isize) = + *cpx.offset(0 as isize) * (xkxl + *cpx.offset(0 as isize)) + *b01.offset(0 as isize); + *g.offset(13 as isize) = + *cpx.offset(1 as isize) * (xkxl + *cpx.offset(1 as isize)) + *b01.offset(1 as isize); + *g.offset(14 as isize) = + *cpx.offset(2 as isize) * (xkxl + *cpx.offset(2 as isize)) + *b01.offset(2 as isize); + *g.offset(15 as isize) = + *cpx.offset(3 as isize) * (xkxl + *cpx.offset(3 as isize)) + *b01.offset(3 as isize); + *g.offset(36 as isize) = *g.offset(32 as isize) * (xkxl + *cpx.offset(0 as isize)) + *cpx.offset(0 as isize) * *b00.offset(0 as isize) - + *b01.offset(0 as isize) - * *c0x.offset(0 as isize); - *g - .offset( - 37 as isize, - ) = *g.offset(33 as isize) - * (xkxl + *cpx.offset(1 as isize)) + + *b01.offset(0 as isize) * *c0x.offset(0 as isize); + *g.offset(37 as isize) = *g.offset(33 as isize) * (xkxl + *cpx.offset(1 as isize)) + *cpx.offset(1 as isize) * *b00.offset(1 as isize) - + *b01.offset(1 as isize) - * *c0x.offset(1 as isize); - *g - .offset( - 38 as isize, - ) = *g.offset(34 as isize) - * (xkxl + *cpx.offset(2 as isize)) + + *b01.offset(1 as isize) * *c0x.offset(1 as isize); + *g.offset(38 as isize) = *g.offset(34 as isize) * (xkxl + *cpx.offset(2 as isize)) + *cpx.offset(2 as isize) * *b00.offset(2 as isize) - + *b01.offset(2 as isize) - * *c0x.offset(2 as isize); - *g - .offset( - 39 as isize, - ) = *g.offset(35 as isize) - * (xkxl + *cpx.offset(3 as isize)) + + *b01.offset(2 as isize) * *c0x.offset(2 as isize); + *g.offset(39 as isize) = *g.offset(35 as isize) * (xkxl + *cpx.offset(3 as isize)) + *cpx.offset(3 as isize) * *b00.offset(3 as isize) - + *b01.offset(3 as isize) - * *c0x.offset(3 as isize); + + *b01.offset(3 as isize) * *c0x.offset(3 as isize); *g.offset(4 as isize) = xkxl + *cpx.offset(0 as isize); *g.offset(5 as isize) = xkxl + *cpx.offset(1 as isize); *g.offset(6 as isize) = xkxl + *cpx.offset(2 as isize); *g.offset(7 as isize) = xkxl + *cpx.offset(3 as isize); - *g - .offset( - 28 as isize, - ) = *c0x.offset(0 as isize) - * (xkxl + *cpx.offset(0 as isize)) - + *b00.offset(0 as isize); - *g - .offset( - 29 as isize, - ) = *c0x.offset(1 as isize) - * (xkxl + *cpx.offset(1 as isize)) - + *b00.offset(1 as isize); - *g - .offset( - 30 as isize, - ) = *c0x.offset(2 as isize) - * (xkxl + *cpx.offset(2 as isize)) - + *b00.offset(2 as isize); - *g - .offset( - 31 as isize, - ) = *c0x.offset(3 as isize) - * (xkxl + *cpx.offset(3 as isize)) - + *b00.offset(3 as isize); + *g.offset(28 as isize) = + *c0x.offset(0 as isize) * (xkxl + *cpx.offset(0 as isize)) + *b00.offset(0 as isize); + *g.offset(29 as isize) = + *c0x.offset(1 as isize) * (xkxl + *cpx.offset(1 as isize)) + *b00.offset(1 as isize); + *g.offset(30 as isize) = + *c0x.offset(2 as isize) * (xkxl + *cpx.offset(2 as isize)) + *b00.offset(2 as isize); + *g.offset(31 as isize) = + *c0x.offset(3 as isize) * (xkxl + *cpx.offset(3 as isize)) + *b00.offset(3 as isize); *g.offset(48 as isize) = 1 as f64; *g.offset(49 as isize) = 1 as f64; *g.offset(50 as isize) = 1 as f64; @@ -7842,289 +3877,93 @@ unsafe extern "C" fn _srg0_2d4d_0111( *g.offset(57 as isize) = *cpy.offset(1 as isize); *g.offset(58 as isize) = *cpy.offset(2 as isize); *g.offset(59 as isize) = *cpy.offset(3 as isize); - *g - .offset( - 80 as isize, - ) = *cpy.offset(0 as isize) - * *c0y.offset(0 as isize) - + *b00.offset(0 as isize); - *g - .offset( - 81 as isize, - ) = *cpy.offset(1 as isize) - * *c0y.offset(1 as isize) - + *b00.offset(1 as isize); - *g - .offset( - 82 as isize, - ) = *cpy.offset(2 as isize) - * *c0y.offset(2 as isize) - + *b00.offset(2 as isize); - *g - .offset( - 83 as isize, - ) = *cpy.offset(3 as isize) - * *c0y.offset(3 as isize) - + *b00.offset(3 as isize); - *g - .offset( - 60 as isize, - ) = *cpy.offset(0 as isize) - * (ykyl + *cpy.offset(0 as isize)) - + *b01.offset(0 as isize); - *g - .offset( - 61 as isize, - ) = *cpy.offset(1 as isize) - * (ykyl + *cpy.offset(1 as isize)) - + *b01.offset(1 as isize); - *g - .offset( - 62 as isize, - ) = *cpy.offset(2 as isize) - * (ykyl + *cpy.offset(2 as isize)) - + *b01.offset(2 as isize); - *g - .offset( - 63 as isize, - ) = *cpy.offset(3 as isize) - * (ykyl + *cpy.offset(3 as isize)) - + *b01.offset(3 as isize); - *g - .offset( - 84 as isize, - ) = *g.offset(80 as isize) - * (ykyl + *cpy.offset(0 as isize)) + *g.offset(80 as isize) = + *cpy.offset(0 as isize) * *c0y.offset(0 as isize) + *b00.offset(0 as isize); + *g.offset(81 as isize) = + *cpy.offset(1 as isize) * *c0y.offset(1 as isize) + *b00.offset(1 as isize); + *g.offset(82 as isize) = + *cpy.offset(2 as isize) * *c0y.offset(2 as isize) + *b00.offset(2 as isize); + *g.offset(83 as isize) = + *cpy.offset(3 as isize) * *c0y.offset(3 as isize) + *b00.offset(3 as isize); + *g.offset(60 as isize) = + *cpy.offset(0 as isize) * (ykyl + *cpy.offset(0 as isize)) + *b01.offset(0 as isize); + *g.offset(61 as isize) = + *cpy.offset(1 as isize) * (ykyl + *cpy.offset(1 as isize)) + *b01.offset(1 as isize); + *g.offset(62 as isize) = + *cpy.offset(2 as isize) * (ykyl + *cpy.offset(2 as isize)) + *b01.offset(2 as isize); + *g.offset(63 as isize) = + *cpy.offset(3 as isize) * (ykyl + *cpy.offset(3 as isize)) + *b01.offset(3 as isize); + *g.offset(84 as isize) = *g.offset(80 as isize) * (ykyl + *cpy.offset(0 as isize)) + *cpy.offset(0 as isize) * *b00.offset(0 as isize) - + *b01.offset(0 as isize) - * *c0y.offset(0 as isize); - *g - .offset( - 85 as isize, - ) = *g.offset(81 as isize) - * (ykyl + *cpy.offset(1 as isize)) + + *b01.offset(0 as isize) * *c0y.offset(0 as isize); + *g.offset(85 as isize) = *g.offset(81 as isize) * (ykyl + *cpy.offset(1 as isize)) + *cpy.offset(1 as isize) * *b00.offset(1 as isize) - + *b01.offset(1 as isize) - * *c0y.offset(1 as isize); - *g - .offset( - 86 as isize, - ) = *g.offset(82 as isize) - * (ykyl + *cpy.offset(2 as isize)) + + *b01.offset(1 as isize) * *c0y.offset(1 as isize); + *g.offset(86 as isize) = *g.offset(82 as isize) * (ykyl + *cpy.offset(2 as isize)) + *cpy.offset(2 as isize) * *b00.offset(2 as isize) - + *b01.offset(2 as isize) - * *c0y.offset(2 as isize); - *g - .offset( - 87 as isize, - ) = *g.offset(83 as isize) - * (ykyl + *cpy.offset(3 as isize)) + + *b01.offset(2 as isize) * *c0y.offset(2 as isize); + *g.offset(87 as isize) = *g.offset(83 as isize) * (ykyl + *cpy.offset(3 as isize)) + *cpy.offset(3 as isize) * *b00.offset(3 as isize) - + *b01.offset(3 as isize) - * *c0y.offset(3 as isize); - *g - .offset( - 52 as isize, - ) = ykyl + *cpy.offset(0 as isize); - *g - .offset( - 53 as isize, - ) = ykyl + *cpy.offset(1 as isize); - *g - .offset( - 54 as isize, - ) = ykyl + *cpy.offset(2 as isize); - *g - .offset( - 55 as isize, - ) = ykyl + *cpy.offset(3 as isize); - *g - .offset( - 76 as isize, - ) = *c0y.offset(0 as isize) - * (ykyl + *cpy.offset(0 as isize)) - + *b00.offset(0 as isize); - *g - .offset( - 77 as isize, - ) = *c0y.offset(1 as isize) - * (ykyl + *cpy.offset(1 as isize)) - + *b00.offset(1 as isize); - *g - .offset( - 78 as isize, - ) = *c0y.offset(2 as isize) - * (ykyl + *cpy.offset(2 as isize)) - + *b00.offset(2 as isize); - *g - .offset( - 79 as isize, - ) = *c0y.offset(3 as isize) - * (ykyl + *cpy.offset(3 as isize)) - + *b00.offset(3 as isize); - *g - .offset( - 120 as isize, - ) = *c0z.offset(0 as isize) - * *g.offset(96 as isize); - *g - .offset( - 121 as isize, - ) = *c0z.offset(1 as isize) - * *g.offset(97 as isize); - *g - .offset( - 122 as isize, - ) = *c0z.offset(2 as isize) - * *g.offset(98 as isize); - *g - .offset( - 123 as isize, - ) = *c0z.offset(3 as isize) - * *g.offset(99 as isize); - *g - .offset( - 104 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(96 as isize); - *g - .offset( - 105 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(97 as isize); - *g - .offset( - 106 as isize, - ) = *cpz.offset(2 as isize) - * *g.offset(98 as isize); - *g - .offset( - 107 as isize, - ) = *cpz.offset(3 as isize) - * *g.offset(99 as isize); - *g - .offset( - 128 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(120 as isize) + + *b01.offset(3 as isize) * *c0y.offset(3 as isize); + *g.offset(52 as isize) = ykyl + *cpy.offset(0 as isize); + *g.offset(53 as isize) = ykyl + *cpy.offset(1 as isize); + *g.offset(54 as isize) = ykyl + *cpy.offset(2 as isize); + *g.offset(55 as isize) = ykyl + *cpy.offset(3 as isize); + *g.offset(76 as isize) = + *c0y.offset(0 as isize) * (ykyl + *cpy.offset(0 as isize)) + *b00.offset(0 as isize); + *g.offset(77 as isize) = + *c0y.offset(1 as isize) * (ykyl + *cpy.offset(1 as isize)) + *b00.offset(1 as isize); + *g.offset(78 as isize) = + *c0y.offset(2 as isize) * (ykyl + *cpy.offset(2 as isize)) + *b00.offset(2 as isize); + *g.offset(79 as isize) = + *c0y.offset(3 as isize) * (ykyl + *cpy.offset(3 as isize)) + *b00.offset(3 as isize); + *g.offset(120 as isize) = *c0z.offset(0 as isize) * *g.offset(96 as isize); + *g.offset(121 as isize) = *c0z.offset(1 as isize) * *g.offset(97 as isize); + *g.offset(122 as isize) = *c0z.offset(2 as isize) * *g.offset(98 as isize); + *g.offset(123 as isize) = *c0z.offset(3 as isize) * *g.offset(99 as isize); + *g.offset(104 as isize) = *cpz.offset(0 as isize) * *g.offset(96 as isize); + *g.offset(105 as isize) = *cpz.offset(1 as isize) * *g.offset(97 as isize); + *g.offset(106 as isize) = *cpz.offset(2 as isize) * *g.offset(98 as isize); + *g.offset(107 as isize) = *cpz.offset(3 as isize) * *g.offset(99 as isize); + *g.offset(128 as isize) = *cpz.offset(0 as isize) * *g.offset(120 as isize) + *b00.offset(0 as isize) * *g.offset(96 as isize); - *g - .offset( - 129 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(121 as isize) + *g.offset(129 as isize) = *cpz.offset(1 as isize) * *g.offset(121 as isize) + *b00.offset(1 as isize) * *g.offset(97 as isize); - *g - .offset( - 130 as isize, - ) = *cpz.offset(2 as isize) - * *g.offset(122 as isize) + *g.offset(130 as isize) = *cpz.offset(2 as isize) * *g.offset(122 as isize) + *b00.offset(2 as isize) * *g.offset(98 as isize); - *g - .offset( - 131 as isize, - ) = *cpz.offset(3 as isize) - * *g.offset(123 as isize) + *g.offset(131 as isize) = *cpz.offset(3 as isize) * *g.offset(123 as isize) + *b00.offset(3 as isize) * *g.offset(99 as isize); - *g - .offset( - 108 as isize, - ) = *g.offset(104 as isize) - * (zkzl + *cpz.offset(0 as isize)) + *g.offset(108 as isize) = *g.offset(104 as isize) * (zkzl + *cpz.offset(0 as isize)) + *b01.offset(0 as isize) * *g.offset(96 as isize); - *g - .offset( - 109 as isize, - ) = *g.offset(105 as isize) - * (zkzl + *cpz.offset(1 as isize)) + *g.offset(109 as isize) = *g.offset(105 as isize) * (zkzl + *cpz.offset(1 as isize)) + *b01.offset(1 as isize) * *g.offset(97 as isize); - *g - .offset( - 110 as isize, - ) = *g.offset(106 as isize) - * (zkzl + *cpz.offset(2 as isize)) + *g.offset(110 as isize) = *g.offset(106 as isize) * (zkzl + *cpz.offset(2 as isize)) + *b01.offset(2 as isize) * *g.offset(98 as isize); - *g - .offset( - 111 as isize, - ) = *g.offset(107 as isize) - * (zkzl + *cpz.offset(3 as isize)) + *g.offset(111 as isize) = *g.offset(107 as isize) * (zkzl + *cpz.offset(3 as isize)) + *b01.offset(3 as isize) * *g.offset(99 as isize); - *g - .offset( - 132 as isize, - ) = *g.offset(128 as isize) - * (zkzl + *cpz.offset(0 as isize)) + *g.offset(132 as isize) = *g.offset(128 as isize) * (zkzl + *cpz.offset(0 as isize)) + *b01.offset(0 as isize) * *g.offset(120 as isize) - + *b00.offset(0 as isize) - * *g.offset(104 as isize); - *g - .offset( - 133 as isize, - ) = *g.offset(129 as isize) - * (zkzl + *cpz.offset(1 as isize)) + + *b00.offset(0 as isize) * *g.offset(104 as isize); + *g.offset(133 as isize) = *g.offset(129 as isize) * (zkzl + *cpz.offset(1 as isize)) + *b01.offset(1 as isize) * *g.offset(121 as isize) - + *b00.offset(1 as isize) - * *g.offset(105 as isize); - *g - .offset( - 134 as isize, - ) = *g.offset(130 as isize) - * (zkzl + *cpz.offset(2 as isize)) + + *b00.offset(1 as isize) * *g.offset(105 as isize); + *g.offset(134 as isize) = *g.offset(130 as isize) * (zkzl + *cpz.offset(2 as isize)) + *b01.offset(2 as isize) * *g.offset(122 as isize) - + *b00.offset(2 as isize) - * *g.offset(106 as isize); - *g - .offset( - 135 as isize, - ) = *g.offset(131 as isize) - * (zkzl + *cpz.offset(3 as isize)) + + *b00.offset(2 as isize) * *g.offset(106 as isize); + *g.offset(135 as isize) = *g.offset(131 as isize) * (zkzl + *cpz.offset(3 as isize)) + *b01.offset(3 as isize) * *g.offset(123 as isize) - + *b00.offset(3 as isize) - * *g.offset(107 as isize); - *g - .offset( - 100 as isize, - ) = *g.offset(96 as isize) - * (zkzl + *cpz.offset(0 as isize)); - *g - .offset( - 101 as isize, - ) = *g.offset(97 as isize) - * (zkzl + *cpz.offset(1 as isize)); - *g - .offset( - 102 as isize, - ) = *g.offset(98 as isize) - * (zkzl + *cpz.offset(2 as isize)); - *g - .offset( - 103 as isize, - ) = *g.offset(99 as isize) - * (zkzl + *cpz.offset(3 as isize)); - *g - .offset( - 124 as isize, - ) = *g.offset(120 as isize) - * (zkzl + *cpz.offset(0 as isize)) + + *b00.offset(3 as isize) * *g.offset(107 as isize); + *g.offset(100 as isize) = *g.offset(96 as isize) * (zkzl + *cpz.offset(0 as isize)); + *g.offset(101 as isize) = *g.offset(97 as isize) * (zkzl + *cpz.offset(1 as isize)); + *g.offset(102 as isize) = *g.offset(98 as isize) * (zkzl + *cpz.offset(2 as isize)); + *g.offset(103 as isize) = *g.offset(99 as isize) * (zkzl + *cpz.offset(3 as isize)); + *g.offset(124 as isize) = *g.offset(120 as isize) * (zkzl + *cpz.offset(0 as isize)) + *b00.offset(0 as isize) * *g.offset(96 as isize); - *g - .offset( - 125 as isize, - ) = *g.offset(121 as isize) - * (zkzl + *cpz.offset(1 as isize)) + *g.offset(125 as isize) = *g.offset(121 as isize) * (zkzl + *cpz.offset(1 as isize)) + *b00.offset(1 as isize) * *g.offset(97 as isize); - *g - .offset( - 126 as isize, - ) = *g.offset(122 as isize) - * (zkzl + *cpz.offset(2 as isize)) + *g.offset(126 as isize) = *g.offset(122 as isize) * (zkzl + *cpz.offset(2 as isize)) + *b00.offset(2 as isize) * *g.offset(98 as isize); - *g - .offset( - 127 as isize, - ) = *g.offset(123 as isize) - * (zkzl + *cpz.offset(3 as isize)) + *g.offset(127 as isize) = *g.offset(123 as isize) * (zkzl + *cpz.offset(3 as isize)) + *b00.offset(3 as isize) * *g.offset(99 as isize); } #[inline] @@ -8153,86 +3992,34 @@ unsafe extern "C" fn _srg0_2d4d_0120( *g.offset(13 as isize) = *c0x.offset(1 as isize); *g.offset(14 as isize) = *c0x.offset(2 as isize); *g.offset(15 as isize) = *c0x.offset(3 as isize); - *g - .offset( - 8 as isize, - ) = *cpx.offset(0 as isize) - * *cpx.offset(0 as isize) - + *b01.offset(0 as isize); - *g - .offset( - 9 as isize, - ) = *cpx.offset(1 as isize) - * *cpx.offset(1 as isize) - + *b01.offset(1 as isize); - *g - .offset( - 10 as isize, - ) = *cpx.offset(2 as isize) - * *cpx.offset(2 as isize) - + *b01.offset(2 as isize); - *g - .offset( - 11 as isize, - ) = *cpx.offset(3 as isize) - * *cpx.offset(3 as isize) - + *b01.offset(3 as isize); - *g - .offset( - 16 as isize, - ) = *cpx.offset(0 as isize) - * *c0x.offset(0 as isize) - + *b00.offset(0 as isize); - *g - .offset( - 17 as isize, - ) = *cpx.offset(1 as isize) - * *c0x.offset(1 as isize) - + *b00.offset(1 as isize); - *g - .offset( - 18 as isize, - ) = *cpx.offset(2 as isize) - * *c0x.offset(2 as isize) - + *b00.offset(2 as isize); - *g - .offset( - 19 as isize, - ) = *cpx.offset(3 as isize) - * *c0x.offset(3 as isize) - + *b00.offset(3 as isize); - *g - .offset( - 20 as isize, - ) = *cpx.offset(0 as isize) - * (*g.offset(16 as isize) - + *b00.offset(0 as isize)) - + *b01.offset(0 as isize) - * *c0x.offset(0 as isize); - *g - .offset( - 21 as isize, - ) = *cpx.offset(1 as isize) - * (*g.offset(17 as isize) - + *b00.offset(1 as isize)) - + *b01.offset(1 as isize) - * *c0x.offset(1 as isize); - *g - .offset( - 22 as isize, - ) = *cpx.offset(2 as isize) - * (*g.offset(18 as isize) - + *b00.offset(2 as isize)) - + *b01.offset(2 as isize) - * *c0x.offset(2 as isize); - *g - .offset( - 23 as isize, - ) = *cpx.offset(3 as isize) - * (*g.offset(19 as isize) - + *b00.offset(3 as isize)) - + *b01.offset(3 as isize) - * *c0x.offset(3 as isize); + *g.offset(8 as isize) = + *cpx.offset(0 as isize) * *cpx.offset(0 as isize) + *b01.offset(0 as isize); + *g.offset(9 as isize) = + *cpx.offset(1 as isize) * *cpx.offset(1 as isize) + *b01.offset(1 as isize); + *g.offset(10 as isize) = + *cpx.offset(2 as isize) * *cpx.offset(2 as isize) + *b01.offset(2 as isize); + *g.offset(11 as isize) = + *cpx.offset(3 as isize) * *cpx.offset(3 as isize) + *b01.offset(3 as isize); + *g.offset(16 as isize) = + *cpx.offset(0 as isize) * *c0x.offset(0 as isize) + *b00.offset(0 as isize); + *g.offset(17 as isize) = + *cpx.offset(1 as isize) * *c0x.offset(1 as isize) + *b00.offset(1 as isize); + *g.offset(18 as isize) = + *cpx.offset(2 as isize) * *c0x.offset(2 as isize) + *b00.offset(2 as isize); + *g.offset(19 as isize) = + *cpx.offset(3 as isize) * *c0x.offset(3 as isize) + *b00.offset(3 as isize); + *g.offset(20 as isize) = *cpx.offset(0 as isize) + * (*g.offset(16 as isize) + *b00.offset(0 as isize)) + + *b01.offset(0 as isize) * *c0x.offset(0 as isize); + *g.offset(21 as isize) = *cpx.offset(1 as isize) + * (*g.offset(17 as isize) + *b00.offset(1 as isize)) + + *b01.offset(1 as isize) * *c0x.offset(1 as isize); + *g.offset(22 as isize) = *cpx.offset(2 as isize) + * (*g.offset(18 as isize) + *b00.offset(2 as isize)) + + *b01.offset(2 as isize) * *c0x.offset(2 as isize); + *g.offset(23 as isize) = *cpx.offset(3 as isize) + * (*g.offset(19 as isize) + *b00.offset(3 as isize)) + + *b01.offset(3 as isize) * *c0x.offset(3 as isize); *g.offset(24 as isize) = 1 as f64; *g.offset(25 as isize) = 1 as f64; *g.offset(26 as isize) = 1 as f64; @@ -8245,200 +4032,68 @@ unsafe extern "C" fn _srg0_2d4d_0120( *g.offset(37 as isize) = *c0y.offset(1 as isize); *g.offset(38 as isize) = *c0y.offset(2 as isize); *g.offset(39 as isize) = *c0y.offset(3 as isize); - *g - .offset( - 32 as isize, - ) = *cpy.offset(0 as isize) - * *cpy.offset(0 as isize) - + *b01.offset(0 as isize); - *g - .offset( - 33 as isize, - ) = *cpy.offset(1 as isize) - * *cpy.offset(1 as isize) - + *b01.offset(1 as isize); - *g - .offset( - 34 as isize, - ) = *cpy.offset(2 as isize) - * *cpy.offset(2 as isize) - + *b01.offset(2 as isize); - *g - .offset( - 35 as isize, - ) = *cpy.offset(3 as isize) - * *cpy.offset(3 as isize) - + *b01.offset(3 as isize); - *g - .offset( - 40 as isize, - ) = *cpy.offset(0 as isize) - * *c0y.offset(0 as isize) - + *b00.offset(0 as isize); - *g - .offset( - 41 as isize, - ) = *cpy.offset(1 as isize) - * *c0y.offset(1 as isize) - + *b00.offset(1 as isize); - *g - .offset( - 42 as isize, - ) = *cpy.offset(2 as isize) - * *c0y.offset(2 as isize) - + *b00.offset(2 as isize); - *g - .offset( - 43 as isize, - ) = *cpy.offset(3 as isize) - * *c0y.offset(3 as isize) - + *b00.offset(3 as isize); - *g - .offset( - 44 as isize, - ) = *cpy.offset(0 as isize) - * (*g.offset(40 as isize) - + *b00.offset(0 as isize)) - + *b01.offset(0 as isize) - * *c0y.offset(0 as isize); - *g - .offset( - 45 as isize, - ) = *cpy.offset(1 as isize) - * (*g.offset(41 as isize) - + *b00.offset(1 as isize)) - + *b01.offset(1 as isize) - * *c0y.offset(1 as isize); - *g - .offset( - 46 as isize, - ) = *cpy.offset(2 as isize) - * (*g.offset(42 as isize) - + *b00.offset(2 as isize)) - + *b01.offset(2 as isize) - * *c0y.offset(2 as isize); - *g - .offset( - 47 as isize, - ) = *cpy.offset(3 as isize) - * (*g.offset(43 as isize) - + *b00.offset(3 as isize)) - + *b01.offset(3 as isize) - * *c0y.offset(3 as isize); - *g - .offset( - 52 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(48 as isize); - *g - .offset( - 53 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(49 as isize); - *g - .offset( - 54 as isize, - ) = *cpz.offset(2 as isize) - * *g.offset(50 as isize); - *g - .offset( - 55 as isize, - ) = *cpz.offset(3 as isize) - * *g.offset(51 as isize); - *g - .offset( - 60 as isize, - ) = *c0z.offset(0 as isize) - * *g.offset(48 as isize); - *g - .offset( - 61 as isize, - ) = *c0z.offset(1 as isize) - * *g.offset(49 as isize); - *g - .offset( - 62 as isize, - ) = *c0z.offset(2 as isize) - * *g.offset(50 as isize); - *g - .offset( - 63 as isize, - ) = *c0z.offset(3 as isize) - * *g.offset(51 as isize); - *g - .offset( - 56 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(52 as isize) + *g.offset(32 as isize) = + *cpy.offset(0 as isize) * *cpy.offset(0 as isize) + *b01.offset(0 as isize); + *g.offset(33 as isize) = + *cpy.offset(1 as isize) * *cpy.offset(1 as isize) + *b01.offset(1 as isize); + *g.offset(34 as isize) = + *cpy.offset(2 as isize) * *cpy.offset(2 as isize) + *b01.offset(2 as isize); + *g.offset(35 as isize) = + *cpy.offset(3 as isize) * *cpy.offset(3 as isize) + *b01.offset(3 as isize); + *g.offset(40 as isize) = + *cpy.offset(0 as isize) * *c0y.offset(0 as isize) + *b00.offset(0 as isize); + *g.offset(41 as isize) = + *cpy.offset(1 as isize) * *c0y.offset(1 as isize) + *b00.offset(1 as isize); + *g.offset(42 as isize) = + *cpy.offset(2 as isize) * *c0y.offset(2 as isize) + *b00.offset(2 as isize); + *g.offset(43 as isize) = + *cpy.offset(3 as isize) * *c0y.offset(3 as isize) + *b00.offset(3 as isize); + *g.offset(44 as isize) = *cpy.offset(0 as isize) + * (*g.offset(40 as isize) + *b00.offset(0 as isize)) + + *b01.offset(0 as isize) * *c0y.offset(0 as isize); + *g.offset(45 as isize) = *cpy.offset(1 as isize) + * (*g.offset(41 as isize) + *b00.offset(1 as isize)) + + *b01.offset(1 as isize) * *c0y.offset(1 as isize); + *g.offset(46 as isize) = *cpy.offset(2 as isize) + * (*g.offset(42 as isize) + *b00.offset(2 as isize)) + + *b01.offset(2 as isize) * *c0y.offset(2 as isize); + *g.offset(47 as isize) = *cpy.offset(3 as isize) + * (*g.offset(43 as isize) + *b00.offset(3 as isize)) + + *b01.offset(3 as isize) * *c0y.offset(3 as isize); + *g.offset(52 as isize) = *cpz.offset(0 as isize) * *g.offset(48 as isize); + *g.offset(53 as isize) = *cpz.offset(1 as isize) * *g.offset(49 as isize); + *g.offset(54 as isize) = *cpz.offset(2 as isize) * *g.offset(50 as isize); + *g.offset(55 as isize) = *cpz.offset(3 as isize) * *g.offset(51 as isize); + *g.offset(60 as isize) = *c0z.offset(0 as isize) * *g.offset(48 as isize); + *g.offset(61 as isize) = *c0z.offset(1 as isize) * *g.offset(49 as isize); + *g.offset(62 as isize) = *c0z.offset(2 as isize) * *g.offset(50 as isize); + *g.offset(63 as isize) = *c0z.offset(3 as isize) * *g.offset(51 as isize); + *g.offset(56 as isize) = *cpz.offset(0 as isize) * *g.offset(52 as isize) + *b01.offset(0 as isize) * *g.offset(48 as isize); - *g - .offset( - 57 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(53 as isize) + *g.offset(57 as isize) = *cpz.offset(1 as isize) * *g.offset(53 as isize) + *b01.offset(1 as isize) * *g.offset(49 as isize); - *g - .offset( - 58 as isize, - ) = *cpz.offset(2 as isize) - * *g.offset(54 as isize) + *g.offset(58 as isize) = *cpz.offset(2 as isize) * *g.offset(54 as isize) + *b01.offset(2 as isize) * *g.offset(50 as isize); - *g - .offset( - 59 as isize, - ) = *cpz.offset(3 as isize) - * *g.offset(55 as isize) + *g.offset(59 as isize) = *cpz.offset(3 as isize) * *g.offset(55 as isize) + *b01.offset(3 as isize) * *g.offset(51 as isize); - *g - .offset( - 64 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(60 as isize) + *g.offset(64 as isize) = *cpz.offset(0 as isize) * *g.offset(60 as isize) + *b00.offset(0 as isize) * *g.offset(48 as isize); - *g - .offset( - 65 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(61 as isize) + *g.offset(65 as isize) = *cpz.offset(1 as isize) * *g.offset(61 as isize) + *b00.offset(1 as isize) * *g.offset(49 as isize); - *g - .offset( - 66 as isize, - ) = *cpz.offset(2 as isize) - * *g.offset(62 as isize) + *g.offset(66 as isize) = *cpz.offset(2 as isize) * *g.offset(62 as isize) + *b00.offset(2 as isize) * *g.offset(50 as isize); - *g - .offset( - 67 as isize, - ) = *cpz.offset(3 as isize) - * *g.offset(63 as isize) + *g.offset(67 as isize) = *cpz.offset(3 as isize) * *g.offset(63 as isize) + *b00.offset(3 as isize) * *g.offset(51 as isize); - *g - .offset( - 68 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(64 as isize) + *g.offset(68 as isize) = *cpz.offset(0 as isize) * *g.offset(64 as isize) + *b01.offset(0 as isize) * *g.offset(60 as isize) + *b00.offset(0 as isize) * *g.offset(52 as isize); - *g - .offset( - 69 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(65 as isize) + *g.offset(69 as isize) = *cpz.offset(1 as isize) * *g.offset(65 as isize) + *b01.offset(1 as isize) * *g.offset(61 as isize) + *b00.offset(1 as isize) * *g.offset(53 as isize); - *g - .offset( - 70 as isize, - ) = *cpz.offset(2 as isize) - * *g.offset(66 as isize) + *g.offset(70 as isize) = *cpz.offset(2 as isize) * *g.offset(66 as isize) + *b01.offset(2 as isize) * *g.offset(62 as isize) + *b00.offset(2 as isize) * *g.offset(54 as isize); - *g - .offset( - 71 as isize, - ) = *cpz.offset(3 as isize) - * *g.offset(67 as isize) + *g.offset(71 as isize) = *cpz.offset(3 as isize) * *g.offset(67 as isize) + *b01.offset(3 as isize) * *g.offset(63 as isize) + *b00.offset(3 as isize) * *g.offset(55 as isize); } @@ -8460,30 +4115,14 @@ unsafe extern "C" fn _srg0_2d4d_0200( *g.offset(5 as isize) = *c0x.offset(1 as isize); *g.offset(6 as isize) = *c0x.offset(2 as isize); *g.offset(7 as isize) = *c0x.offset(3 as isize); - *g - .offset( - 8 as isize, - ) = *c0x.offset(0 as isize) - * *c0x.offset(0 as isize) - + *b10.offset(0 as isize); - *g - .offset( - 9 as isize, - ) = *c0x.offset(1 as isize) - * *c0x.offset(1 as isize) - + *b10.offset(1 as isize); - *g - .offset( - 10 as isize, - ) = *c0x.offset(2 as isize) - * *c0x.offset(2 as isize) - + *b10.offset(2 as isize); - *g - .offset( - 11 as isize, - ) = *c0x.offset(3 as isize) - * *c0x.offset(3 as isize) - + *b10.offset(3 as isize); + *g.offset(8 as isize) = + *c0x.offset(0 as isize) * *c0x.offset(0 as isize) + *b10.offset(0 as isize); + *g.offset(9 as isize) = + *c0x.offset(1 as isize) * *c0x.offset(1 as isize) + *b10.offset(1 as isize); + *g.offset(10 as isize) = + *c0x.offset(2 as isize) * *c0x.offset(2 as isize) + *b10.offset(2 as isize); + *g.offset(11 as isize) = + *c0x.offset(3 as isize) * *c0x.offset(3 as isize) + *b10.offset(3 as isize); *g.offset(12 as isize) = 1 as f64; *g.offset(13 as isize) = 1 as f64; *g.offset(14 as isize) = 1 as f64; @@ -8492,73 +4131,25 @@ unsafe extern "C" fn _srg0_2d4d_0200( *g.offset(17 as isize) = *c0y.offset(1 as isize); *g.offset(18 as isize) = *c0y.offset(2 as isize); *g.offset(19 as isize) = *c0y.offset(3 as isize); - *g - .offset( - 20 as isize, - ) = *c0y.offset(0 as isize) - * *c0y.offset(0 as isize) - + *b10.offset(0 as isize); - *g - .offset( - 21 as isize, - ) = *c0y.offset(1 as isize) - * *c0y.offset(1 as isize) - + *b10.offset(1 as isize); - *g - .offset( - 22 as isize, - ) = *c0y.offset(2 as isize) - * *c0y.offset(2 as isize) - + *b10.offset(2 as isize); - *g - .offset( - 23 as isize, - ) = *c0y.offset(3 as isize) - * *c0y.offset(3 as isize) - + *b10.offset(3 as isize); - *g - .offset( - 28 as isize, - ) = *c0z.offset(0 as isize) - * *g.offset(24 as isize); - *g - .offset( - 29 as isize, - ) = *c0z.offset(1 as isize) - * *g.offset(25 as isize); - *g - .offset( - 30 as isize, - ) = *c0z.offset(2 as isize) - * *g.offset(26 as isize); - *g - .offset( - 31 as isize, - ) = *c0z.offset(3 as isize) - * *g.offset(27 as isize); - *g - .offset( - 32 as isize, - ) = *c0z.offset(0 as isize) - * *g.offset(28 as isize) + *g.offset(20 as isize) = + *c0y.offset(0 as isize) * *c0y.offset(0 as isize) + *b10.offset(0 as isize); + *g.offset(21 as isize) = + *c0y.offset(1 as isize) * *c0y.offset(1 as isize) + *b10.offset(1 as isize); + *g.offset(22 as isize) = + *c0y.offset(2 as isize) * *c0y.offset(2 as isize) + *b10.offset(2 as isize); + *g.offset(23 as isize) = + *c0y.offset(3 as isize) * *c0y.offset(3 as isize) + *b10.offset(3 as isize); + *g.offset(28 as isize) = *c0z.offset(0 as isize) * *g.offset(24 as isize); + *g.offset(29 as isize) = *c0z.offset(1 as isize) * *g.offset(25 as isize); + *g.offset(30 as isize) = *c0z.offset(2 as isize) * *g.offset(26 as isize); + *g.offset(31 as isize) = *c0z.offset(3 as isize) * *g.offset(27 as isize); + *g.offset(32 as isize) = *c0z.offset(0 as isize) * *g.offset(28 as isize) + *b10.offset(0 as isize) * *g.offset(24 as isize); - *g - .offset( - 33 as isize, - ) = *c0z.offset(1 as isize) - * *g.offset(29 as isize) + *g.offset(33 as isize) = *c0z.offset(1 as isize) * *g.offset(29 as isize) + *b10.offset(1 as isize) * *g.offset(25 as isize); - *g - .offset( - 34 as isize, - ) = *c0z.offset(2 as isize) - * *g.offset(30 as isize) + *g.offset(34 as isize) = *c0z.offset(2 as isize) * *g.offset(30 as isize) + *b10.offset(2 as isize) * *g.offset(26 as isize); - *g - .offset( - 35 as isize, - ) = *c0z.offset(3 as isize) - * *g.offset(31 as isize) + *g.offset(35 as isize) = *c0z.offset(3 as isize) * *g.offset(31 as isize) + *b10.offset(3 as isize) * *g.offset(27 as isize); } #[inline] @@ -8583,90 +4174,38 @@ unsafe extern "C" fn _srg0_2d4d_0201( *g.offset(9 as isize) = *c0x.offset(1 as isize); *g.offset(10 as isize) = *c0x.offset(2 as isize); *g.offset(11 as isize) = *c0x.offset(3 as isize); - *g - .offset( - 16 as isize, - ) = *c0x.offset(0 as isize) - * *c0x.offset(0 as isize) - + *b10.offset(0 as isize); - *g - .offset( - 17 as isize, - ) = *c0x.offset(1 as isize) - * *c0x.offset(1 as isize) - + *b10.offset(1 as isize); - *g - .offset( - 18 as isize, - ) = *c0x.offset(2 as isize) - * *c0x.offset(2 as isize) - + *b10.offset(2 as isize); - *g - .offset( - 19 as isize, - ) = *c0x.offset(3 as isize) - * *c0x.offset(3 as isize) - + *b10.offset(3 as isize); + *g.offset(16 as isize) = + *c0x.offset(0 as isize) * *c0x.offset(0 as isize) + *b10.offset(0 as isize); + *g.offset(17 as isize) = + *c0x.offset(1 as isize) * *c0x.offset(1 as isize) + *b10.offset(1 as isize); + *g.offset(18 as isize) = + *c0x.offset(2 as isize) * *c0x.offset(2 as isize) + *b10.offset(2 as isize); + *g.offset(19 as isize) = + *c0x.offset(3 as isize) * *c0x.offset(3 as isize) + *b10.offset(3 as isize); *g.offset(4 as isize) = *cpx.offset(0 as isize); *g.offset(5 as isize) = *cpx.offset(1 as isize); *g.offset(6 as isize) = *cpx.offset(2 as isize); *g.offset(7 as isize) = *cpx.offset(3 as isize); - *g - .offset( - 12 as isize, - ) = *cpx.offset(0 as isize) - * *c0x.offset(0 as isize) - + *b00.offset(0 as isize); - *g - .offset( - 13 as isize, - ) = *cpx.offset(1 as isize) - * *c0x.offset(1 as isize) - + *b00.offset(1 as isize); - *g - .offset( - 14 as isize, - ) = *cpx.offset(2 as isize) - * *c0x.offset(2 as isize) - + *b00.offset(2 as isize); - *g - .offset( - 15 as isize, - ) = *cpx.offset(3 as isize) - * *c0x.offset(3 as isize) - + *b00.offset(3 as isize); - *g - .offset( - 20 as isize, - ) = *c0x.offset(0 as isize) - * (*g.offset(12 as isize) - + *b00.offset(0 as isize)) - + *b10.offset(0 as isize) - * *cpx.offset(0 as isize); - *g - .offset( - 21 as isize, - ) = *c0x.offset(1 as isize) - * (*g.offset(13 as isize) - + *b00.offset(1 as isize)) - + *b10.offset(1 as isize) - * *cpx.offset(1 as isize); - *g - .offset( - 22 as isize, - ) = *c0x.offset(2 as isize) - * (*g.offset(14 as isize) - + *b00.offset(2 as isize)) - + *b10.offset(2 as isize) - * *cpx.offset(2 as isize); - *g - .offset( - 23 as isize, - ) = *c0x.offset(3 as isize) - * (*g.offset(15 as isize) - + *b00.offset(3 as isize)) - + *b10.offset(3 as isize) - * *cpx.offset(3 as isize); + *g.offset(12 as isize) = + *cpx.offset(0 as isize) * *c0x.offset(0 as isize) + *b00.offset(0 as isize); + *g.offset(13 as isize) = + *cpx.offset(1 as isize) * *c0x.offset(1 as isize) + *b00.offset(1 as isize); + *g.offset(14 as isize) = + *cpx.offset(2 as isize) * *c0x.offset(2 as isize) + *b00.offset(2 as isize); + *g.offset(15 as isize) = + *cpx.offset(3 as isize) * *c0x.offset(3 as isize) + *b00.offset(3 as isize); + *g.offset(20 as isize) = *c0x.offset(0 as isize) + * (*g.offset(12 as isize) + *b00.offset(0 as isize)) + + *b10.offset(0 as isize) * *cpx.offset(0 as isize); + *g.offset(21 as isize) = *c0x.offset(1 as isize) + * (*g.offset(13 as isize) + *b00.offset(1 as isize)) + + *b10.offset(1 as isize) * *cpx.offset(1 as isize); + *g.offset(22 as isize) = *c0x.offset(2 as isize) + * (*g.offset(14 as isize) + *b00.offset(2 as isize)) + + *b10.offset(2 as isize) * *cpx.offset(2 as isize); + *g.offset(23 as isize) = *c0x.offset(3 as isize) + * (*g.offset(15 as isize) + *b00.offset(3 as isize)) + + *b10.offset(3 as isize) * *cpx.offset(3 as isize); *g.offset(24 as isize) = 1 as f64; *g.offset(25 as isize) = 1 as f64; *g.offset(26 as isize) = 1 as f64; @@ -8675,204 +4214,72 @@ unsafe extern "C" fn _srg0_2d4d_0201( *g.offset(33 as isize) = *c0y.offset(1 as isize); *g.offset(34 as isize) = *c0y.offset(2 as isize); *g.offset(35 as isize) = *c0y.offset(3 as isize); - *g - .offset( - 40 as isize, - ) = *c0y.offset(0 as isize) - * *c0y.offset(0 as isize) - + *b10.offset(0 as isize); - *g - .offset( - 41 as isize, - ) = *c0y.offset(1 as isize) - * *c0y.offset(1 as isize) - + *b10.offset(1 as isize); - *g - .offset( - 42 as isize, - ) = *c0y.offset(2 as isize) - * *c0y.offset(2 as isize) - + *b10.offset(2 as isize); - *g - .offset( - 43 as isize, - ) = *c0y.offset(3 as isize) - * *c0y.offset(3 as isize) - + *b10.offset(3 as isize); + *g.offset(40 as isize) = + *c0y.offset(0 as isize) * *c0y.offset(0 as isize) + *b10.offset(0 as isize); + *g.offset(41 as isize) = + *c0y.offset(1 as isize) * *c0y.offset(1 as isize) + *b10.offset(1 as isize); + *g.offset(42 as isize) = + *c0y.offset(2 as isize) * *c0y.offset(2 as isize) + *b10.offset(2 as isize); + *g.offset(43 as isize) = + *c0y.offset(3 as isize) * *c0y.offset(3 as isize) + *b10.offset(3 as isize); *g.offset(28 as isize) = *cpy.offset(0 as isize); *g.offset(29 as isize) = *cpy.offset(1 as isize); *g.offset(30 as isize) = *cpy.offset(2 as isize); *g.offset(31 as isize) = *cpy.offset(3 as isize); - *g - .offset( - 36 as isize, - ) = *cpy.offset(0 as isize) - * *c0y.offset(0 as isize) - + *b00.offset(0 as isize); - *g - .offset( - 37 as isize, - ) = *cpy.offset(1 as isize) - * *c0y.offset(1 as isize) - + *b00.offset(1 as isize); - *g - .offset( - 38 as isize, - ) = *cpy.offset(2 as isize) - * *c0y.offset(2 as isize) - + *b00.offset(2 as isize); - *g - .offset( - 39 as isize, - ) = *cpy.offset(3 as isize) - * *c0y.offset(3 as isize) - + *b00.offset(3 as isize); - *g - .offset( - 44 as isize, - ) = *c0y.offset(0 as isize) - * (*g.offset(36 as isize) - + *b00.offset(0 as isize)) - + *b10.offset(0 as isize) - * *cpy.offset(0 as isize); - *g - .offset( - 45 as isize, - ) = *c0y.offset(1 as isize) - * (*g.offset(37 as isize) - + *b00.offset(1 as isize)) - + *b10.offset(1 as isize) - * *cpy.offset(1 as isize); - *g - .offset( - 46 as isize, - ) = *c0y.offset(2 as isize) - * (*g.offset(38 as isize) - + *b00.offset(2 as isize)) - + *b10.offset(2 as isize) - * *cpy.offset(2 as isize); - *g - .offset( - 47 as isize, - ) = *c0y.offset(3 as isize) - * (*g.offset(39 as isize) - + *b00.offset(3 as isize)) - + *b10.offset(3 as isize) - * *cpy.offset(3 as isize); - *g - .offset( - 56 as isize, - ) = *c0z.offset(0 as isize) - * *g.offset(48 as isize); - *g - .offset( - 57 as isize, - ) = *c0z.offset(1 as isize) - * *g.offset(49 as isize); - *g - .offset( - 58 as isize, - ) = *c0z.offset(2 as isize) - * *g.offset(50 as isize); - *g - .offset( - 59 as isize, - ) = *c0z.offset(3 as isize) - * *g.offset(51 as isize); - *g - .offset( - 64 as isize, - ) = *c0z.offset(0 as isize) - * *g.offset(56 as isize) + *g.offset(36 as isize) = + *cpy.offset(0 as isize) * *c0y.offset(0 as isize) + *b00.offset(0 as isize); + *g.offset(37 as isize) = + *cpy.offset(1 as isize) * *c0y.offset(1 as isize) + *b00.offset(1 as isize); + *g.offset(38 as isize) = + *cpy.offset(2 as isize) * *c0y.offset(2 as isize) + *b00.offset(2 as isize); + *g.offset(39 as isize) = + *cpy.offset(3 as isize) * *c0y.offset(3 as isize) + *b00.offset(3 as isize); + *g.offset(44 as isize) = *c0y.offset(0 as isize) + * (*g.offset(36 as isize) + *b00.offset(0 as isize)) + + *b10.offset(0 as isize) * *cpy.offset(0 as isize); + *g.offset(45 as isize) = *c0y.offset(1 as isize) + * (*g.offset(37 as isize) + *b00.offset(1 as isize)) + + *b10.offset(1 as isize) * *cpy.offset(1 as isize); + *g.offset(46 as isize) = *c0y.offset(2 as isize) + * (*g.offset(38 as isize) + *b00.offset(2 as isize)) + + *b10.offset(2 as isize) * *cpy.offset(2 as isize); + *g.offset(47 as isize) = *c0y.offset(3 as isize) + * (*g.offset(39 as isize) + *b00.offset(3 as isize)) + + *b10.offset(3 as isize) * *cpy.offset(3 as isize); + *g.offset(56 as isize) = *c0z.offset(0 as isize) * *g.offset(48 as isize); + *g.offset(57 as isize) = *c0z.offset(1 as isize) * *g.offset(49 as isize); + *g.offset(58 as isize) = *c0z.offset(2 as isize) * *g.offset(50 as isize); + *g.offset(59 as isize) = *c0z.offset(3 as isize) * *g.offset(51 as isize); + *g.offset(64 as isize) = *c0z.offset(0 as isize) * *g.offset(56 as isize) + *b10.offset(0 as isize) * *g.offset(48 as isize); - *g - .offset( - 65 as isize, - ) = *c0z.offset(1 as isize) - * *g.offset(57 as isize) + *g.offset(65 as isize) = *c0z.offset(1 as isize) * *g.offset(57 as isize) + *b10.offset(1 as isize) * *g.offset(49 as isize); - *g - .offset( - 66 as isize, - ) = *c0z.offset(2 as isize) - * *g.offset(58 as isize) + *g.offset(66 as isize) = *c0z.offset(2 as isize) * *g.offset(58 as isize) + *b10.offset(2 as isize) * *g.offset(50 as isize); - *g - .offset( - 67 as isize, - ) = *c0z.offset(3 as isize) - * *g.offset(59 as isize) + *g.offset(67 as isize) = *c0z.offset(3 as isize) * *g.offset(59 as isize) + *b10.offset(3 as isize) * *g.offset(51 as isize); - *g - .offset( - 52 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(48 as isize); - *g - .offset( - 53 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(49 as isize); - *g - .offset( - 54 as isize, - ) = *cpz.offset(2 as isize) - * *g.offset(50 as isize); - *g - .offset( - 55 as isize, - ) = *cpz.offset(3 as isize) - * *g.offset(51 as isize); - *g - .offset( - 60 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(56 as isize) + *g.offset(52 as isize) = *cpz.offset(0 as isize) * *g.offset(48 as isize); + *g.offset(53 as isize) = *cpz.offset(1 as isize) * *g.offset(49 as isize); + *g.offset(54 as isize) = *cpz.offset(2 as isize) * *g.offset(50 as isize); + *g.offset(55 as isize) = *cpz.offset(3 as isize) * *g.offset(51 as isize); + *g.offset(60 as isize) = *cpz.offset(0 as isize) * *g.offset(56 as isize) + *b00.offset(0 as isize) * *g.offset(48 as isize); - *g - .offset( - 61 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(57 as isize) + *g.offset(61 as isize) = *cpz.offset(1 as isize) * *g.offset(57 as isize) + *b00.offset(1 as isize) * *g.offset(49 as isize); - *g - .offset( - 62 as isize, - ) = *cpz.offset(2 as isize) - * *g.offset(58 as isize) + *g.offset(62 as isize) = *cpz.offset(2 as isize) * *g.offset(58 as isize) + *b00.offset(2 as isize) * *g.offset(50 as isize); - *g - .offset( - 63 as isize, - ) = *cpz.offset(3 as isize) - * *g.offset(59 as isize) + *g.offset(63 as isize) = *cpz.offset(3 as isize) * *g.offset(59 as isize) + *b00.offset(3 as isize) * *g.offset(51 as isize); - *g - .offset( - 68 as isize, - ) = *c0z.offset(0 as isize) - * *g.offset(60 as isize) + *g.offset(68 as isize) = *c0z.offset(0 as isize) * *g.offset(60 as isize) + *b10.offset(0 as isize) * *g.offset(52 as isize) + *b00.offset(0 as isize) * *g.offset(56 as isize); - *g - .offset( - 69 as isize, - ) = *c0z.offset(1 as isize) - * *g.offset(61 as isize) + *g.offset(69 as isize) = *c0z.offset(1 as isize) * *g.offset(61 as isize) + *b10.offset(1 as isize) * *g.offset(53 as isize) + *b00.offset(1 as isize) * *g.offset(57 as isize); - *g - .offset( - 70 as isize, - ) = *c0z.offset(2 as isize) - * *g.offset(62 as isize) + *g.offset(70 as isize) = *c0z.offset(2 as isize) * *g.offset(62 as isize) + *b10.offset(2 as isize) * *g.offset(54 as isize) + *b00.offset(2 as isize) * *g.offset(58 as isize); - *g - .offset( - 71 as isize, - ) = *c0z.offset(3 as isize) - * *g.offset(63 as isize) + *g.offset(71 as isize) = *c0z.offset(3 as isize) * *g.offset(63 as isize) + *b10.offset(3 as isize) * *g.offset(55 as isize) + *b00.offset(3 as isize) * *g.offset(59 as isize); } @@ -8902,86 +4309,34 @@ unsafe extern "C" fn _srg0_2d4d_0210( *g.offset(9 as isize) = *c0x.offset(1 as isize); *g.offset(10 as isize) = *c0x.offset(2 as isize); *g.offset(11 as isize) = *c0x.offset(3 as isize); - *g - .offset( - 12 as isize, - ) = *cpx.offset(0 as isize) - * *c0x.offset(0 as isize) - + *b00.offset(0 as isize); - *g - .offset( - 13 as isize, - ) = *cpx.offset(1 as isize) - * *c0x.offset(1 as isize) - + *b00.offset(1 as isize); - *g - .offset( - 14 as isize, - ) = *cpx.offset(2 as isize) - * *c0x.offset(2 as isize) - + *b00.offset(2 as isize); - *g - .offset( - 15 as isize, - ) = *cpx.offset(3 as isize) - * *c0x.offset(3 as isize) - + *b00.offset(3 as isize); - *g - .offset( - 16 as isize, - ) = *c0x.offset(0 as isize) - * *c0x.offset(0 as isize) - + *b10.offset(0 as isize); - *g - .offset( - 17 as isize, - ) = *c0x.offset(1 as isize) - * *c0x.offset(1 as isize) - + *b10.offset(1 as isize); - *g - .offset( - 18 as isize, - ) = *c0x.offset(2 as isize) - * *c0x.offset(2 as isize) - + *b10.offset(2 as isize); - *g - .offset( - 19 as isize, - ) = *c0x.offset(3 as isize) - * *c0x.offset(3 as isize) - + *b10.offset(3 as isize); - *g - .offset( - 20 as isize, - ) = *c0x.offset(0 as isize) - * (*g.offset(12 as isize) - + *b00.offset(0 as isize)) - + *b10.offset(0 as isize) - * *cpx.offset(0 as isize); - *g - .offset( - 21 as isize, - ) = *c0x.offset(1 as isize) - * (*g.offset(13 as isize) - + *b00.offset(1 as isize)) - + *b10.offset(1 as isize) - * *cpx.offset(1 as isize); - *g - .offset( - 22 as isize, - ) = *c0x.offset(2 as isize) - * (*g.offset(14 as isize) - + *b00.offset(2 as isize)) - + *b10.offset(2 as isize) - * *cpx.offset(2 as isize); - *g - .offset( - 23 as isize, - ) = *c0x.offset(3 as isize) - * (*g.offset(15 as isize) - + *b00.offset(3 as isize)) - + *b10.offset(3 as isize) - * *cpx.offset(3 as isize); + *g.offset(12 as isize) = + *cpx.offset(0 as isize) * *c0x.offset(0 as isize) + *b00.offset(0 as isize); + *g.offset(13 as isize) = + *cpx.offset(1 as isize) * *c0x.offset(1 as isize) + *b00.offset(1 as isize); + *g.offset(14 as isize) = + *cpx.offset(2 as isize) * *c0x.offset(2 as isize) + *b00.offset(2 as isize); + *g.offset(15 as isize) = + *cpx.offset(3 as isize) * *c0x.offset(3 as isize) + *b00.offset(3 as isize); + *g.offset(16 as isize) = + *c0x.offset(0 as isize) * *c0x.offset(0 as isize) + *b10.offset(0 as isize); + *g.offset(17 as isize) = + *c0x.offset(1 as isize) * *c0x.offset(1 as isize) + *b10.offset(1 as isize); + *g.offset(18 as isize) = + *c0x.offset(2 as isize) * *c0x.offset(2 as isize) + *b10.offset(2 as isize); + *g.offset(19 as isize) = + *c0x.offset(3 as isize) * *c0x.offset(3 as isize) + *b10.offset(3 as isize); + *g.offset(20 as isize) = *c0x.offset(0 as isize) + * (*g.offset(12 as isize) + *b00.offset(0 as isize)) + + *b10.offset(0 as isize) * *cpx.offset(0 as isize); + *g.offset(21 as isize) = *c0x.offset(1 as isize) + * (*g.offset(13 as isize) + *b00.offset(1 as isize)) + + *b10.offset(1 as isize) * *cpx.offset(1 as isize); + *g.offset(22 as isize) = *c0x.offset(2 as isize) + * (*g.offset(14 as isize) + *b00.offset(2 as isize)) + + *b10.offset(2 as isize) * *cpx.offset(2 as isize); + *g.offset(23 as isize) = *c0x.offset(3 as isize) + * (*g.offset(15 as isize) + *b00.offset(3 as isize)) + + *b10.offset(3 as isize) * *cpx.offset(3 as isize); *g.offset(24 as isize) = 1 as f64; *g.offset(25 as isize) = 1 as f64; *g.offset(26 as isize) = 1 as f64; @@ -8994,200 +4349,68 @@ unsafe extern "C" fn _srg0_2d4d_0210( *g.offset(33 as isize) = *c0y.offset(1 as isize); *g.offset(34 as isize) = *c0y.offset(2 as isize); *g.offset(35 as isize) = *c0y.offset(3 as isize); - *g - .offset( - 36 as isize, - ) = *cpy.offset(0 as isize) - * *c0y.offset(0 as isize) - + *b00.offset(0 as isize); - *g - .offset( - 37 as isize, - ) = *cpy.offset(1 as isize) - * *c0y.offset(1 as isize) - + *b00.offset(1 as isize); - *g - .offset( - 38 as isize, - ) = *cpy.offset(2 as isize) - * *c0y.offset(2 as isize) - + *b00.offset(2 as isize); - *g - .offset( - 39 as isize, - ) = *cpy.offset(3 as isize) - * *c0y.offset(3 as isize) - + *b00.offset(3 as isize); - *g - .offset( - 40 as isize, - ) = *c0y.offset(0 as isize) - * *c0y.offset(0 as isize) - + *b10.offset(0 as isize); - *g - .offset( - 41 as isize, - ) = *c0y.offset(1 as isize) - * *c0y.offset(1 as isize) - + *b10.offset(1 as isize); - *g - .offset( - 42 as isize, - ) = *c0y.offset(2 as isize) - * *c0y.offset(2 as isize) - + *b10.offset(2 as isize); - *g - .offset( - 43 as isize, - ) = *c0y.offset(3 as isize) - * *c0y.offset(3 as isize) - + *b10.offset(3 as isize); - *g - .offset( - 44 as isize, - ) = *c0y.offset(0 as isize) - * (*g.offset(36 as isize) - + *b00.offset(0 as isize)) - + *b10.offset(0 as isize) - * *cpy.offset(0 as isize); - *g - .offset( - 45 as isize, - ) = *c0y.offset(1 as isize) - * (*g.offset(37 as isize) - + *b00.offset(1 as isize)) - + *b10.offset(1 as isize) - * *cpy.offset(1 as isize); - *g - .offset( - 46 as isize, - ) = *c0y.offset(2 as isize) - * (*g.offset(38 as isize) - + *b00.offset(2 as isize)) - + *b10.offset(2 as isize) - * *cpy.offset(2 as isize); - *g - .offset( - 47 as isize, - ) = *c0y.offset(3 as isize) - * (*g.offset(39 as isize) - + *b00.offset(3 as isize)) - + *b10.offset(3 as isize) - * *cpy.offset(3 as isize); - *g - .offset( - 52 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(48 as isize); - *g - .offset( - 53 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(49 as isize); - *g - .offset( - 54 as isize, - ) = *cpz.offset(2 as isize) - * *g.offset(50 as isize); - *g - .offset( - 55 as isize, - ) = *cpz.offset(3 as isize) - * *g.offset(51 as isize); - *g - .offset( - 56 as isize, - ) = *c0z.offset(0 as isize) - * *g.offset(48 as isize); - *g - .offset( - 57 as isize, - ) = *c0z.offset(1 as isize) - * *g.offset(49 as isize); - *g - .offset( - 58 as isize, - ) = *c0z.offset(2 as isize) - * *g.offset(50 as isize); - *g - .offset( - 59 as isize, - ) = *c0z.offset(3 as isize) - * *g.offset(51 as isize); - *g - .offset( - 60 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(56 as isize) + *g.offset(36 as isize) = + *cpy.offset(0 as isize) * *c0y.offset(0 as isize) + *b00.offset(0 as isize); + *g.offset(37 as isize) = + *cpy.offset(1 as isize) * *c0y.offset(1 as isize) + *b00.offset(1 as isize); + *g.offset(38 as isize) = + *cpy.offset(2 as isize) * *c0y.offset(2 as isize) + *b00.offset(2 as isize); + *g.offset(39 as isize) = + *cpy.offset(3 as isize) * *c0y.offset(3 as isize) + *b00.offset(3 as isize); + *g.offset(40 as isize) = + *c0y.offset(0 as isize) * *c0y.offset(0 as isize) + *b10.offset(0 as isize); + *g.offset(41 as isize) = + *c0y.offset(1 as isize) * *c0y.offset(1 as isize) + *b10.offset(1 as isize); + *g.offset(42 as isize) = + *c0y.offset(2 as isize) * *c0y.offset(2 as isize) + *b10.offset(2 as isize); + *g.offset(43 as isize) = + *c0y.offset(3 as isize) * *c0y.offset(3 as isize) + *b10.offset(3 as isize); + *g.offset(44 as isize) = *c0y.offset(0 as isize) + * (*g.offset(36 as isize) + *b00.offset(0 as isize)) + + *b10.offset(0 as isize) * *cpy.offset(0 as isize); + *g.offset(45 as isize) = *c0y.offset(1 as isize) + * (*g.offset(37 as isize) + *b00.offset(1 as isize)) + + *b10.offset(1 as isize) * *cpy.offset(1 as isize); + *g.offset(46 as isize) = *c0y.offset(2 as isize) + * (*g.offset(38 as isize) + *b00.offset(2 as isize)) + + *b10.offset(2 as isize) * *cpy.offset(2 as isize); + *g.offset(47 as isize) = *c0y.offset(3 as isize) + * (*g.offset(39 as isize) + *b00.offset(3 as isize)) + + *b10.offset(3 as isize) * *cpy.offset(3 as isize); + *g.offset(52 as isize) = *cpz.offset(0 as isize) * *g.offset(48 as isize); + *g.offset(53 as isize) = *cpz.offset(1 as isize) * *g.offset(49 as isize); + *g.offset(54 as isize) = *cpz.offset(2 as isize) * *g.offset(50 as isize); + *g.offset(55 as isize) = *cpz.offset(3 as isize) * *g.offset(51 as isize); + *g.offset(56 as isize) = *c0z.offset(0 as isize) * *g.offset(48 as isize); + *g.offset(57 as isize) = *c0z.offset(1 as isize) * *g.offset(49 as isize); + *g.offset(58 as isize) = *c0z.offset(2 as isize) * *g.offset(50 as isize); + *g.offset(59 as isize) = *c0z.offset(3 as isize) * *g.offset(51 as isize); + *g.offset(60 as isize) = *cpz.offset(0 as isize) * *g.offset(56 as isize) + *b00.offset(0 as isize) * *g.offset(48 as isize); - *g - .offset( - 61 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(57 as isize) + *g.offset(61 as isize) = *cpz.offset(1 as isize) * *g.offset(57 as isize) + *b00.offset(1 as isize) * *g.offset(49 as isize); - *g - .offset( - 62 as isize, - ) = *cpz.offset(2 as isize) - * *g.offset(58 as isize) + *g.offset(62 as isize) = *cpz.offset(2 as isize) * *g.offset(58 as isize) + *b00.offset(2 as isize) * *g.offset(50 as isize); - *g - .offset( - 63 as isize, - ) = *cpz.offset(3 as isize) - * *g.offset(59 as isize) + *g.offset(63 as isize) = *cpz.offset(3 as isize) * *g.offset(59 as isize) + *b00.offset(3 as isize) * *g.offset(51 as isize); - *g - .offset( - 64 as isize, - ) = *c0z.offset(0 as isize) - * *g.offset(56 as isize) + *g.offset(64 as isize) = *c0z.offset(0 as isize) * *g.offset(56 as isize) + *b10.offset(0 as isize) * *g.offset(48 as isize); - *g - .offset( - 65 as isize, - ) = *c0z.offset(1 as isize) - * *g.offset(57 as isize) + *g.offset(65 as isize) = *c0z.offset(1 as isize) * *g.offset(57 as isize) + *b10.offset(1 as isize) * *g.offset(49 as isize); - *g - .offset( - 66 as isize, - ) = *c0z.offset(2 as isize) - * *g.offset(58 as isize) + *g.offset(66 as isize) = *c0z.offset(2 as isize) * *g.offset(58 as isize) + *b10.offset(2 as isize) * *g.offset(50 as isize); - *g - .offset( - 67 as isize, - ) = *c0z.offset(3 as isize) - * *g.offset(59 as isize) + *g.offset(67 as isize) = *c0z.offset(3 as isize) * *g.offset(59 as isize) + *b10.offset(3 as isize) * *g.offset(51 as isize); - *g - .offset( - 68 as isize, - ) = *c0z.offset(0 as isize) - * *g.offset(60 as isize) + *g.offset(68 as isize) = *c0z.offset(0 as isize) * *g.offset(60 as isize) + *b10.offset(0 as isize) * *g.offset(52 as isize) + *b00.offset(0 as isize) * *g.offset(56 as isize); - *g - .offset( - 69 as isize, - ) = *c0z.offset(1 as isize) - * *g.offset(61 as isize) + *g.offset(69 as isize) = *c0z.offset(1 as isize) * *g.offset(61 as isize) + *b10.offset(1 as isize) * *g.offset(53 as isize) + *b00.offset(1 as isize) * *g.offset(57 as isize); - *g - .offset( - 70 as isize, - ) = *c0z.offset(2 as isize) - * *g.offset(62 as isize) + *g.offset(70 as isize) = *c0z.offset(2 as isize) * *g.offset(62 as isize) + *b10.offset(2 as isize) * *g.offset(54 as isize) + *b00.offset(2 as isize) * *g.offset(58 as isize); - *g - .offset( - 71 as isize, - ) = *c0z.offset(3 as isize) - * *g.offset(63 as isize) + *g.offset(71 as isize) = *c0z.offset(3 as isize) * *g.offset(63 as isize) + *b10.offset(3 as isize) * *g.offset(55 as isize) + *b00.offset(3 as isize) * *g.offset(59 as isize); } @@ -9209,58 +4432,22 @@ unsafe extern "C" fn _srg0_2d4d_0300( *g.offset(5 as isize) = *c0x.offset(1 as isize); *g.offset(6 as isize) = *c0x.offset(2 as isize); *g.offset(7 as isize) = *c0x.offset(3 as isize); - *g - .offset( - 8 as isize, - ) = *c0x.offset(0 as isize) - * *c0x.offset(0 as isize) - + *b10.offset(0 as isize); - *g - .offset( - 9 as isize, - ) = *c0x.offset(1 as isize) - * *c0x.offset(1 as isize) - + *b10.offset(1 as isize); - *g - .offset( - 10 as isize, - ) = *c0x.offset(2 as isize) - * *c0x.offset(2 as isize) - + *b10.offset(2 as isize); - *g - .offset( - 11 as isize, - ) = *c0x.offset(3 as isize) - * *c0x.offset(3 as isize) - + *b10.offset(3 as isize); - *g - .offset( - 12 as isize, - ) = *c0x.offset(0 as isize) - * (*g.offset(8 as isize) - + 2 as f64 - * *b10.offset(0 as isize)); - *g - .offset( - 13 as isize, - ) = *c0x.offset(1 as isize) - * (*g.offset(9 as isize) - + 2 as f64 - * *b10.offset(1 as isize)); - *g - .offset( - 14 as isize, - ) = *c0x.offset(2 as isize) - * (*g.offset(10 as isize) - + 2 as f64 - * *b10.offset(2 as isize)); - *g - .offset( - 15 as isize, - ) = *c0x.offset(3 as isize) - * (*g.offset(11 as isize) - + 2 as f64 - * *b10.offset(3 as isize)); + *g.offset(8 as isize) = + *c0x.offset(0 as isize) * *c0x.offset(0 as isize) + *b10.offset(0 as isize); + *g.offset(9 as isize) = + *c0x.offset(1 as isize) * *c0x.offset(1 as isize) + *b10.offset(1 as isize); + *g.offset(10 as isize) = + *c0x.offset(2 as isize) * *c0x.offset(2 as isize) + *b10.offset(2 as isize); + *g.offset(11 as isize) = + *c0x.offset(3 as isize) * *c0x.offset(3 as isize) + *b10.offset(3 as isize); + *g.offset(12 as isize) = + *c0x.offset(0 as isize) * (*g.offset(8 as isize) + 2 as f64 * *b10.offset(0 as isize)); + *g.offset(13 as isize) = + *c0x.offset(1 as isize) * (*g.offset(9 as isize) + 2 as f64 * *b10.offset(1 as isize)); + *g.offset(14 as isize) = + *c0x.offset(2 as isize) * (*g.offset(10 as isize) + 2 as f64 * *b10.offset(2 as isize)); + *g.offset(15 as isize) = + *c0x.offset(3 as isize) * (*g.offset(11 as isize) + 2 as f64 * *b10.offset(3 as isize)); *g.offset(16 as isize) = 1 as f64; *g.offset(17 as isize) = 1 as f64; *g.offset(18 as isize) = 1 as f64; @@ -9269,130 +4456,42 @@ unsafe extern "C" fn _srg0_2d4d_0300( *g.offset(21 as isize) = *c0y.offset(1 as isize); *g.offset(22 as isize) = *c0y.offset(2 as isize); *g.offset(23 as isize) = *c0y.offset(3 as isize); - *g - .offset( - 24 as isize, - ) = *c0y.offset(0 as isize) - * *c0y.offset(0 as isize) - + *b10.offset(0 as isize); - *g - .offset( - 25 as isize, - ) = *c0y.offset(1 as isize) - * *c0y.offset(1 as isize) - + *b10.offset(1 as isize); - *g - .offset( - 26 as isize, - ) = *c0y.offset(2 as isize) - * *c0y.offset(2 as isize) - + *b10.offset(2 as isize); - *g - .offset( - 27 as isize, - ) = *c0y.offset(3 as isize) - * *c0y.offset(3 as isize) - + *b10.offset(3 as isize); - *g - .offset( - 28 as isize, - ) = *c0y.offset(0 as isize) - * (*g.offset(24 as isize) - + 2 as f64 - * *b10.offset(0 as isize)); - *g - .offset( - 29 as isize, - ) = *c0y.offset(1 as isize) - * (*g.offset(25 as isize) - + 2 as f64 - * *b10.offset(1 as isize)); - *g - .offset( - 30 as isize, - ) = *c0y.offset(2 as isize) - * (*g.offset(26 as isize) - + 2 as f64 - * *b10.offset(2 as isize)); - *g - .offset( - 31 as isize, - ) = *c0y.offset(3 as isize) - * (*g.offset(27 as isize) - + 2 as f64 - * *b10.offset(3 as isize)); - *g - .offset( - 36 as isize, - ) = *c0z.offset(0 as isize) - * *g.offset(32 as isize); - *g - .offset( - 37 as isize, - ) = *c0z.offset(1 as isize) - * *g.offset(33 as isize); - *g - .offset( - 38 as isize, - ) = *c0z.offset(2 as isize) - * *g.offset(34 as isize); - *g - .offset( - 39 as isize, - ) = *c0z.offset(3 as isize) - * *g.offset(35 as isize); - *g - .offset( - 40 as isize, - ) = *c0z.offset(0 as isize) - * *g.offset(36 as isize) + *g.offset(24 as isize) = + *c0y.offset(0 as isize) * *c0y.offset(0 as isize) + *b10.offset(0 as isize); + *g.offset(25 as isize) = + *c0y.offset(1 as isize) * *c0y.offset(1 as isize) + *b10.offset(1 as isize); + *g.offset(26 as isize) = + *c0y.offset(2 as isize) * *c0y.offset(2 as isize) + *b10.offset(2 as isize); + *g.offset(27 as isize) = + *c0y.offset(3 as isize) * *c0y.offset(3 as isize) + *b10.offset(3 as isize); + *g.offset(28 as isize) = + *c0y.offset(0 as isize) * (*g.offset(24 as isize) + 2 as f64 * *b10.offset(0 as isize)); + *g.offset(29 as isize) = + *c0y.offset(1 as isize) * (*g.offset(25 as isize) + 2 as f64 * *b10.offset(1 as isize)); + *g.offset(30 as isize) = + *c0y.offset(2 as isize) * (*g.offset(26 as isize) + 2 as f64 * *b10.offset(2 as isize)); + *g.offset(31 as isize) = + *c0y.offset(3 as isize) * (*g.offset(27 as isize) + 2 as f64 * *b10.offset(3 as isize)); + *g.offset(36 as isize) = *c0z.offset(0 as isize) * *g.offset(32 as isize); + *g.offset(37 as isize) = *c0z.offset(1 as isize) * *g.offset(33 as isize); + *g.offset(38 as isize) = *c0z.offset(2 as isize) * *g.offset(34 as isize); + *g.offset(39 as isize) = *c0z.offset(3 as isize) * *g.offset(35 as isize); + *g.offset(40 as isize) = *c0z.offset(0 as isize) * *g.offset(36 as isize) + *b10.offset(0 as isize) * *g.offset(32 as isize); - *g - .offset( - 41 as isize, - ) = *c0z.offset(1 as isize) - * *g.offset(37 as isize) + *g.offset(41 as isize) = *c0z.offset(1 as isize) * *g.offset(37 as isize) + *b10.offset(1 as isize) * *g.offset(33 as isize); - *g - .offset( - 42 as isize, - ) = *c0z.offset(2 as isize) - * *g.offset(38 as isize) + *g.offset(42 as isize) = *c0z.offset(2 as isize) * *g.offset(38 as isize) + *b10.offset(2 as isize) * *g.offset(34 as isize); - *g - .offset( - 43 as isize, - ) = *c0z.offset(3 as isize) - * *g.offset(39 as isize) + *g.offset(43 as isize) = *c0z.offset(3 as isize) * *g.offset(39 as isize) + *b10.offset(3 as isize) * *g.offset(35 as isize); - *g - .offset( - 44 as isize, - ) = *c0z.offset(0 as isize) - * *g.offset(40 as isize) - + 2 as f64 * *b10.offset(0 as isize) - * *g.offset(36 as isize); - *g - .offset( - 45 as isize, - ) = *c0z.offset(1 as isize) - * *g.offset(41 as isize) - + 2 as f64 * *b10.offset(1 as isize) - * *g.offset(37 as isize); - *g - .offset( - 46 as isize, - ) = *c0z.offset(2 as isize) - * *g.offset(42 as isize) - + 2 as f64 * *b10.offset(2 as isize) - * *g.offset(38 as isize); - *g - .offset( - 47 as isize, - ) = *c0z.offset(3 as isize) - * *g.offset(43 as isize) - + 2 as f64 * *b10.offset(3 as isize) - * *g.offset(39 as isize); + *g.offset(44 as isize) = *c0z.offset(0 as isize) * *g.offset(40 as isize) + + 2 as f64 * *b10.offset(0 as isize) * *g.offset(36 as isize); + *g.offset(45 as isize) = *c0z.offset(1 as isize) * *g.offset(41 as isize) + + 2 as f64 * *b10.offset(1 as isize) * *g.offset(37 as isize); + *g.offset(46 as isize) = *c0z.offset(2 as isize) * *g.offset(42 as isize) + + 2 as f64 * *b10.offset(2 as isize) * *g.offset(38 as isize); + *g.offset(47 as isize) = *c0z.offset(3 as isize) * *g.offset(43 as isize) + + 2 as f64 * *b10.offset(3 as isize) * *g.offset(39 as isize); } #[inline] unsafe extern "C" fn _srg0_2d4d_1000( @@ -9411,16 +4510,8 @@ unsafe extern "C" fn _srg0_2d4d_1000( *g.offset(5 as isize) = 1 as f64; *g.offset(6 as isize) = *c0y.offset(0 as isize); *g.offset(7 as isize) = *c0y.offset(1 as isize); - *g - .offset( - 10 as isize, - ) = *c0z.offset(0 as isize) - * *g.offset(8 as isize); - *g - .offset( - 11 as isize, - ) = *c0z.offset(1 as isize) - * *g.offset(9 as isize); + *g.offset(10 as isize) = *c0z.offset(0 as isize) * *g.offset(8 as isize); + *g.offset(11 as isize) = *c0z.offset(1 as isize) * *g.offset(9 as isize); } #[inline] unsafe extern "C" fn _srg0_2d4d_1001( @@ -9447,30 +4538,14 @@ unsafe extern "C" fn _srg0_2d4d_1001( *g.offset(9 as isize) = *cpx.offset(1 as isize); *g.offset(10 as isize) = *cpx.offset(2 as isize); *g.offset(11 as isize) = *cpx.offset(3 as isize); - *g - .offset( - 12 as isize, - ) = *cpx.offset(0 as isize) - * *c0x.offset(0 as isize) - + *b00.offset(0 as isize); - *g - .offset( - 13 as isize, - ) = *cpx.offset(1 as isize) - * *c0x.offset(1 as isize) - + *b00.offset(1 as isize); - *g - .offset( - 14 as isize, - ) = *cpx.offset(2 as isize) - * *c0x.offset(2 as isize) - + *b00.offset(2 as isize); - *g - .offset( - 15 as isize, - ) = *cpx.offset(3 as isize) - * *c0x.offset(3 as isize) - + *b00.offset(3 as isize); + *g.offset(12 as isize) = + *cpx.offset(0 as isize) * *c0x.offset(0 as isize) + *b00.offset(0 as isize); + *g.offset(13 as isize) = + *cpx.offset(1 as isize) * *c0x.offset(1 as isize) + *b00.offset(1 as isize); + *g.offset(14 as isize) = + *cpx.offset(2 as isize) * *c0x.offset(2 as isize) + *b00.offset(2 as isize); + *g.offset(15 as isize) = + *cpx.offset(3 as isize) * *c0x.offset(3 as isize) + *b00.offset(3 as isize); *g.offset(16 as isize) = 1 as f64; *g.offset(17 as isize) = 1 as f64; *g.offset(18 as isize) = 1 as f64; @@ -9483,93 +4558,29 @@ unsafe extern "C" fn _srg0_2d4d_1001( *g.offset(25 as isize) = *cpy.offset(1 as isize); *g.offset(26 as isize) = *cpy.offset(2 as isize); *g.offset(27 as isize) = *cpy.offset(3 as isize); - *g - .offset( - 28 as isize, - ) = *cpy.offset(0 as isize) - * *c0y.offset(0 as isize) - + *b00.offset(0 as isize); - *g - .offset( - 29 as isize, - ) = *cpy.offset(1 as isize) - * *c0y.offset(1 as isize) - + *b00.offset(1 as isize); - *g - .offset( - 30 as isize, - ) = *cpy.offset(2 as isize) - * *c0y.offset(2 as isize) - + *b00.offset(2 as isize); - *g - .offset( - 31 as isize, - ) = *cpy.offset(3 as isize) - * *c0y.offset(3 as isize) - + *b00.offset(3 as isize); - *g - .offset( - 36 as isize, - ) = *c0z.offset(0 as isize) - * *g.offset(32 as isize); - *g - .offset( - 37 as isize, - ) = *c0z.offset(1 as isize) - * *g.offset(33 as isize); - *g - .offset( - 38 as isize, - ) = *c0z.offset(2 as isize) - * *g.offset(34 as isize); - *g - .offset( - 39 as isize, - ) = *c0z.offset(3 as isize) - * *g.offset(35 as isize); - *g - .offset( - 40 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(32 as isize); - *g - .offset( - 41 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(33 as isize); - *g - .offset( - 42 as isize, - ) = *cpz.offset(2 as isize) - * *g.offset(34 as isize); - *g - .offset( - 43 as isize, - ) = *cpz.offset(3 as isize) - * *g.offset(35 as isize); - *g - .offset( - 44 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(36 as isize) + *g.offset(28 as isize) = + *cpy.offset(0 as isize) * *c0y.offset(0 as isize) + *b00.offset(0 as isize); + *g.offset(29 as isize) = + *cpy.offset(1 as isize) * *c0y.offset(1 as isize) + *b00.offset(1 as isize); + *g.offset(30 as isize) = + *cpy.offset(2 as isize) * *c0y.offset(2 as isize) + *b00.offset(2 as isize); + *g.offset(31 as isize) = + *cpy.offset(3 as isize) * *c0y.offset(3 as isize) + *b00.offset(3 as isize); + *g.offset(36 as isize) = *c0z.offset(0 as isize) * *g.offset(32 as isize); + *g.offset(37 as isize) = *c0z.offset(1 as isize) * *g.offset(33 as isize); + *g.offset(38 as isize) = *c0z.offset(2 as isize) * *g.offset(34 as isize); + *g.offset(39 as isize) = *c0z.offset(3 as isize) * *g.offset(35 as isize); + *g.offset(40 as isize) = *cpz.offset(0 as isize) * *g.offset(32 as isize); + *g.offset(41 as isize) = *cpz.offset(1 as isize) * *g.offset(33 as isize); + *g.offset(42 as isize) = *cpz.offset(2 as isize) * *g.offset(34 as isize); + *g.offset(43 as isize) = *cpz.offset(3 as isize) * *g.offset(35 as isize); + *g.offset(44 as isize) = *cpz.offset(0 as isize) * *g.offset(36 as isize) + *b00.offset(0 as isize) * *g.offset(32 as isize); - *g - .offset( - 45 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(37 as isize) + *g.offset(45 as isize) = *cpz.offset(1 as isize) * *g.offset(37 as isize) + *b00.offset(1 as isize) * *g.offset(33 as isize); - *g - .offset( - 46 as isize, - ) = *cpz.offset(2 as isize) - * *g.offset(38 as isize) + *g.offset(46 as isize) = *cpz.offset(2 as isize) * *g.offset(38 as isize) + *b00.offset(2 as isize) * *g.offset(34 as isize); - *g - .offset( - 47 as isize, - ) = *cpz.offset(3 as isize) - * *g.offset(39 as isize) + *g.offset(47 as isize) = *cpz.offset(3 as isize) * *g.offset(39 as isize) + *b00.offset(3 as isize) * *g.offset(35 as isize); } #[inline] @@ -9598,86 +4609,34 @@ unsafe extern "C" fn _srg0_2d4d_1002( *g.offset(9 as isize) = *cpx.offset(1 as isize); *g.offset(10 as isize) = *cpx.offset(2 as isize); *g.offset(11 as isize) = *cpx.offset(3 as isize); - *g - .offset( - 12 as isize, - ) = *cpx.offset(0 as isize) - * *c0x.offset(0 as isize) - + *b00.offset(0 as isize); - *g - .offset( - 13 as isize, - ) = *cpx.offset(1 as isize) - * *c0x.offset(1 as isize) - + *b00.offset(1 as isize); - *g - .offset( - 14 as isize, - ) = *cpx.offset(2 as isize) - * *c0x.offset(2 as isize) - + *b00.offset(2 as isize); - *g - .offset( - 15 as isize, - ) = *cpx.offset(3 as isize) - * *c0x.offset(3 as isize) - + *b00.offset(3 as isize); - *g - .offset( - 16 as isize, - ) = *cpx.offset(0 as isize) - * *cpx.offset(0 as isize) - + *b01.offset(0 as isize); - *g - .offset( - 17 as isize, - ) = *cpx.offset(1 as isize) - * *cpx.offset(1 as isize) - + *b01.offset(1 as isize); - *g - .offset( - 18 as isize, - ) = *cpx.offset(2 as isize) - * *cpx.offset(2 as isize) - + *b01.offset(2 as isize); - *g - .offset( - 19 as isize, - ) = *cpx.offset(3 as isize) - * *cpx.offset(3 as isize) - + *b01.offset(3 as isize); - *g - .offset( - 20 as isize, - ) = *cpx.offset(0 as isize) - * (*g.offset(12 as isize) - + *b00.offset(0 as isize)) - + *b01.offset(0 as isize) - * *c0x.offset(0 as isize); - *g - .offset( - 21 as isize, - ) = *cpx.offset(1 as isize) - * (*g.offset(13 as isize) - + *b00.offset(1 as isize)) - + *b01.offset(1 as isize) - * *c0x.offset(1 as isize); - *g - .offset( - 22 as isize, - ) = *cpx.offset(2 as isize) - * (*g.offset(14 as isize) - + *b00.offset(2 as isize)) - + *b01.offset(2 as isize) - * *c0x.offset(2 as isize); - *g - .offset( - 23 as isize, - ) = *cpx.offset(3 as isize) - * (*g.offset(15 as isize) - + *b00.offset(3 as isize)) - + *b01.offset(3 as isize) - * *c0x.offset(3 as isize); + *g.offset(12 as isize) = + *cpx.offset(0 as isize) * *c0x.offset(0 as isize) + *b00.offset(0 as isize); + *g.offset(13 as isize) = + *cpx.offset(1 as isize) * *c0x.offset(1 as isize) + *b00.offset(1 as isize); + *g.offset(14 as isize) = + *cpx.offset(2 as isize) * *c0x.offset(2 as isize) + *b00.offset(2 as isize); + *g.offset(15 as isize) = + *cpx.offset(3 as isize) * *c0x.offset(3 as isize) + *b00.offset(3 as isize); + *g.offset(16 as isize) = + *cpx.offset(0 as isize) * *cpx.offset(0 as isize) + *b01.offset(0 as isize); + *g.offset(17 as isize) = + *cpx.offset(1 as isize) * *cpx.offset(1 as isize) + *b01.offset(1 as isize); + *g.offset(18 as isize) = + *cpx.offset(2 as isize) * *cpx.offset(2 as isize) + *b01.offset(2 as isize); + *g.offset(19 as isize) = + *cpx.offset(3 as isize) * *cpx.offset(3 as isize) + *b01.offset(3 as isize); + *g.offset(20 as isize) = *cpx.offset(0 as isize) + * (*g.offset(12 as isize) + *b00.offset(0 as isize)) + + *b01.offset(0 as isize) * *c0x.offset(0 as isize); + *g.offset(21 as isize) = *cpx.offset(1 as isize) + * (*g.offset(13 as isize) + *b00.offset(1 as isize)) + + *b01.offset(1 as isize) * *c0x.offset(1 as isize); + *g.offset(22 as isize) = *cpx.offset(2 as isize) + * (*g.offset(14 as isize) + *b00.offset(2 as isize)) + + *b01.offset(2 as isize) * *c0x.offset(2 as isize); + *g.offset(23 as isize) = *cpx.offset(3 as isize) + * (*g.offset(15 as isize) + *b00.offset(3 as isize)) + + *b01.offset(3 as isize) * *c0x.offset(3 as isize); *g.offset(24 as isize) = 1 as f64; *g.offset(25 as isize) = 1 as f64; *g.offset(26 as isize) = 1 as f64; @@ -9690,200 +4649,68 @@ unsafe extern "C" fn _srg0_2d4d_1002( *g.offset(33 as isize) = *cpy.offset(1 as isize); *g.offset(34 as isize) = *cpy.offset(2 as isize); *g.offset(35 as isize) = *cpy.offset(3 as isize); - *g - .offset( - 36 as isize, - ) = *cpy.offset(0 as isize) - * *c0y.offset(0 as isize) - + *b00.offset(0 as isize); - *g - .offset( - 37 as isize, - ) = *cpy.offset(1 as isize) - * *c0y.offset(1 as isize) - + *b00.offset(1 as isize); - *g - .offset( - 38 as isize, - ) = *cpy.offset(2 as isize) - * *c0y.offset(2 as isize) - + *b00.offset(2 as isize); - *g - .offset( - 39 as isize, - ) = *cpy.offset(3 as isize) - * *c0y.offset(3 as isize) - + *b00.offset(3 as isize); - *g - .offset( - 40 as isize, - ) = *cpy.offset(0 as isize) - * *cpy.offset(0 as isize) - + *b01.offset(0 as isize); - *g - .offset( - 41 as isize, - ) = *cpy.offset(1 as isize) - * *cpy.offset(1 as isize) - + *b01.offset(1 as isize); - *g - .offset( - 42 as isize, - ) = *cpy.offset(2 as isize) - * *cpy.offset(2 as isize) - + *b01.offset(2 as isize); - *g - .offset( - 43 as isize, - ) = *cpy.offset(3 as isize) - * *cpy.offset(3 as isize) - + *b01.offset(3 as isize); - *g - .offset( - 44 as isize, - ) = *cpy.offset(0 as isize) - * (*g.offset(36 as isize) - + *b00.offset(0 as isize)) - + *b01.offset(0 as isize) - * *c0y.offset(0 as isize); - *g - .offset( - 45 as isize, - ) = *cpy.offset(1 as isize) - * (*g.offset(37 as isize) - + *b00.offset(1 as isize)) - + *b01.offset(1 as isize) - * *c0y.offset(1 as isize); - *g - .offset( - 46 as isize, - ) = *cpy.offset(2 as isize) - * (*g.offset(38 as isize) - + *b00.offset(2 as isize)) - + *b01.offset(2 as isize) - * *c0y.offset(2 as isize); - *g - .offset( - 47 as isize, - ) = *cpy.offset(3 as isize) - * (*g.offset(39 as isize) - + *b00.offset(3 as isize)) - + *b01.offset(3 as isize) - * *c0y.offset(3 as isize); - *g - .offset( - 52 as isize, - ) = *c0z.offset(0 as isize) - * *g.offset(48 as isize); - *g - .offset( - 53 as isize, - ) = *c0z.offset(1 as isize) - * *g.offset(49 as isize); - *g - .offset( - 54 as isize, - ) = *c0z.offset(2 as isize) - * *g.offset(50 as isize); - *g - .offset( - 55 as isize, - ) = *c0z.offset(3 as isize) - * *g.offset(51 as isize); - *g - .offset( - 56 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(48 as isize); - *g - .offset( - 57 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(49 as isize); - *g - .offset( - 58 as isize, - ) = *cpz.offset(2 as isize) - * *g.offset(50 as isize); - *g - .offset( - 59 as isize, - ) = *cpz.offset(3 as isize) - * *g.offset(51 as isize); - *g - .offset( - 60 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(52 as isize) + *g.offset(36 as isize) = + *cpy.offset(0 as isize) * *c0y.offset(0 as isize) + *b00.offset(0 as isize); + *g.offset(37 as isize) = + *cpy.offset(1 as isize) * *c0y.offset(1 as isize) + *b00.offset(1 as isize); + *g.offset(38 as isize) = + *cpy.offset(2 as isize) * *c0y.offset(2 as isize) + *b00.offset(2 as isize); + *g.offset(39 as isize) = + *cpy.offset(3 as isize) * *c0y.offset(3 as isize) + *b00.offset(3 as isize); + *g.offset(40 as isize) = + *cpy.offset(0 as isize) * *cpy.offset(0 as isize) + *b01.offset(0 as isize); + *g.offset(41 as isize) = + *cpy.offset(1 as isize) * *cpy.offset(1 as isize) + *b01.offset(1 as isize); + *g.offset(42 as isize) = + *cpy.offset(2 as isize) * *cpy.offset(2 as isize) + *b01.offset(2 as isize); + *g.offset(43 as isize) = + *cpy.offset(3 as isize) * *cpy.offset(3 as isize) + *b01.offset(3 as isize); + *g.offset(44 as isize) = *cpy.offset(0 as isize) + * (*g.offset(36 as isize) + *b00.offset(0 as isize)) + + *b01.offset(0 as isize) * *c0y.offset(0 as isize); + *g.offset(45 as isize) = *cpy.offset(1 as isize) + * (*g.offset(37 as isize) + *b00.offset(1 as isize)) + + *b01.offset(1 as isize) * *c0y.offset(1 as isize); + *g.offset(46 as isize) = *cpy.offset(2 as isize) + * (*g.offset(38 as isize) + *b00.offset(2 as isize)) + + *b01.offset(2 as isize) * *c0y.offset(2 as isize); + *g.offset(47 as isize) = *cpy.offset(3 as isize) + * (*g.offset(39 as isize) + *b00.offset(3 as isize)) + + *b01.offset(3 as isize) * *c0y.offset(3 as isize); + *g.offset(52 as isize) = *c0z.offset(0 as isize) * *g.offset(48 as isize); + *g.offset(53 as isize) = *c0z.offset(1 as isize) * *g.offset(49 as isize); + *g.offset(54 as isize) = *c0z.offset(2 as isize) * *g.offset(50 as isize); + *g.offset(55 as isize) = *c0z.offset(3 as isize) * *g.offset(51 as isize); + *g.offset(56 as isize) = *cpz.offset(0 as isize) * *g.offset(48 as isize); + *g.offset(57 as isize) = *cpz.offset(1 as isize) * *g.offset(49 as isize); + *g.offset(58 as isize) = *cpz.offset(2 as isize) * *g.offset(50 as isize); + *g.offset(59 as isize) = *cpz.offset(3 as isize) * *g.offset(51 as isize); + *g.offset(60 as isize) = *cpz.offset(0 as isize) * *g.offset(52 as isize) + *b00.offset(0 as isize) * *g.offset(48 as isize); - *g - .offset( - 61 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(53 as isize) + *g.offset(61 as isize) = *cpz.offset(1 as isize) * *g.offset(53 as isize) + *b00.offset(1 as isize) * *g.offset(49 as isize); - *g - .offset( - 62 as isize, - ) = *cpz.offset(2 as isize) - * *g.offset(54 as isize) + *g.offset(62 as isize) = *cpz.offset(2 as isize) * *g.offset(54 as isize) + *b00.offset(2 as isize) * *g.offset(50 as isize); - *g - .offset( - 63 as isize, - ) = *cpz.offset(3 as isize) - * *g.offset(55 as isize) + *g.offset(63 as isize) = *cpz.offset(3 as isize) * *g.offset(55 as isize) + *b00.offset(3 as isize) * *g.offset(51 as isize); - *g - .offset( - 64 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(56 as isize) + *g.offset(64 as isize) = *cpz.offset(0 as isize) * *g.offset(56 as isize) + *b01.offset(0 as isize) * *g.offset(48 as isize); - *g - .offset( - 65 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(57 as isize) + *g.offset(65 as isize) = *cpz.offset(1 as isize) * *g.offset(57 as isize) + *b01.offset(1 as isize) * *g.offset(49 as isize); - *g - .offset( - 66 as isize, - ) = *cpz.offset(2 as isize) - * *g.offset(58 as isize) + *g.offset(66 as isize) = *cpz.offset(2 as isize) * *g.offset(58 as isize) + *b01.offset(2 as isize) * *g.offset(50 as isize); - *g - .offset( - 67 as isize, - ) = *cpz.offset(3 as isize) - * *g.offset(59 as isize) + *g.offset(67 as isize) = *cpz.offset(3 as isize) * *g.offset(59 as isize) + *b01.offset(3 as isize) * *g.offset(51 as isize); - *g - .offset( - 68 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(60 as isize) + *g.offset(68 as isize) = *cpz.offset(0 as isize) * *g.offset(60 as isize) + *b01.offset(0 as isize) * *g.offset(52 as isize) + *b00.offset(0 as isize) * *g.offset(56 as isize); - *g - .offset( - 69 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(61 as isize) + *g.offset(69 as isize) = *cpz.offset(1 as isize) * *g.offset(61 as isize) + *b01.offset(1 as isize) * *g.offset(53 as isize) + *b00.offset(1 as isize) * *g.offset(57 as isize); - *g - .offset( - 70 as isize, - ) = *cpz.offset(2 as isize) - * *g.offset(62 as isize) + *g.offset(70 as isize) = *cpz.offset(2 as isize) * *g.offset(62 as isize) + *b01.offset(2 as isize) * *g.offset(54 as isize) + *b00.offset(2 as isize) * *g.offset(58 as isize); - *g - .offset( - 71 as isize, - ) = *cpz.offset(3 as isize) - * *g.offset(63 as isize) + *g.offset(71 as isize) = *cpz.offset(3 as isize) * *g.offset(63 as isize) + *b01.offset(3 as isize) * *g.offset(55 as isize) + *b00.offset(3 as isize) * *g.offset(59 as isize); } @@ -9912,30 +4739,14 @@ unsafe extern "C" fn _srg0_2d4d_1010( *g.offset(9 as isize) = *cpx.offset(1 as isize); *g.offset(10 as isize) = *cpx.offset(2 as isize); *g.offset(11 as isize) = *cpx.offset(3 as isize); - *g - .offset( - 12 as isize, - ) = *cpx.offset(0 as isize) - * *c0x.offset(0 as isize) - + *b00.offset(0 as isize); - *g - .offset( - 13 as isize, - ) = *cpx.offset(1 as isize) - * *c0x.offset(1 as isize) - + *b00.offset(1 as isize); - *g - .offset( - 14 as isize, - ) = *cpx.offset(2 as isize) - * *c0x.offset(2 as isize) - + *b00.offset(2 as isize); - *g - .offset( - 15 as isize, - ) = *cpx.offset(3 as isize) - * *c0x.offset(3 as isize) - + *b00.offset(3 as isize); + *g.offset(12 as isize) = + *cpx.offset(0 as isize) * *c0x.offset(0 as isize) + *b00.offset(0 as isize); + *g.offset(13 as isize) = + *cpx.offset(1 as isize) * *c0x.offset(1 as isize) + *b00.offset(1 as isize); + *g.offset(14 as isize) = + *cpx.offset(2 as isize) * *c0x.offset(2 as isize) + *b00.offset(2 as isize); + *g.offset(15 as isize) = + *cpx.offset(3 as isize) * *c0x.offset(3 as isize) + *b00.offset(3 as isize); *g.offset(16 as isize) = 1 as f64; *g.offset(17 as isize) = 1 as f64; *g.offset(18 as isize) = 1 as f64; @@ -9948,93 +4759,29 @@ unsafe extern "C" fn _srg0_2d4d_1010( *g.offset(25 as isize) = *cpy.offset(1 as isize); *g.offset(26 as isize) = *cpy.offset(2 as isize); *g.offset(27 as isize) = *cpy.offset(3 as isize); - *g - .offset( - 28 as isize, - ) = *cpy.offset(0 as isize) - * *c0y.offset(0 as isize) - + *b00.offset(0 as isize); - *g - .offset( - 29 as isize, - ) = *cpy.offset(1 as isize) - * *c0y.offset(1 as isize) - + *b00.offset(1 as isize); - *g - .offset( - 30 as isize, - ) = *cpy.offset(2 as isize) - * *c0y.offset(2 as isize) - + *b00.offset(2 as isize); - *g - .offset( - 31 as isize, - ) = *cpy.offset(3 as isize) - * *c0y.offset(3 as isize) - + *b00.offset(3 as isize); - *g - .offset( - 36 as isize, - ) = *c0z.offset(0 as isize) - * *g.offset(32 as isize); - *g - .offset( - 37 as isize, - ) = *c0z.offset(1 as isize) - * *g.offset(33 as isize); - *g - .offset( - 38 as isize, - ) = *c0z.offset(2 as isize) - * *g.offset(34 as isize); - *g - .offset( - 39 as isize, - ) = *c0z.offset(3 as isize) - * *g.offset(35 as isize); - *g - .offset( - 40 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(32 as isize); - *g - .offset( - 41 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(33 as isize); - *g - .offset( - 42 as isize, - ) = *cpz.offset(2 as isize) - * *g.offset(34 as isize); - *g - .offset( - 43 as isize, - ) = *cpz.offset(3 as isize) - * *g.offset(35 as isize); - *g - .offset( - 44 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(36 as isize) + *g.offset(28 as isize) = + *cpy.offset(0 as isize) * *c0y.offset(0 as isize) + *b00.offset(0 as isize); + *g.offset(29 as isize) = + *cpy.offset(1 as isize) * *c0y.offset(1 as isize) + *b00.offset(1 as isize); + *g.offset(30 as isize) = + *cpy.offset(2 as isize) * *c0y.offset(2 as isize) + *b00.offset(2 as isize); + *g.offset(31 as isize) = + *cpy.offset(3 as isize) * *c0y.offset(3 as isize) + *b00.offset(3 as isize); + *g.offset(36 as isize) = *c0z.offset(0 as isize) * *g.offset(32 as isize); + *g.offset(37 as isize) = *c0z.offset(1 as isize) * *g.offset(33 as isize); + *g.offset(38 as isize) = *c0z.offset(2 as isize) * *g.offset(34 as isize); + *g.offset(39 as isize) = *c0z.offset(3 as isize) * *g.offset(35 as isize); + *g.offset(40 as isize) = *cpz.offset(0 as isize) * *g.offset(32 as isize); + *g.offset(41 as isize) = *cpz.offset(1 as isize) * *g.offset(33 as isize); + *g.offset(42 as isize) = *cpz.offset(2 as isize) * *g.offset(34 as isize); + *g.offset(43 as isize) = *cpz.offset(3 as isize) * *g.offset(35 as isize); + *g.offset(44 as isize) = *cpz.offset(0 as isize) * *g.offset(36 as isize) + *b00.offset(0 as isize) * *g.offset(32 as isize); - *g - .offset( - 45 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(37 as isize) + *g.offset(45 as isize) = *cpz.offset(1 as isize) * *g.offset(37 as isize) + *b00.offset(1 as isize) * *g.offset(33 as isize); - *g - .offset( - 46 as isize, - ) = *cpz.offset(2 as isize) - * *g.offset(38 as isize) + *g.offset(46 as isize) = *cpz.offset(2 as isize) * *g.offset(38 as isize) + *b00.offset(2 as isize) * *g.offset(34 as isize); - *g - .offset( - 47 as isize, - ) = *cpz.offset(3 as isize) - * *g.offset(39 as isize) + *g.offset(47 as isize) = *cpz.offset(3 as isize) * *g.offset(39 as isize) + *b00.offset(3 as isize) * *g.offset(35 as isize); } #[inline] @@ -10066,120 +4813,46 @@ unsafe extern "C" fn _srg0_2d4d_1011( *g.offset(17 as isize) = *cpx.offset(1 as isize); *g.offset(18 as isize) = *cpx.offset(2 as isize); *g.offset(19 as isize) = *cpx.offset(3 as isize); - *g - .offset( - 20 as isize, - ) = *cpx.offset(0 as isize) - * *c0x.offset(0 as isize) - + *b00.offset(0 as isize); - *g - .offset( - 21 as isize, - ) = *cpx.offset(1 as isize) - * *c0x.offset(1 as isize) - + *b00.offset(1 as isize); - *g - .offset( - 22 as isize, - ) = *cpx.offset(2 as isize) - * *c0x.offset(2 as isize) - + *b00.offset(2 as isize); - *g - .offset( - 23 as isize, - ) = *cpx.offset(3 as isize) - * *c0x.offset(3 as isize) - + *b00.offset(3 as isize); - *g - .offset( - 24 as isize, - ) = *cpx.offset(0 as isize) - * (xkxl + *cpx.offset(0 as isize)) - + *b01.offset(0 as isize); - *g - .offset( - 25 as isize, - ) = *cpx.offset(1 as isize) - * (xkxl + *cpx.offset(1 as isize)) - + *b01.offset(1 as isize); - *g - .offset( - 26 as isize, - ) = *cpx.offset(2 as isize) - * (xkxl + *cpx.offset(2 as isize)) - + *b01.offset(2 as isize); - *g - .offset( - 27 as isize, - ) = *cpx.offset(3 as isize) - * (xkxl + *cpx.offset(3 as isize)) - + *b01.offset(3 as isize); - *g - .offset( - 28 as isize, - ) = *g.offset(20 as isize) - * (xkxl + *cpx.offset(0 as isize)) + *g.offset(20 as isize) = + *cpx.offset(0 as isize) * *c0x.offset(0 as isize) + *b00.offset(0 as isize); + *g.offset(21 as isize) = + *cpx.offset(1 as isize) * *c0x.offset(1 as isize) + *b00.offset(1 as isize); + *g.offset(22 as isize) = + *cpx.offset(2 as isize) * *c0x.offset(2 as isize) + *b00.offset(2 as isize); + *g.offset(23 as isize) = + *cpx.offset(3 as isize) * *c0x.offset(3 as isize) + *b00.offset(3 as isize); + *g.offset(24 as isize) = + *cpx.offset(0 as isize) * (xkxl + *cpx.offset(0 as isize)) + *b01.offset(0 as isize); + *g.offset(25 as isize) = + *cpx.offset(1 as isize) * (xkxl + *cpx.offset(1 as isize)) + *b01.offset(1 as isize); + *g.offset(26 as isize) = + *cpx.offset(2 as isize) * (xkxl + *cpx.offset(2 as isize)) + *b01.offset(2 as isize); + *g.offset(27 as isize) = + *cpx.offset(3 as isize) * (xkxl + *cpx.offset(3 as isize)) + *b01.offset(3 as isize); + *g.offset(28 as isize) = *g.offset(20 as isize) * (xkxl + *cpx.offset(0 as isize)) + *cpx.offset(0 as isize) * *b00.offset(0 as isize) - + *b01.offset(0 as isize) - * *c0x.offset(0 as isize); - *g - .offset( - 29 as isize, - ) = *g.offset(21 as isize) - * (xkxl + *cpx.offset(1 as isize)) + + *b01.offset(0 as isize) * *c0x.offset(0 as isize); + *g.offset(29 as isize) = *g.offset(21 as isize) * (xkxl + *cpx.offset(1 as isize)) + *cpx.offset(1 as isize) * *b00.offset(1 as isize) - + *b01.offset(1 as isize) - * *c0x.offset(1 as isize); - *g - .offset( - 30 as isize, - ) = *g.offset(22 as isize) - * (xkxl + *cpx.offset(2 as isize)) + + *b01.offset(1 as isize) * *c0x.offset(1 as isize); + *g.offset(30 as isize) = *g.offset(22 as isize) * (xkxl + *cpx.offset(2 as isize)) + *cpx.offset(2 as isize) * *b00.offset(2 as isize) - + *b01.offset(2 as isize) - * *c0x.offset(2 as isize); - *g - .offset( - 31 as isize, - ) = *g.offset(23 as isize) - * (xkxl + *cpx.offset(3 as isize)) + + *b01.offset(2 as isize) * *c0x.offset(2 as isize); + *g.offset(31 as isize) = *g.offset(23 as isize) * (xkxl + *cpx.offset(3 as isize)) + *cpx.offset(3 as isize) * *b00.offset(3 as isize) - + *b01.offset(3 as isize) - * *c0x.offset(3 as isize); + + *b01.offset(3 as isize) * *c0x.offset(3 as isize); *g.offset(8 as isize) = xkxl + *cpx.offset(0 as isize); *g.offset(9 as isize) = xkxl + *cpx.offset(1 as isize); - *g - .offset( - 10 as isize, - ) = xkxl + *cpx.offset(2 as isize); - *g - .offset( - 11 as isize, - ) = xkxl + *cpx.offset(3 as isize); - *g - .offset( - 12 as isize, - ) = *c0x.offset(0 as isize) - * (xkxl + *cpx.offset(0 as isize)) - + *b00.offset(0 as isize); - *g - .offset( - 13 as isize, - ) = *c0x.offset(1 as isize) - * (xkxl + *cpx.offset(1 as isize)) - + *b00.offset(1 as isize); - *g - .offset( - 14 as isize, - ) = *c0x.offset(2 as isize) - * (xkxl + *cpx.offset(2 as isize)) - + *b00.offset(2 as isize); - *g - .offset( - 15 as isize, - ) = *c0x.offset(3 as isize) - * (xkxl + *cpx.offset(3 as isize)) - + *b00.offset(3 as isize); + *g.offset(10 as isize) = xkxl + *cpx.offset(2 as isize); + *g.offset(11 as isize) = xkxl + *cpx.offset(3 as isize); + *g.offset(12 as isize) = + *c0x.offset(0 as isize) * (xkxl + *cpx.offset(0 as isize)) + *b00.offset(0 as isize); + *g.offset(13 as isize) = + *c0x.offset(1 as isize) * (xkxl + *cpx.offset(1 as isize)) + *b00.offset(1 as isize); + *g.offset(14 as isize) = + *c0x.offset(2 as isize) * (xkxl + *cpx.offset(2 as isize)) + *b00.offset(2 as isize); + *g.offset(15 as isize) = + *c0x.offset(3 as isize) * (xkxl + *cpx.offset(3 as isize)) + *b00.offset(3 as isize); *g.offset(48 as isize) = 1 as f64; *g.offset(49 as isize) = 1 as f64; *g.offset(50 as isize) = 1 as f64; @@ -10192,289 +4865,93 @@ unsafe extern "C" fn _srg0_2d4d_1011( *g.offset(65 as isize) = *cpy.offset(1 as isize); *g.offset(66 as isize) = *cpy.offset(2 as isize); *g.offset(67 as isize) = *cpy.offset(3 as isize); - *g - .offset( - 68 as isize, - ) = *cpy.offset(0 as isize) - * *c0y.offset(0 as isize) - + *b00.offset(0 as isize); - *g - .offset( - 69 as isize, - ) = *cpy.offset(1 as isize) - * *c0y.offset(1 as isize) - + *b00.offset(1 as isize); - *g - .offset( - 70 as isize, - ) = *cpy.offset(2 as isize) - * *c0y.offset(2 as isize) - + *b00.offset(2 as isize); - *g - .offset( - 71 as isize, - ) = *cpy.offset(3 as isize) - * *c0y.offset(3 as isize) - + *b00.offset(3 as isize); - *g - .offset( - 72 as isize, - ) = *cpy.offset(0 as isize) - * (ykyl + *cpy.offset(0 as isize)) - + *b01.offset(0 as isize); - *g - .offset( - 73 as isize, - ) = *cpy.offset(1 as isize) - * (ykyl + *cpy.offset(1 as isize)) - + *b01.offset(1 as isize); - *g - .offset( - 74 as isize, - ) = *cpy.offset(2 as isize) - * (ykyl + *cpy.offset(2 as isize)) - + *b01.offset(2 as isize); - *g - .offset( - 75 as isize, - ) = *cpy.offset(3 as isize) - * (ykyl + *cpy.offset(3 as isize)) - + *b01.offset(3 as isize); - *g - .offset( - 76 as isize, - ) = *g.offset(68 as isize) - * (ykyl + *cpy.offset(0 as isize)) + *g.offset(68 as isize) = + *cpy.offset(0 as isize) * *c0y.offset(0 as isize) + *b00.offset(0 as isize); + *g.offset(69 as isize) = + *cpy.offset(1 as isize) * *c0y.offset(1 as isize) + *b00.offset(1 as isize); + *g.offset(70 as isize) = + *cpy.offset(2 as isize) * *c0y.offset(2 as isize) + *b00.offset(2 as isize); + *g.offset(71 as isize) = + *cpy.offset(3 as isize) * *c0y.offset(3 as isize) + *b00.offset(3 as isize); + *g.offset(72 as isize) = + *cpy.offset(0 as isize) * (ykyl + *cpy.offset(0 as isize)) + *b01.offset(0 as isize); + *g.offset(73 as isize) = + *cpy.offset(1 as isize) * (ykyl + *cpy.offset(1 as isize)) + *b01.offset(1 as isize); + *g.offset(74 as isize) = + *cpy.offset(2 as isize) * (ykyl + *cpy.offset(2 as isize)) + *b01.offset(2 as isize); + *g.offset(75 as isize) = + *cpy.offset(3 as isize) * (ykyl + *cpy.offset(3 as isize)) + *b01.offset(3 as isize); + *g.offset(76 as isize) = *g.offset(68 as isize) * (ykyl + *cpy.offset(0 as isize)) + *cpy.offset(0 as isize) * *b00.offset(0 as isize) - + *b01.offset(0 as isize) - * *c0y.offset(0 as isize); - *g - .offset( - 77 as isize, - ) = *g.offset(69 as isize) - * (ykyl + *cpy.offset(1 as isize)) + + *b01.offset(0 as isize) * *c0y.offset(0 as isize); + *g.offset(77 as isize) = *g.offset(69 as isize) * (ykyl + *cpy.offset(1 as isize)) + *cpy.offset(1 as isize) * *b00.offset(1 as isize) - + *b01.offset(1 as isize) - * *c0y.offset(1 as isize); - *g - .offset( - 78 as isize, - ) = *g.offset(70 as isize) - * (ykyl + *cpy.offset(2 as isize)) + + *b01.offset(1 as isize) * *c0y.offset(1 as isize); + *g.offset(78 as isize) = *g.offset(70 as isize) * (ykyl + *cpy.offset(2 as isize)) + *cpy.offset(2 as isize) * *b00.offset(2 as isize) - + *b01.offset(2 as isize) - * *c0y.offset(2 as isize); - *g - .offset( - 79 as isize, - ) = *g.offset(71 as isize) - * (ykyl + *cpy.offset(3 as isize)) + + *b01.offset(2 as isize) * *c0y.offset(2 as isize); + *g.offset(79 as isize) = *g.offset(71 as isize) * (ykyl + *cpy.offset(3 as isize)) + *cpy.offset(3 as isize) * *b00.offset(3 as isize) - + *b01.offset(3 as isize) - * *c0y.offset(3 as isize); - *g - .offset( - 56 as isize, - ) = ykyl + *cpy.offset(0 as isize); - *g - .offset( - 57 as isize, - ) = ykyl + *cpy.offset(1 as isize); - *g - .offset( - 58 as isize, - ) = ykyl + *cpy.offset(2 as isize); - *g - .offset( - 59 as isize, - ) = ykyl + *cpy.offset(3 as isize); - *g - .offset( - 60 as isize, - ) = *c0y.offset(0 as isize) - * (ykyl + *cpy.offset(0 as isize)) - + *b00.offset(0 as isize); - *g - .offset( - 61 as isize, - ) = *c0y.offset(1 as isize) - * (ykyl + *cpy.offset(1 as isize)) - + *b00.offset(1 as isize); - *g - .offset( - 62 as isize, - ) = *c0y.offset(2 as isize) - * (ykyl + *cpy.offset(2 as isize)) - + *b00.offset(2 as isize); - *g - .offset( - 63 as isize, - ) = *c0y.offset(3 as isize) - * (ykyl + *cpy.offset(3 as isize)) - + *b00.offset(3 as isize); - *g - .offset( - 100 as isize, - ) = *c0z.offset(0 as isize) - * *g.offset(96 as isize); - *g - .offset( - 101 as isize, - ) = *c0z.offset(1 as isize) - * *g.offset(97 as isize); - *g - .offset( - 102 as isize, - ) = *c0z.offset(2 as isize) - * *g.offset(98 as isize); - *g - .offset( - 103 as isize, - ) = *c0z.offset(3 as isize) - * *g.offset(99 as isize); - *g - .offset( - 112 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(96 as isize); - *g - .offset( - 113 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(97 as isize); - *g - .offset( - 114 as isize, - ) = *cpz.offset(2 as isize) - * *g.offset(98 as isize); - *g - .offset( - 115 as isize, - ) = *cpz.offset(3 as isize) - * *g.offset(99 as isize); - *g - .offset( - 116 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(100 as isize) + + *b01.offset(3 as isize) * *c0y.offset(3 as isize); + *g.offset(56 as isize) = ykyl + *cpy.offset(0 as isize); + *g.offset(57 as isize) = ykyl + *cpy.offset(1 as isize); + *g.offset(58 as isize) = ykyl + *cpy.offset(2 as isize); + *g.offset(59 as isize) = ykyl + *cpy.offset(3 as isize); + *g.offset(60 as isize) = + *c0y.offset(0 as isize) * (ykyl + *cpy.offset(0 as isize)) + *b00.offset(0 as isize); + *g.offset(61 as isize) = + *c0y.offset(1 as isize) * (ykyl + *cpy.offset(1 as isize)) + *b00.offset(1 as isize); + *g.offset(62 as isize) = + *c0y.offset(2 as isize) * (ykyl + *cpy.offset(2 as isize)) + *b00.offset(2 as isize); + *g.offset(63 as isize) = + *c0y.offset(3 as isize) * (ykyl + *cpy.offset(3 as isize)) + *b00.offset(3 as isize); + *g.offset(100 as isize) = *c0z.offset(0 as isize) * *g.offset(96 as isize); + *g.offset(101 as isize) = *c0z.offset(1 as isize) * *g.offset(97 as isize); + *g.offset(102 as isize) = *c0z.offset(2 as isize) * *g.offset(98 as isize); + *g.offset(103 as isize) = *c0z.offset(3 as isize) * *g.offset(99 as isize); + *g.offset(112 as isize) = *cpz.offset(0 as isize) * *g.offset(96 as isize); + *g.offset(113 as isize) = *cpz.offset(1 as isize) * *g.offset(97 as isize); + *g.offset(114 as isize) = *cpz.offset(2 as isize) * *g.offset(98 as isize); + *g.offset(115 as isize) = *cpz.offset(3 as isize) * *g.offset(99 as isize); + *g.offset(116 as isize) = *cpz.offset(0 as isize) * *g.offset(100 as isize) + *b00.offset(0 as isize) * *g.offset(96 as isize); - *g - .offset( - 117 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(101 as isize) + *g.offset(117 as isize) = *cpz.offset(1 as isize) * *g.offset(101 as isize) + *b00.offset(1 as isize) * *g.offset(97 as isize); - *g - .offset( - 118 as isize, - ) = *cpz.offset(2 as isize) - * *g.offset(102 as isize) + *g.offset(118 as isize) = *cpz.offset(2 as isize) * *g.offset(102 as isize) + *b00.offset(2 as isize) * *g.offset(98 as isize); - *g - .offset( - 119 as isize, - ) = *cpz.offset(3 as isize) - * *g.offset(103 as isize) + *g.offset(119 as isize) = *cpz.offset(3 as isize) * *g.offset(103 as isize) + *b00.offset(3 as isize) * *g.offset(99 as isize); - *g - .offset( - 120 as isize, - ) = *g.offset(112 as isize) - * (zkzl + *cpz.offset(0 as isize)) + *g.offset(120 as isize) = *g.offset(112 as isize) * (zkzl + *cpz.offset(0 as isize)) + *b01.offset(0 as isize) * *g.offset(96 as isize); - *g - .offset( - 121 as isize, - ) = *g.offset(113 as isize) - * (zkzl + *cpz.offset(1 as isize)) + *g.offset(121 as isize) = *g.offset(113 as isize) * (zkzl + *cpz.offset(1 as isize)) + *b01.offset(1 as isize) * *g.offset(97 as isize); - *g - .offset( - 122 as isize, - ) = *g.offset(114 as isize) - * (zkzl + *cpz.offset(2 as isize)) + *g.offset(122 as isize) = *g.offset(114 as isize) * (zkzl + *cpz.offset(2 as isize)) + *b01.offset(2 as isize) * *g.offset(98 as isize); - *g - .offset( - 123 as isize, - ) = *g.offset(115 as isize) - * (zkzl + *cpz.offset(3 as isize)) + *g.offset(123 as isize) = *g.offset(115 as isize) * (zkzl + *cpz.offset(3 as isize)) + *b01.offset(3 as isize) * *g.offset(99 as isize); - *g - .offset( - 124 as isize, - ) = *g.offset(116 as isize) - * (zkzl + *cpz.offset(0 as isize)) + *g.offset(124 as isize) = *g.offset(116 as isize) * (zkzl + *cpz.offset(0 as isize)) + *b01.offset(0 as isize) * *g.offset(100 as isize) - + *b00.offset(0 as isize) - * *g.offset(112 as isize); - *g - .offset( - 125 as isize, - ) = *g.offset(117 as isize) - * (zkzl + *cpz.offset(1 as isize)) + + *b00.offset(0 as isize) * *g.offset(112 as isize); + *g.offset(125 as isize) = *g.offset(117 as isize) * (zkzl + *cpz.offset(1 as isize)) + *b01.offset(1 as isize) * *g.offset(101 as isize) - + *b00.offset(1 as isize) - * *g.offset(113 as isize); - *g - .offset( - 126 as isize, - ) = *g.offset(118 as isize) - * (zkzl + *cpz.offset(2 as isize)) + + *b00.offset(1 as isize) * *g.offset(113 as isize); + *g.offset(126 as isize) = *g.offset(118 as isize) * (zkzl + *cpz.offset(2 as isize)) + *b01.offset(2 as isize) * *g.offset(102 as isize) - + *b00.offset(2 as isize) - * *g.offset(114 as isize); - *g - .offset( - 127 as isize, - ) = *g.offset(119 as isize) - * (zkzl + *cpz.offset(3 as isize)) + + *b00.offset(2 as isize) * *g.offset(114 as isize); + *g.offset(127 as isize) = *g.offset(119 as isize) * (zkzl + *cpz.offset(3 as isize)) + *b01.offset(3 as isize) * *g.offset(103 as isize) - + *b00.offset(3 as isize) - * *g.offset(115 as isize); - *g - .offset( - 104 as isize, - ) = *g.offset(96 as isize) - * (zkzl + *cpz.offset(0 as isize)); - *g - .offset( - 105 as isize, - ) = *g.offset(97 as isize) - * (zkzl + *cpz.offset(1 as isize)); - *g - .offset( - 106 as isize, - ) = *g.offset(98 as isize) - * (zkzl + *cpz.offset(2 as isize)); - *g - .offset( - 107 as isize, - ) = *g.offset(99 as isize) - * (zkzl + *cpz.offset(3 as isize)); - *g - .offset( - 108 as isize, - ) = *g.offset(100 as isize) - * (zkzl + *cpz.offset(0 as isize)) + + *b00.offset(3 as isize) * *g.offset(115 as isize); + *g.offset(104 as isize) = *g.offset(96 as isize) * (zkzl + *cpz.offset(0 as isize)); + *g.offset(105 as isize) = *g.offset(97 as isize) * (zkzl + *cpz.offset(1 as isize)); + *g.offset(106 as isize) = *g.offset(98 as isize) * (zkzl + *cpz.offset(2 as isize)); + *g.offset(107 as isize) = *g.offset(99 as isize) * (zkzl + *cpz.offset(3 as isize)); + *g.offset(108 as isize) = *g.offset(100 as isize) * (zkzl + *cpz.offset(0 as isize)) + *b00.offset(0 as isize) * *g.offset(96 as isize); - *g - .offset( - 109 as isize, - ) = *g.offset(101 as isize) - * (zkzl + *cpz.offset(1 as isize)) + *g.offset(109 as isize) = *g.offset(101 as isize) * (zkzl + *cpz.offset(1 as isize)) + *b00.offset(1 as isize) * *g.offset(97 as isize); - *g - .offset( - 110 as isize, - ) = *g.offset(102 as isize) - * (zkzl + *cpz.offset(2 as isize)) + *g.offset(110 as isize) = *g.offset(102 as isize) * (zkzl + *cpz.offset(2 as isize)) + *b00.offset(2 as isize) * *g.offset(98 as isize); - *g - .offset( - 111 as isize, - ) = *g.offset(103 as isize) - * (zkzl + *cpz.offset(3 as isize)) + *g.offset(111 as isize) = *g.offset(103 as isize) * (zkzl + *cpz.offset(3 as isize)) + *b00.offset(3 as isize) * *g.offset(99 as isize); } #[inline] @@ -10503,86 +4980,34 @@ unsafe extern "C" fn _srg0_2d4d_1020( *g.offset(9 as isize) = *cpx.offset(1 as isize); *g.offset(10 as isize) = *cpx.offset(2 as isize); *g.offset(11 as isize) = *cpx.offset(3 as isize); - *g - .offset( - 12 as isize, - ) = *cpx.offset(0 as isize) - * *c0x.offset(0 as isize) - + *b00.offset(0 as isize); - *g - .offset( - 13 as isize, - ) = *cpx.offset(1 as isize) - * *c0x.offset(1 as isize) - + *b00.offset(1 as isize); - *g - .offset( - 14 as isize, - ) = *cpx.offset(2 as isize) - * *c0x.offset(2 as isize) - + *b00.offset(2 as isize); - *g - .offset( - 15 as isize, - ) = *cpx.offset(3 as isize) - * *c0x.offset(3 as isize) - + *b00.offset(3 as isize); - *g - .offset( - 16 as isize, - ) = *cpx.offset(0 as isize) - * *cpx.offset(0 as isize) - + *b01.offset(0 as isize); - *g - .offset( - 17 as isize, - ) = *cpx.offset(1 as isize) - * *cpx.offset(1 as isize) - + *b01.offset(1 as isize); - *g - .offset( - 18 as isize, - ) = *cpx.offset(2 as isize) - * *cpx.offset(2 as isize) - + *b01.offset(2 as isize); - *g - .offset( - 19 as isize, - ) = *cpx.offset(3 as isize) - * *cpx.offset(3 as isize) - + *b01.offset(3 as isize); - *g - .offset( - 20 as isize, - ) = *cpx.offset(0 as isize) - * (*g.offset(12 as isize) - + *b00.offset(0 as isize)) - + *b01.offset(0 as isize) - * *c0x.offset(0 as isize); - *g - .offset( - 21 as isize, - ) = *cpx.offset(1 as isize) - * (*g.offset(13 as isize) - + *b00.offset(1 as isize)) - + *b01.offset(1 as isize) - * *c0x.offset(1 as isize); - *g - .offset( - 22 as isize, - ) = *cpx.offset(2 as isize) - * (*g.offset(14 as isize) - + *b00.offset(2 as isize)) - + *b01.offset(2 as isize) - * *c0x.offset(2 as isize); - *g - .offset( - 23 as isize, - ) = *cpx.offset(3 as isize) - * (*g.offset(15 as isize) - + *b00.offset(3 as isize)) - + *b01.offset(3 as isize) - * *c0x.offset(3 as isize); + *g.offset(12 as isize) = + *cpx.offset(0 as isize) * *c0x.offset(0 as isize) + *b00.offset(0 as isize); + *g.offset(13 as isize) = + *cpx.offset(1 as isize) * *c0x.offset(1 as isize) + *b00.offset(1 as isize); + *g.offset(14 as isize) = + *cpx.offset(2 as isize) * *c0x.offset(2 as isize) + *b00.offset(2 as isize); + *g.offset(15 as isize) = + *cpx.offset(3 as isize) * *c0x.offset(3 as isize) + *b00.offset(3 as isize); + *g.offset(16 as isize) = + *cpx.offset(0 as isize) * *cpx.offset(0 as isize) + *b01.offset(0 as isize); + *g.offset(17 as isize) = + *cpx.offset(1 as isize) * *cpx.offset(1 as isize) + *b01.offset(1 as isize); + *g.offset(18 as isize) = + *cpx.offset(2 as isize) * *cpx.offset(2 as isize) + *b01.offset(2 as isize); + *g.offset(19 as isize) = + *cpx.offset(3 as isize) * *cpx.offset(3 as isize) + *b01.offset(3 as isize); + *g.offset(20 as isize) = *cpx.offset(0 as isize) + * (*g.offset(12 as isize) + *b00.offset(0 as isize)) + + *b01.offset(0 as isize) * *c0x.offset(0 as isize); + *g.offset(21 as isize) = *cpx.offset(1 as isize) + * (*g.offset(13 as isize) + *b00.offset(1 as isize)) + + *b01.offset(1 as isize) * *c0x.offset(1 as isize); + *g.offset(22 as isize) = *cpx.offset(2 as isize) + * (*g.offset(14 as isize) + *b00.offset(2 as isize)) + + *b01.offset(2 as isize) * *c0x.offset(2 as isize); + *g.offset(23 as isize) = *cpx.offset(3 as isize) + * (*g.offset(15 as isize) + *b00.offset(3 as isize)) + + *b01.offset(3 as isize) * *c0x.offset(3 as isize); *g.offset(24 as isize) = 1 as f64; *g.offset(25 as isize) = 1 as f64; *g.offset(26 as isize) = 1 as f64; @@ -10595,200 +5020,68 @@ unsafe extern "C" fn _srg0_2d4d_1020( *g.offset(33 as isize) = *cpy.offset(1 as isize); *g.offset(34 as isize) = *cpy.offset(2 as isize); *g.offset(35 as isize) = *cpy.offset(3 as isize); - *g - .offset( - 36 as isize, - ) = *cpy.offset(0 as isize) - * *c0y.offset(0 as isize) - + *b00.offset(0 as isize); - *g - .offset( - 37 as isize, - ) = *cpy.offset(1 as isize) - * *c0y.offset(1 as isize) - + *b00.offset(1 as isize); - *g - .offset( - 38 as isize, - ) = *cpy.offset(2 as isize) - * *c0y.offset(2 as isize) - + *b00.offset(2 as isize); - *g - .offset( - 39 as isize, - ) = *cpy.offset(3 as isize) - * *c0y.offset(3 as isize) - + *b00.offset(3 as isize); - *g - .offset( - 40 as isize, - ) = *cpy.offset(0 as isize) - * *cpy.offset(0 as isize) - + *b01.offset(0 as isize); - *g - .offset( - 41 as isize, - ) = *cpy.offset(1 as isize) - * *cpy.offset(1 as isize) - + *b01.offset(1 as isize); - *g - .offset( - 42 as isize, - ) = *cpy.offset(2 as isize) - * *cpy.offset(2 as isize) - + *b01.offset(2 as isize); - *g - .offset( - 43 as isize, - ) = *cpy.offset(3 as isize) - * *cpy.offset(3 as isize) - + *b01.offset(3 as isize); - *g - .offset( - 44 as isize, - ) = *cpy.offset(0 as isize) - * (*g.offset(36 as isize) - + *b00.offset(0 as isize)) - + *b01.offset(0 as isize) - * *c0y.offset(0 as isize); - *g - .offset( - 45 as isize, - ) = *cpy.offset(1 as isize) - * (*g.offset(37 as isize) - + *b00.offset(1 as isize)) - + *b01.offset(1 as isize) - * *c0y.offset(1 as isize); - *g - .offset( - 46 as isize, - ) = *cpy.offset(2 as isize) - * (*g.offset(38 as isize) - + *b00.offset(2 as isize)) - + *b01.offset(2 as isize) - * *c0y.offset(2 as isize); - *g - .offset( - 47 as isize, - ) = *cpy.offset(3 as isize) - * (*g.offset(39 as isize) - + *b00.offset(3 as isize)) - + *b01.offset(3 as isize) - * *c0y.offset(3 as isize); - *g - .offset( - 52 as isize, - ) = *c0z.offset(0 as isize) - * *g.offset(48 as isize); - *g - .offset( - 53 as isize, - ) = *c0z.offset(1 as isize) - * *g.offset(49 as isize); - *g - .offset( - 54 as isize, - ) = *c0z.offset(2 as isize) - * *g.offset(50 as isize); - *g - .offset( - 55 as isize, - ) = *c0z.offset(3 as isize) - * *g.offset(51 as isize); - *g - .offset( - 56 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(48 as isize); - *g - .offset( - 57 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(49 as isize); - *g - .offset( - 58 as isize, - ) = *cpz.offset(2 as isize) - * *g.offset(50 as isize); - *g - .offset( - 59 as isize, - ) = *cpz.offset(3 as isize) - * *g.offset(51 as isize); - *g - .offset( - 60 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(52 as isize) + *g.offset(36 as isize) = + *cpy.offset(0 as isize) * *c0y.offset(0 as isize) + *b00.offset(0 as isize); + *g.offset(37 as isize) = + *cpy.offset(1 as isize) * *c0y.offset(1 as isize) + *b00.offset(1 as isize); + *g.offset(38 as isize) = + *cpy.offset(2 as isize) * *c0y.offset(2 as isize) + *b00.offset(2 as isize); + *g.offset(39 as isize) = + *cpy.offset(3 as isize) * *c0y.offset(3 as isize) + *b00.offset(3 as isize); + *g.offset(40 as isize) = + *cpy.offset(0 as isize) * *cpy.offset(0 as isize) + *b01.offset(0 as isize); + *g.offset(41 as isize) = + *cpy.offset(1 as isize) * *cpy.offset(1 as isize) + *b01.offset(1 as isize); + *g.offset(42 as isize) = + *cpy.offset(2 as isize) * *cpy.offset(2 as isize) + *b01.offset(2 as isize); + *g.offset(43 as isize) = + *cpy.offset(3 as isize) * *cpy.offset(3 as isize) + *b01.offset(3 as isize); + *g.offset(44 as isize) = *cpy.offset(0 as isize) + * (*g.offset(36 as isize) + *b00.offset(0 as isize)) + + *b01.offset(0 as isize) * *c0y.offset(0 as isize); + *g.offset(45 as isize) = *cpy.offset(1 as isize) + * (*g.offset(37 as isize) + *b00.offset(1 as isize)) + + *b01.offset(1 as isize) * *c0y.offset(1 as isize); + *g.offset(46 as isize) = *cpy.offset(2 as isize) + * (*g.offset(38 as isize) + *b00.offset(2 as isize)) + + *b01.offset(2 as isize) * *c0y.offset(2 as isize); + *g.offset(47 as isize) = *cpy.offset(3 as isize) + * (*g.offset(39 as isize) + *b00.offset(3 as isize)) + + *b01.offset(3 as isize) * *c0y.offset(3 as isize); + *g.offset(52 as isize) = *c0z.offset(0 as isize) * *g.offset(48 as isize); + *g.offset(53 as isize) = *c0z.offset(1 as isize) * *g.offset(49 as isize); + *g.offset(54 as isize) = *c0z.offset(2 as isize) * *g.offset(50 as isize); + *g.offset(55 as isize) = *c0z.offset(3 as isize) * *g.offset(51 as isize); + *g.offset(56 as isize) = *cpz.offset(0 as isize) * *g.offset(48 as isize); + *g.offset(57 as isize) = *cpz.offset(1 as isize) * *g.offset(49 as isize); + *g.offset(58 as isize) = *cpz.offset(2 as isize) * *g.offset(50 as isize); + *g.offset(59 as isize) = *cpz.offset(3 as isize) * *g.offset(51 as isize); + *g.offset(60 as isize) = *cpz.offset(0 as isize) * *g.offset(52 as isize) + *b00.offset(0 as isize) * *g.offset(48 as isize); - *g - .offset( - 61 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(53 as isize) + *g.offset(61 as isize) = *cpz.offset(1 as isize) * *g.offset(53 as isize) + *b00.offset(1 as isize) * *g.offset(49 as isize); - *g - .offset( - 62 as isize, - ) = *cpz.offset(2 as isize) - * *g.offset(54 as isize) + *g.offset(62 as isize) = *cpz.offset(2 as isize) * *g.offset(54 as isize) + *b00.offset(2 as isize) * *g.offset(50 as isize); - *g - .offset( - 63 as isize, - ) = *cpz.offset(3 as isize) - * *g.offset(55 as isize) + *g.offset(63 as isize) = *cpz.offset(3 as isize) * *g.offset(55 as isize) + *b00.offset(3 as isize) * *g.offset(51 as isize); - *g - .offset( - 64 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(56 as isize) + *g.offset(64 as isize) = *cpz.offset(0 as isize) * *g.offset(56 as isize) + *b01.offset(0 as isize) * *g.offset(48 as isize); - *g - .offset( - 65 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(57 as isize) + *g.offset(65 as isize) = *cpz.offset(1 as isize) * *g.offset(57 as isize) + *b01.offset(1 as isize) * *g.offset(49 as isize); - *g - .offset( - 66 as isize, - ) = *cpz.offset(2 as isize) - * *g.offset(58 as isize) + *g.offset(66 as isize) = *cpz.offset(2 as isize) * *g.offset(58 as isize) + *b01.offset(2 as isize) * *g.offset(50 as isize); - *g - .offset( - 67 as isize, - ) = *cpz.offset(3 as isize) - * *g.offset(59 as isize) + *g.offset(67 as isize) = *cpz.offset(3 as isize) * *g.offset(59 as isize) + *b01.offset(3 as isize) * *g.offset(51 as isize); - *g - .offset( - 68 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(60 as isize) + *g.offset(68 as isize) = *cpz.offset(0 as isize) * *g.offset(60 as isize) + *b01.offset(0 as isize) * *g.offset(52 as isize) + *b00.offset(0 as isize) * *g.offset(56 as isize); - *g - .offset( - 69 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(61 as isize) + *g.offset(69 as isize) = *cpz.offset(1 as isize) * *g.offset(61 as isize) + *b01.offset(1 as isize) * *g.offset(53 as isize) + *b00.offset(1 as isize) * *g.offset(57 as isize); - *g - .offset( - 70 as isize, - ) = *cpz.offset(2 as isize) - * *g.offset(62 as isize) + *g.offset(70 as isize) = *cpz.offset(2 as isize) * *g.offset(62 as isize) + *b01.offset(2 as isize) * *g.offset(54 as isize) + *b00.offset(2 as isize) * *g.offset(58 as isize); - *g - .offset( - 71 as isize, - ) = *cpz.offset(3 as isize) - * *g.offset(63 as isize) + *g.offset(71 as isize) = *cpz.offset(3 as isize) * *g.offset(63 as isize) + *b01.offset(3 as isize) * *g.offset(55 as isize) + *b00.offset(3 as isize) * *g.offset(59 as isize); } @@ -10813,30 +5106,14 @@ unsafe extern "C" fn _srg0_2d4d_1100( *g.offset(9 as isize) = *c0x.offset(1 as isize); *g.offset(10 as isize) = *c0x.offset(2 as isize); *g.offset(11 as isize) = *c0x.offset(3 as isize); - *g - .offset( - 12 as isize, - ) = *c0x.offset(0 as isize) - * (xixj + *c0x.offset(0 as isize)) - + *b10.offset(0 as isize); - *g - .offset( - 13 as isize, - ) = *c0x.offset(1 as isize) - * (xixj + *c0x.offset(1 as isize)) - + *b10.offset(1 as isize); - *g - .offset( - 14 as isize, - ) = *c0x.offset(2 as isize) - * (xixj + *c0x.offset(2 as isize)) - + *b10.offset(2 as isize); - *g - .offset( - 15 as isize, - ) = *c0x.offset(3 as isize) - * (xixj + *c0x.offset(3 as isize)) - + *b10.offset(3 as isize); + *g.offset(12 as isize) = + *c0x.offset(0 as isize) * (xixj + *c0x.offset(0 as isize)) + *b10.offset(0 as isize); + *g.offset(13 as isize) = + *c0x.offset(1 as isize) * (xixj + *c0x.offset(1 as isize)) + *b10.offset(1 as isize); + *g.offset(14 as isize) = + *c0x.offset(2 as isize) * (xixj + *c0x.offset(2 as isize)) + *b10.offset(2 as isize); + *g.offset(15 as isize) = + *c0x.offset(3 as isize) * (xixj + *c0x.offset(3 as isize)) + *b10.offset(3 as isize); *g.offset(4 as isize) = xixj + *c0x.offset(0 as isize); *g.offset(5 as isize) = xixj + *c0x.offset(1 as isize); *g.offset(6 as isize) = xixj + *c0x.offset(2 as isize); @@ -10849,110 +5126,34 @@ unsafe extern "C" fn _srg0_2d4d_1100( *g.offset(33 as isize) = *c0y.offset(1 as isize); *g.offset(34 as isize) = *c0y.offset(2 as isize); *g.offset(35 as isize) = *c0y.offset(3 as isize); - *g - .offset( - 36 as isize, - ) = *c0y.offset(0 as isize) - * (yiyj + *c0y.offset(0 as isize)) - + *b10.offset(0 as isize); - *g - .offset( - 37 as isize, - ) = *c0y.offset(1 as isize) - * (yiyj + *c0y.offset(1 as isize)) - + *b10.offset(1 as isize); - *g - .offset( - 38 as isize, - ) = *c0y.offset(2 as isize) - * (yiyj + *c0y.offset(2 as isize)) - + *b10.offset(2 as isize); - *g - .offset( - 39 as isize, - ) = *c0y.offset(3 as isize) - * (yiyj + *c0y.offset(3 as isize)) - + *b10.offset(3 as isize); - *g - .offset( - 28 as isize, - ) = yiyj + *c0y.offset(0 as isize); - *g - .offset( - 29 as isize, - ) = yiyj + *c0y.offset(1 as isize); - *g - .offset( - 30 as isize, - ) = yiyj + *c0y.offset(2 as isize); - *g - .offset( - 31 as isize, - ) = yiyj + *c0y.offset(3 as isize); - *g - .offset( - 56 as isize, - ) = *c0z.offset(0 as isize) - * *g.offset(48 as isize); - *g - .offset( - 57 as isize, - ) = *c0z.offset(1 as isize) - * *g.offset(49 as isize); - *g - .offset( - 58 as isize, - ) = *c0z.offset(2 as isize) - * *g.offset(50 as isize); - *g - .offset( - 59 as isize, - ) = *c0z.offset(3 as isize) - * *g.offset(51 as isize); - *g - .offset( - 60 as isize, - ) = *g.offset(56 as isize) - * (zizj + *c0z.offset(0 as isize)) + *g.offset(36 as isize) = + *c0y.offset(0 as isize) * (yiyj + *c0y.offset(0 as isize)) + *b10.offset(0 as isize); + *g.offset(37 as isize) = + *c0y.offset(1 as isize) * (yiyj + *c0y.offset(1 as isize)) + *b10.offset(1 as isize); + *g.offset(38 as isize) = + *c0y.offset(2 as isize) * (yiyj + *c0y.offset(2 as isize)) + *b10.offset(2 as isize); + *g.offset(39 as isize) = + *c0y.offset(3 as isize) * (yiyj + *c0y.offset(3 as isize)) + *b10.offset(3 as isize); + *g.offset(28 as isize) = yiyj + *c0y.offset(0 as isize); + *g.offset(29 as isize) = yiyj + *c0y.offset(1 as isize); + *g.offset(30 as isize) = yiyj + *c0y.offset(2 as isize); + *g.offset(31 as isize) = yiyj + *c0y.offset(3 as isize); + *g.offset(56 as isize) = *c0z.offset(0 as isize) * *g.offset(48 as isize); + *g.offset(57 as isize) = *c0z.offset(1 as isize) * *g.offset(49 as isize); + *g.offset(58 as isize) = *c0z.offset(2 as isize) * *g.offset(50 as isize); + *g.offset(59 as isize) = *c0z.offset(3 as isize) * *g.offset(51 as isize); + *g.offset(60 as isize) = *g.offset(56 as isize) * (zizj + *c0z.offset(0 as isize)) + *b10.offset(0 as isize) * *g.offset(48 as isize); - *g - .offset( - 61 as isize, - ) = *g.offset(57 as isize) - * (zizj + *c0z.offset(1 as isize)) + *g.offset(61 as isize) = *g.offset(57 as isize) * (zizj + *c0z.offset(1 as isize)) + *b10.offset(1 as isize) * *g.offset(49 as isize); - *g - .offset( - 62 as isize, - ) = *g.offset(58 as isize) - * (zizj + *c0z.offset(2 as isize)) + *g.offset(62 as isize) = *g.offset(58 as isize) * (zizj + *c0z.offset(2 as isize)) + *b10.offset(2 as isize) * *g.offset(50 as isize); - *g - .offset( - 63 as isize, - ) = *g.offset(59 as isize) - * (zizj + *c0z.offset(3 as isize)) + *g.offset(63 as isize) = *g.offset(59 as isize) * (zizj + *c0z.offset(3 as isize)) + *b10.offset(3 as isize) * *g.offset(51 as isize); - *g - .offset( - 52 as isize, - ) = *g.offset(48 as isize) - * (zizj + *c0z.offset(0 as isize)); - *g - .offset( - 53 as isize, - ) = *g.offset(49 as isize) - * (zizj + *c0z.offset(1 as isize)); - *g - .offset( - 54 as isize, - ) = *g.offset(50 as isize) - * (zizj + *c0z.offset(2 as isize)); - *g - .offset( - 55 as isize, - ) = *g.offset(51 as isize) - * (zizj + *c0z.offset(3 as isize)); + *g.offset(52 as isize) = *g.offset(48 as isize) * (zizj + *c0z.offset(0 as isize)); + *g.offset(53 as isize) = *g.offset(49 as isize) * (zizj + *c0z.offset(1 as isize)); + *g.offset(54 as isize) = *g.offset(50 as isize) * (zizj + *c0z.offset(2 as isize)); + *g.offset(55 as isize) = *g.offset(51 as isize) * (zizj + *c0z.offset(3 as isize)); } #[inline] unsafe extern "C" fn _srg0_2d4d_1101( @@ -10983,114 +5184,46 @@ unsafe extern "C" fn _srg0_2d4d_1101( *g.offset(9 as isize) = *cpx.offset(1 as isize); *g.offset(10 as isize) = *cpx.offset(2 as isize); *g.offset(11 as isize) = *cpx.offset(3 as isize); - *g - .offset( - 24 as isize, - ) = *cpx.offset(0 as isize) - * *c0x.offset(0 as isize) - + *b00.offset(0 as isize); - *g - .offset( - 25 as isize, - ) = *cpx.offset(1 as isize) - * *c0x.offset(1 as isize) - + *b00.offset(1 as isize); - *g - .offset( - 26 as isize, - ) = *cpx.offset(2 as isize) - * *c0x.offset(2 as isize) - + *b00.offset(2 as isize); - *g - .offset( - 27 as isize, - ) = *cpx.offset(3 as isize) - * *c0x.offset(3 as isize) - + *b00.offset(3 as isize); - *g - .offset( - 20 as isize, - ) = *c0x.offset(0 as isize) - * (xixj + *c0x.offset(0 as isize)) - + *b10.offset(0 as isize); - *g - .offset( - 21 as isize, - ) = *c0x.offset(1 as isize) - * (xixj + *c0x.offset(1 as isize)) - + *b10.offset(1 as isize); - *g - .offset( - 22 as isize, - ) = *c0x.offset(2 as isize) - * (xixj + *c0x.offset(2 as isize)) - + *b10.offset(2 as isize); - *g - .offset( - 23 as isize, - ) = *c0x.offset(3 as isize) - * (xixj + *c0x.offset(3 as isize)) - + *b10.offset(3 as isize); + *g.offset(24 as isize) = + *cpx.offset(0 as isize) * *c0x.offset(0 as isize) + *b00.offset(0 as isize); + *g.offset(25 as isize) = + *cpx.offset(1 as isize) * *c0x.offset(1 as isize) + *b00.offset(1 as isize); + *g.offset(26 as isize) = + *cpx.offset(2 as isize) * *c0x.offset(2 as isize) + *b00.offset(2 as isize); + *g.offset(27 as isize) = + *cpx.offset(3 as isize) * *c0x.offset(3 as isize) + *b00.offset(3 as isize); + *g.offset(20 as isize) = + *c0x.offset(0 as isize) * (xixj + *c0x.offset(0 as isize)) + *b10.offset(0 as isize); + *g.offset(21 as isize) = + *c0x.offset(1 as isize) * (xixj + *c0x.offset(1 as isize)) + *b10.offset(1 as isize); + *g.offset(22 as isize) = + *c0x.offset(2 as isize) * (xixj + *c0x.offset(2 as isize)) + *b10.offset(2 as isize); + *g.offset(23 as isize) = + *c0x.offset(3 as isize) * (xixj + *c0x.offset(3 as isize)) + *b10.offset(3 as isize); *g.offset(4 as isize) = xixj + *c0x.offset(0 as isize); *g.offset(5 as isize) = xixj + *c0x.offset(1 as isize); *g.offset(6 as isize) = xixj + *c0x.offset(2 as isize); *g.offset(7 as isize) = xixj + *c0x.offset(3 as isize); - *g - .offset( - 28 as isize, - ) = *g.offset(24 as isize) - * (xixj + *c0x.offset(0 as isize)) + *g.offset(28 as isize) = *g.offset(24 as isize) * (xixj + *c0x.offset(0 as isize)) + *c0x.offset(0 as isize) * *b00.offset(0 as isize) - + *b10.offset(0 as isize) - * *cpx.offset(0 as isize); - *g - .offset( - 29 as isize, - ) = *g.offset(25 as isize) - * (xixj + *c0x.offset(1 as isize)) + + *b10.offset(0 as isize) * *cpx.offset(0 as isize); + *g.offset(29 as isize) = *g.offset(25 as isize) * (xixj + *c0x.offset(1 as isize)) + *c0x.offset(1 as isize) * *b00.offset(1 as isize) - + *b10.offset(1 as isize) - * *cpx.offset(1 as isize); - *g - .offset( - 30 as isize, - ) = *g.offset(26 as isize) - * (xixj + *c0x.offset(2 as isize)) + + *b10.offset(1 as isize) * *cpx.offset(1 as isize); + *g.offset(30 as isize) = *g.offset(26 as isize) * (xixj + *c0x.offset(2 as isize)) + *c0x.offset(2 as isize) * *b00.offset(2 as isize) - + *b10.offset(2 as isize) - * *cpx.offset(2 as isize); - *g - .offset( - 31 as isize, - ) = *g.offset(27 as isize) - * (xixj + *c0x.offset(3 as isize)) + + *b10.offset(2 as isize) * *cpx.offset(2 as isize); + *g.offset(31 as isize) = *g.offset(27 as isize) * (xixj + *c0x.offset(3 as isize)) + *c0x.offset(3 as isize) * *b00.offset(3 as isize) - + *b10.offset(3 as isize) - * *cpx.offset(3 as isize); - *g - .offset( - 12 as isize, - ) = *cpx.offset(0 as isize) - * (xixj + *c0x.offset(0 as isize)) - + *b00.offset(0 as isize); - *g - .offset( - 13 as isize, - ) = *cpx.offset(1 as isize) - * (xixj + *c0x.offset(1 as isize)) - + *b00.offset(1 as isize); - *g - .offset( - 14 as isize, - ) = *cpx.offset(2 as isize) - * (xixj + *c0x.offset(2 as isize)) - + *b00.offset(2 as isize); - *g - .offset( - 15 as isize, - ) = *cpx.offset(3 as isize) - * (xixj + *c0x.offset(3 as isize)) - + *b00.offset(3 as isize); + + *b10.offset(3 as isize) * *cpx.offset(3 as isize); + *g.offset(12 as isize) = + *cpx.offset(0 as isize) * (xixj + *c0x.offset(0 as isize)) + *b00.offset(0 as isize); + *g.offset(13 as isize) = + *cpx.offset(1 as isize) * (xixj + *c0x.offset(1 as isize)) + *b00.offset(1 as isize); + *g.offset(14 as isize) = + *cpx.offset(2 as isize) * (xixj + *c0x.offset(2 as isize)) + *b00.offset(2 as isize); + *g.offset(15 as isize) = + *cpx.offset(3 as isize) * (xixj + *c0x.offset(3 as isize)) + *b00.offset(3 as isize); *g.offset(48 as isize) = 1 as f64; *g.offset(49 as isize) = 1 as f64; *g.offset(50 as isize) = 1 as f64; @@ -11103,288 +5236,96 @@ unsafe extern "C" fn _srg0_2d4d_1101( *g.offset(57 as isize) = *cpy.offset(1 as isize); *g.offset(58 as isize) = *cpy.offset(2 as isize); *g.offset(59 as isize) = *cpy.offset(3 as isize); - *g - .offset( - 72 as isize, - ) = *cpy.offset(0 as isize) - * *c0y.offset(0 as isize) - + *b00.offset(0 as isize); - *g - .offset( - 73 as isize, - ) = *cpy.offset(1 as isize) - * *c0y.offset(1 as isize) - + *b00.offset(1 as isize); - *g - .offset( - 74 as isize, - ) = *cpy.offset(2 as isize) - * *c0y.offset(2 as isize) - + *b00.offset(2 as isize); - *g - .offset( - 75 as isize, - ) = *cpy.offset(3 as isize) - * *c0y.offset(3 as isize) - + *b00.offset(3 as isize); - *g - .offset( - 68 as isize, - ) = *c0y.offset(0 as isize) - * (yiyj + *c0y.offset(0 as isize)) - + *b10.offset(0 as isize); - *g - .offset( - 69 as isize, - ) = *c0y.offset(1 as isize) - * (yiyj + *c0y.offset(1 as isize)) - + *b10.offset(1 as isize); - *g - .offset( - 70 as isize, - ) = *c0y.offset(2 as isize) - * (yiyj + *c0y.offset(2 as isize)) - + *b10.offset(2 as isize); - *g - .offset( - 71 as isize, - ) = *c0y.offset(3 as isize) - * (yiyj + *c0y.offset(3 as isize)) - + *b10.offset(3 as isize); - *g - .offset( - 52 as isize, - ) = yiyj + *c0y.offset(0 as isize); - *g - .offset( - 53 as isize, - ) = yiyj + *c0y.offset(1 as isize); - *g - .offset( - 54 as isize, - ) = yiyj + *c0y.offset(2 as isize); - *g - .offset( - 55 as isize, - ) = yiyj + *c0y.offset(3 as isize); - *g - .offset( - 76 as isize, - ) = *g.offset(72 as isize) - * (yiyj + *c0y.offset(0 as isize)) + *g.offset(72 as isize) = + *cpy.offset(0 as isize) * *c0y.offset(0 as isize) + *b00.offset(0 as isize); + *g.offset(73 as isize) = + *cpy.offset(1 as isize) * *c0y.offset(1 as isize) + *b00.offset(1 as isize); + *g.offset(74 as isize) = + *cpy.offset(2 as isize) * *c0y.offset(2 as isize) + *b00.offset(2 as isize); + *g.offset(75 as isize) = + *cpy.offset(3 as isize) * *c0y.offset(3 as isize) + *b00.offset(3 as isize); + *g.offset(68 as isize) = + *c0y.offset(0 as isize) * (yiyj + *c0y.offset(0 as isize)) + *b10.offset(0 as isize); + *g.offset(69 as isize) = + *c0y.offset(1 as isize) * (yiyj + *c0y.offset(1 as isize)) + *b10.offset(1 as isize); + *g.offset(70 as isize) = + *c0y.offset(2 as isize) * (yiyj + *c0y.offset(2 as isize)) + *b10.offset(2 as isize); + *g.offset(71 as isize) = + *c0y.offset(3 as isize) * (yiyj + *c0y.offset(3 as isize)) + *b10.offset(3 as isize); + *g.offset(52 as isize) = yiyj + *c0y.offset(0 as isize); + *g.offset(53 as isize) = yiyj + *c0y.offset(1 as isize); + *g.offset(54 as isize) = yiyj + *c0y.offset(2 as isize); + *g.offset(55 as isize) = yiyj + *c0y.offset(3 as isize); + *g.offset(76 as isize) = *g.offset(72 as isize) * (yiyj + *c0y.offset(0 as isize)) + *c0y.offset(0 as isize) * *b00.offset(0 as isize) - + *b10.offset(0 as isize) - * *cpy.offset(0 as isize); - *g - .offset( - 77 as isize, - ) = *g.offset(73 as isize) - * (yiyj + *c0y.offset(1 as isize)) + + *b10.offset(0 as isize) * *cpy.offset(0 as isize); + *g.offset(77 as isize) = *g.offset(73 as isize) * (yiyj + *c0y.offset(1 as isize)) + *c0y.offset(1 as isize) * *b00.offset(1 as isize) - + *b10.offset(1 as isize) - * *cpy.offset(1 as isize); - *g - .offset( - 78 as isize, - ) = *g.offset(74 as isize) - * (yiyj + *c0y.offset(2 as isize)) + + *b10.offset(1 as isize) * *cpy.offset(1 as isize); + *g.offset(78 as isize) = *g.offset(74 as isize) * (yiyj + *c0y.offset(2 as isize)) + *c0y.offset(2 as isize) * *b00.offset(2 as isize) - + *b10.offset(2 as isize) - * *cpy.offset(2 as isize); - *g - .offset( - 79 as isize, - ) = *g.offset(75 as isize) - * (yiyj + *c0y.offset(3 as isize)) + + *b10.offset(2 as isize) * *cpy.offset(2 as isize); + *g.offset(79 as isize) = *g.offset(75 as isize) * (yiyj + *c0y.offset(3 as isize)) + *c0y.offset(3 as isize) * *b00.offset(3 as isize) - + *b10.offset(3 as isize) - * *cpy.offset(3 as isize); - *g - .offset( - 60 as isize, - ) = *cpy.offset(0 as isize) - * (yiyj + *c0y.offset(0 as isize)) - + *b00.offset(0 as isize); - *g - .offset( - 61 as isize, - ) = *cpy.offset(1 as isize) - * (yiyj + *c0y.offset(1 as isize)) - + *b00.offset(1 as isize); - *g - .offset( - 62 as isize, - ) = *cpy.offset(2 as isize) - * (yiyj + *c0y.offset(2 as isize)) - + *b00.offset(2 as isize); - *g - .offset( - 63 as isize, - ) = *cpy.offset(3 as isize) - * (yiyj + *c0y.offset(3 as isize)) - + *b00.offset(3 as isize); - *g - .offset( - 112 as isize, - ) = *c0z.offset(0 as isize) - * *g.offset(96 as isize); - *g - .offset( - 113 as isize, - ) = *c0z.offset(1 as isize) - * *g.offset(97 as isize); - *g - .offset( - 114 as isize, - ) = *c0z.offset(2 as isize) - * *g.offset(98 as isize); - *g - .offset( - 115 as isize, - ) = *c0z.offset(3 as isize) - * *g.offset(99 as isize); - *g - .offset( - 104 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(96 as isize); - *g - .offset( - 105 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(97 as isize); - *g - .offset( - 106 as isize, - ) = *cpz.offset(2 as isize) - * *g.offset(98 as isize); - *g - .offset( - 107 as isize, - ) = *cpz.offset(3 as isize) - * *g.offset(99 as isize); - *g - .offset( - 120 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(112 as isize) + + *b10.offset(3 as isize) * *cpy.offset(3 as isize); + *g.offset(60 as isize) = + *cpy.offset(0 as isize) * (yiyj + *c0y.offset(0 as isize)) + *b00.offset(0 as isize); + *g.offset(61 as isize) = + *cpy.offset(1 as isize) * (yiyj + *c0y.offset(1 as isize)) + *b00.offset(1 as isize); + *g.offset(62 as isize) = + *cpy.offset(2 as isize) * (yiyj + *c0y.offset(2 as isize)) + *b00.offset(2 as isize); + *g.offset(63 as isize) = + *cpy.offset(3 as isize) * (yiyj + *c0y.offset(3 as isize)) + *b00.offset(3 as isize); + *g.offset(112 as isize) = *c0z.offset(0 as isize) * *g.offset(96 as isize); + *g.offset(113 as isize) = *c0z.offset(1 as isize) * *g.offset(97 as isize); + *g.offset(114 as isize) = *c0z.offset(2 as isize) * *g.offset(98 as isize); + *g.offset(115 as isize) = *c0z.offset(3 as isize) * *g.offset(99 as isize); + *g.offset(104 as isize) = *cpz.offset(0 as isize) * *g.offset(96 as isize); + *g.offset(105 as isize) = *cpz.offset(1 as isize) * *g.offset(97 as isize); + *g.offset(106 as isize) = *cpz.offset(2 as isize) * *g.offset(98 as isize); + *g.offset(107 as isize) = *cpz.offset(3 as isize) * *g.offset(99 as isize); + *g.offset(120 as isize) = *cpz.offset(0 as isize) * *g.offset(112 as isize) + *b00.offset(0 as isize) * *g.offset(96 as isize); - *g - .offset( - 121 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(113 as isize) + *g.offset(121 as isize) = *cpz.offset(1 as isize) * *g.offset(113 as isize) + *b00.offset(1 as isize) * *g.offset(97 as isize); - *g - .offset( - 122 as isize, - ) = *cpz.offset(2 as isize) - * *g.offset(114 as isize) + *g.offset(122 as isize) = *cpz.offset(2 as isize) * *g.offset(114 as isize) + *b00.offset(2 as isize) * *g.offset(98 as isize); - *g - .offset( - 123 as isize, - ) = *cpz.offset(3 as isize) - * *g.offset(115 as isize) + *g.offset(123 as isize) = *cpz.offset(3 as isize) * *g.offset(115 as isize) + *b00.offset(3 as isize) * *g.offset(99 as isize); - *g - .offset( - 116 as isize, - ) = *g.offset(112 as isize) - * (zizj + *c0z.offset(0 as isize)) + *g.offset(116 as isize) = *g.offset(112 as isize) * (zizj + *c0z.offset(0 as isize)) + *b10.offset(0 as isize) * *g.offset(96 as isize); - *g - .offset( - 117 as isize, - ) = *g.offset(113 as isize) - * (zizj + *c0z.offset(1 as isize)) + *g.offset(117 as isize) = *g.offset(113 as isize) * (zizj + *c0z.offset(1 as isize)) + *b10.offset(1 as isize) * *g.offset(97 as isize); - *g - .offset( - 118 as isize, - ) = *g.offset(114 as isize) - * (zizj + *c0z.offset(2 as isize)) + *g.offset(118 as isize) = *g.offset(114 as isize) * (zizj + *c0z.offset(2 as isize)) + *b10.offset(2 as isize) * *g.offset(98 as isize); - *g - .offset( - 119 as isize, - ) = *g.offset(115 as isize) - * (zizj + *c0z.offset(3 as isize)) + *g.offset(119 as isize) = *g.offset(115 as isize) * (zizj + *c0z.offset(3 as isize)) + *b10.offset(3 as isize) * *g.offset(99 as isize); - *g - .offset( - 100 as isize, - ) = *g.offset(96 as isize) - * (zizj + *c0z.offset(0 as isize)); - *g - .offset( - 101 as isize, - ) = *g.offset(97 as isize) - * (zizj + *c0z.offset(1 as isize)); - *g - .offset( - 102 as isize, - ) = *g.offset(98 as isize) - * (zizj + *c0z.offset(2 as isize)); - *g - .offset( - 103 as isize, - ) = *g.offset(99 as isize) - * (zizj + *c0z.offset(3 as isize)); - *g - .offset( - 124 as isize, - ) = *g.offset(120 as isize) - * (zizj + *c0z.offset(0 as isize)) + *g.offset(100 as isize) = *g.offset(96 as isize) * (zizj + *c0z.offset(0 as isize)); + *g.offset(101 as isize) = *g.offset(97 as isize) * (zizj + *c0z.offset(1 as isize)); + *g.offset(102 as isize) = *g.offset(98 as isize) * (zizj + *c0z.offset(2 as isize)); + *g.offset(103 as isize) = *g.offset(99 as isize) * (zizj + *c0z.offset(3 as isize)); + *g.offset(124 as isize) = *g.offset(120 as isize) * (zizj + *c0z.offset(0 as isize)) + *b10.offset(0 as isize) * *g.offset(104 as isize) - + *b00.offset(0 as isize) - * *g.offset(112 as isize); - *g - .offset( - 125 as isize, - ) = *g.offset(121 as isize) - * (zizj + *c0z.offset(1 as isize)) + + *b00.offset(0 as isize) * *g.offset(112 as isize); + *g.offset(125 as isize) = *g.offset(121 as isize) * (zizj + *c0z.offset(1 as isize)) + *b10.offset(1 as isize) * *g.offset(105 as isize) - + *b00.offset(1 as isize) - * *g.offset(113 as isize); - *g - .offset( - 126 as isize, - ) = *g.offset(122 as isize) - * (zizj + *c0z.offset(2 as isize)) + + *b00.offset(1 as isize) * *g.offset(113 as isize); + *g.offset(126 as isize) = *g.offset(122 as isize) * (zizj + *c0z.offset(2 as isize)) + *b10.offset(2 as isize) * *g.offset(106 as isize) - + *b00.offset(2 as isize) - * *g.offset(114 as isize); - *g - .offset( - 127 as isize, - ) = *g.offset(123 as isize) - * (zizj + *c0z.offset(3 as isize)) + + *b00.offset(2 as isize) * *g.offset(114 as isize); + *g.offset(127 as isize) = *g.offset(123 as isize) * (zizj + *c0z.offset(3 as isize)) + *b10.offset(3 as isize) * *g.offset(107 as isize) - + *b00.offset(3 as isize) - * *g.offset(115 as isize); - *g - .offset( - 108 as isize, - ) = zizj * *g.offset(104 as isize) + + *b00.offset(3 as isize) * *g.offset(115 as isize); + *g.offset(108 as isize) = zizj * *g.offset(104 as isize) + *cpz.offset(0 as isize) * *g.offset(112 as isize) + *b00.offset(0 as isize) * *g.offset(96 as isize); - *g - .offset( - 109 as isize, - ) = zizj * *g.offset(105 as isize) + *g.offset(109 as isize) = zizj * *g.offset(105 as isize) + *cpz.offset(1 as isize) * *g.offset(113 as isize) + *b00.offset(1 as isize) * *g.offset(97 as isize); - *g - .offset( - 110 as isize, - ) = zizj * *g.offset(106 as isize) + *g.offset(110 as isize) = zizj * *g.offset(106 as isize) + *cpz.offset(2 as isize) * *g.offset(114 as isize) + *b00.offset(2 as isize) * *g.offset(98 as isize); - *g - .offset( - 111 as isize, - ) = zizj * *g.offset(107 as isize) + *g.offset(111 as isize) = zizj * *g.offset(107 as isize) + *cpz.offset(3 as isize) * *g.offset(115 as isize) + *b00.offset(3 as isize) * *g.offset(99 as isize); } @@ -11417,114 +5358,46 @@ unsafe extern "C" fn _srg0_2d4d_1110( *g.offset(9 as isize) = *cpx.offset(1 as isize); *g.offset(10 as isize) = *cpx.offset(2 as isize); *g.offset(11 as isize) = *cpx.offset(3 as isize); - *g - .offset( - 24 as isize, - ) = *cpx.offset(0 as isize) - * *c0x.offset(0 as isize) - + *b00.offset(0 as isize); - *g - .offset( - 25 as isize, - ) = *cpx.offset(1 as isize) - * *c0x.offset(1 as isize) - + *b00.offset(1 as isize); - *g - .offset( - 26 as isize, - ) = *cpx.offset(2 as isize) - * *c0x.offset(2 as isize) - + *b00.offset(2 as isize); - *g - .offset( - 27 as isize, - ) = *cpx.offset(3 as isize) - * *c0x.offset(3 as isize) - + *b00.offset(3 as isize); - *g - .offset( - 20 as isize, - ) = *c0x.offset(0 as isize) - * (xixj + *c0x.offset(0 as isize)) - + *b10.offset(0 as isize); - *g - .offset( - 21 as isize, - ) = *c0x.offset(1 as isize) - * (xixj + *c0x.offset(1 as isize)) - + *b10.offset(1 as isize); - *g - .offset( - 22 as isize, - ) = *c0x.offset(2 as isize) - * (xixj + *c0x.offset(2 as isize)) - + *b10.offset(2 as isize); - *g - .offset( - 23 as isize, - ) = *c0x.offset(3 as isize) - * (xixj + *c0x.offset(3 as isize)) - + *b10.offset(3 as isize); + *g.offset(24 as isize) = + *cpx.offset(0 as isize) * *c0x.offset(0 as isize) + *b00.offset(0 as isize); + *g.offset(25 as isize) = + *cpx.offset(1 as isize) * *c0x.offset(1 as isize) + *b00.offset(1 as isize); + *g.offset(26 as isize) = + *cpx.offset(2 as isize) * *c0x.offset(2 as isize) + *b00.offset(2 as isize); + *g.offset(27 as isize) = + *cpx.offset(3 as isize) * *c0x.offset(3 as isize) + *b00.offset(3 as isize); + *g.offset(20 as isize) = + *c0x.offset(0 as isize) * (xixj + *c0x.offset(0 as isize)) + *b10.offset(0 as isize); + *g.offset(21 as isize) = + *c0x.offset(1 as isize) * (xixj + *c0x.offset(1 as isize)) + *b10.offset(1 as isize); + *g.offset(22 as isize) = + *c0x.offset(2 as isize) * (xixj + *c0x.offset(2 as isize)) + *b10.offset(2 as isize); + *g.offset(23 as isize) = + *c0x.offset(3 as isize) * (xixj + *c0x.offset(3 as isize)) + *b10.offset(3 as isize); *g.offset(4 as isize) = xixj + *c0x.offset(0 as isize); *g.offset(5 as isize) = xixj + *c0x.offset(1 as isize); *g.offset(6 as isize) = xixj + *c0x.offset(2 as isize); *g.offset(7 as isize) = xixj + *c0x.offset(3 as isize); - *g - .offset( - 28 as isize, - ) = *g.offset(24 as isize) - * (xixj + *c0x.offset(0 as isize)) + *g.offset(28 as isize) = *g.offset(24 as isize) * (xixj + *c0x.offset(0 as isize)) + *c0x.offset(0 as isize) * *b00.offset(0 as isize) - + *b10.offset(0 as isize) - * *cpx.offset(0 as isize); - *g - .offset( - 29 as isize, - ) = *g.offset(25 as isize) - * (xixj + *c0x.offset(1 as isize)) + + *b10.offset(0 as isize) * *cpx.offset(0 as isize); + *g.offset(29 as isize) = *g.offset(25 as isize) * (xixj + *c0x.offset(1 as isize)) + *c0x.offset(1 as isize) * *b00.offset(1 as isize) - + *b10.offset(1 as isize) - * *cpx.offset(1 as isize); - *g - .offset( - 30 as isize, - ) = *g.offset(26 as isize) - * (xixj + *c0x.offset(2 as isize)) + + *b10.offset(1 as isize) * *cpx.offset(1 as isize); + *g.offset(30 as isize) = *g.offset(26 as isize) * (xixj + *c0x.offset(2 as isize)) + *c0x.offset(2 as isize) * *b00.offset(2 as isize) - + *b10.offset(2 as isize) - * *cpx.offset(2 as isize); - *g - .offset( - 31 as isize, - ) = *g.offset(27 as isize) - * (xixj + *c0x.offset(3 as isize)) + + *b10.offset(2 as isize) * *cpx.offset(2 as isize); + *g.offset(31 as isize) = *g.offset(27 as isize) * (xixj + *c0x.offset(3 as isize)) + *c0x.offset(3 as isize) * *b00.offset(3 as isize) - + *b10.offset(3 as isize) - * *cpx.offset(3 as isize); - *g - .offset( - 12 as isize, - ) = *cpx.offset(0 as isize) - * (xixj + *c0x.offset(0 as isize)) - + *b00.offset(0 as isize); - *g - .offset( - 13 as isize, - ) = *cpx.offset(1 as isize) - * (xixj + *c0x.offset(1 as isize)) - + *b00.offset(1 as isize); - *g - .offset( - 14 as isize, - ) = *cpx.offset(2 as isize) - * (xixj + *c0x.offset(2 as isize)) - + *b00.offset(2 as isize); - *g - .offset( - 15 as isize, - ) = *cpx.offset(3 as isize) - * (xixj + *c0x.offset(3 as isize)) - + *b00.offset(3 as isize); + + *b10.offset(3 as isize) * *cpx.offset(3 as isize); + *g.offset(12 as isize) = + *cpx.offset(0 as isize) * (xixj + *c0x.offset(0 as isize)) + *b00.offset(0 as isize); + *g.offset(13 as isize) = + *cpx.offset(1 as isize) * (xixj + *c0x.offset(1 as isize)) + *b00.offset(1 as isize); + *g.offset(14 as isize) = + *cpx.offset(2 as isize) * (xixj + *c0x.offset(2 as isize)) + *b00.offset(2 as isize); + *g.offset(15 as isize) = + *cpx.offset(3 as isize) * (xixj + *c0x.offset(3 as isize)) + *b00.offset(3 as isize); *g.offset(48 as isize) = 1 as f64; *g.offset(49 as isize) = 1 as f64; *g.offset(50 as isize) = 1 as f64; @@ -11537,288 +5410,96 @@ unsafe extern "C" fn _srg0_2d4d_1110( *g.offset(57 as isize) = *cpy.offset(1 as isize); *g.offset(58 as isize) = *cpy.offset(2 as isize); *g.offset(59 as isize) = *cpy.offset(3 as isize); - *g - .offset( - 72 as isize, - ) = *cpy.offset(0 as isize) - * *c0y.offset(0 as isize) - + *b00.offset(0 as isize); - *g - .offset( - 73 as isize, - ) = *cpy.offset(1 as isize) - * *c0y.offset(1 as isize) - + *b00.offset(1 as isize); - *g - .offset( - 74 as isize, - ) = *cpy.offset(2 as isize) - * *c0y.offset(2 as isize) - + *b00.offset(2 as isize); - *g - .offset( - 75 as isize, - ) = *cpy.offset(3 as isize) - * *c0y.offset(3 as isize) - + *b00.offset(3 as isize); - *g - .offset( - 68 as isize, - ) = *c0y.offset(0 as isize) - * (yiyj + *c0y.offset(0 as isize)) - + *b10.offset(0 as isize); - *g - .offset( - 69 as isize, - ) = *c0y.offset(1 as isize) - * (yiyj + *c0y.offset(1 as isize)) - + *b10.offset(1 as isize); - *g - .offset( - 70 as isize, - ) = *c0y.offset(2 as isize) - * (yiyj + *c0y.offset(2 as isize)) - + *b10.offset(2 as isize); - *g - .offset( - 71 as isize, - ) = *c0y.offset(3 as isize) - * (yiyj + *c0y.offset(3 as isize)) - + *b10.offset(3 as isize); - *g - .offset( - 52 as isize, - ) = yiyj + *c0y.offset(0 as isize); - *g - .offset( - 53 as isize, - ) = yiyj + *c0y.offset(1 as isize); - *g - .offset( - 54 as isize, - ) = yiyj + *c0y.offset(2 as isize); - *g - .offset( - 55 as isize, - ) = yiyj + *c0y.offset(3 as isize); - *g - .offset( - 76 as isize, - ) = *g.offset(72 as isize) - * (yiyj + *c0y.offset(0 as isize)) + *g.offset(72 as isize) = + *cpy.offset(0 as isize) * *c0y.offset(0 as isize) + *b00.offset(0 as isize); + *g.offset(73 as isize) = + *cpy.offset(1 as isize) * *c0y.offset(1 as isize) + *b00.offset(1 as isize); + *g.offset(74 as isize) = + *cpy.offset(2 as isize) * *c0y.offset(2 as isize) + *b00.offset(2 as isize); + *g.offset(75 as isize) = + *cpy.offset(3 as isize) * *c0y.offset(3 as isize) + *b00.offset(3 as isize); + *g.offset(68 as isize) = + *c0y.offset(0 as isize) * (yiyj + *c0y.offset(0 as isize)) + *b10.offset(0 as isize); + *g.offset(69 as isize) = + *c0y.offset(1 as isize) * (yiyj + *c0y.offset(1 as isize)) + *b10.offset(1 as isize); + *g.offset(70 as isize) = + *c0y.offset(2 as isize) * (yiyj + *c0y.offset(2 as isize)) + *b10.offset(2 as isize); + *g.offset(71 as isize) = + *c0y.offset(3 as isize) * (yiyj + *c0y.offset(3 as isize)) + *b10.offset(3 as isize); + *g.offset(52 as isize) = yiyj + *c0y.offset(0 as isize); + *g.offset(53 as isize) = yiyj + *c0y.offset(1 as isize); + *g.offset(54 as isize) = yiyj + *c0y.offset(2 as isize); + *g.offset(55 as isize) = yiyj + *c0y.offset(3 as isize); + *g.offset(76 as isize) = *g.offset(72 as isize) * (yiyj + *c0y.offset(0 as isize)) + *c0y.offset(0 as isize) * *b00.offset(0 as isize) - + *b10.offset(0 as isize) - * *cpy.offset(0 as isize); - *g - .offset( - 77 as isize, - ) = *g.offset(73 as isize) - * (yiyj + *c0y.offset(1 as isize)) + + *b10.offset(0 as isize) * *cpy.offset(0 as isize); + *g.offset(77 as isize) = *g.offset(73 as isize) * (yiyj + *c0y.offset(1 as isize)) + *c0y.offset(1 as isize) * *b00.offset(1 as isize) - + *b10.offset(1 as isize) - * *cpy.offset(1 as isize); - *g - .offset( - 78 as isize, - ) = *g.offset(74 as isize) - * (yiyj + *c0y.offset(2 as isize)) + + *b10.offset(1 as isize) * *cpy.offset(1 as isize); + *g.offset(78 as isize) = *g.offset(74 as isize) * (yiyj + *c0y.offset(2 as isize)) + *c0y.offset(2 as isize) * *b00.offset(2 as isize) - + *b10.offset(2 as isize) - * *cpy.offset(2 as isize); - *g - .offset( - 79 as isize, - ) = *g.offset(75 as isize) - * (yiyj + *c0y.offset(3 as isize)) + + *b10.offset(2 as isize) * *cpy.offset(2 as isize); + *g.offset(79 as isize) = *g.offset(75 as isize) * (yiyj + *c0y.offset(3 as isize)) + *c0y.offset(3 as isize) * *b00.offset(3 as isize) - + *b10.offset(3 as isize) - * *cpy.offset(3 as isize); - *g - .offset( - 60 as isize, - ) = *cpy.offset(0 as isize) - * (yiyj + *c0y.offset(0 as isize)) - + *b00.offset(0 as isize); - *g - .offset( - 61 as isize, - ) = *cpy.offset(1 as isize) - * (yiyj + *c0y.offset(1 as isize)) - + *b00.offset(1 as isize); - *g - .offset( - 62 as isize, - ) = *cpy.offset(2 as isize) - * (yiyj + *c0y.offset(2 as isize)) - + *b00.offset(2 as isize); - *g - .offset( - 63 as isize, - ) = *cpy.offset(3 as isize) - * (yiyj + *c0y.offset(3 as isize)) - + *b00.offset(3 as isize); - *g - .offset( - 112 as isize, - ) = *c0z.offset(0 as isize) - * *g.offset(96 as isize); - *g - .offset( - 113 as isize, - ) = *c0z.offset(1 as isize) - * *g.offset(97 as isize); - *g - .offset( - 114 as isize, - ) = *c0z.offset(2 as isize) - * *g.offset(98 as isize); - *g - .offset( - 115 as isize, - ) = *c0z.offset(3 as isize) - * *g.offset(99 as isize); - *g - .offset( - 104 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(96 as isize); - *g - .offset( - 105 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(97 as isize); - *g - .offset( - 106 as isize, - ) = *cpz.offset(2 as isize) - * *g.offset(98 as isize); - *g - .offset( - 107 as isize, - ) = *cpz.offset(3 as isize) - * *g.offset(99 as isize); - *g - .offset( - 120 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(112 as isize) + + *b10.offset(3 as isize) * *cpy.offset(3 as isize); + *g.offset(60 as isize) = + *cpy.offset(0 as isize) * (yiyj + *c0y.offset(0 as isize)) + *b00.offset(0 as isize); + *g.offset(61 as isize) = + *cpy.offset(1 as isize) * (yiyj + *c0y.offset(1 as isize)) + *b00.offset(1 as isize); + *g.offset(62 as isize) = + *cpy.offset(2 as isize) * (yiyj + *c0y.offset(2 as isize)) + *b00.offset(2 as isize); + *g.offset(63 as isize) = + *cpy.offset(3 as isize) * (yiyj + *c0y.offset(3 as isize)) + *b00.offset(3 as isize); + *g.offset(112 as isize) = *c0z.offset(0 as isize) * *g.offset(96 as isize); + *g.offset(113 as isize) = *c0z.offset(1 as isize) * *g.offset(97 as isize); + *g.offset(114 as isize) = *c0z.offset(2 as isize) * *g.offset(98 as isize); + *g.offset(115 as isize) = *c0z.offset(3 as isize) * *g.offset(99 as isize); + *g.offset(104 as isize) = *cpz.offset(0 as isize) * *g.offset(96 as isize); + *g.offset(105 as isize) = *cpz.offset(1 as isize) * *g.offset(97 as isize); + *g.offset(106 as isize) = *cpz.offset(2 as isize) * *g.offset(98 as isize); + *g.offset(107 as isize) = *cpz.offset(3 as isize) * *g.offset(99 as isize); + *g.offset(120 as isize) = *cpz.offset(0 as isize) * *g.offset(112 as isize) + *b00.offset(0 as isize) * *g.offset(96 as isize); - *g - .offset( - 121 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(113 as isize) + *g.offset(121 as isize) = *cpz.offset(1 as isize) * *g.offset(113 as isize) + *b00.offset(1 as isize) * *g.offset(97 as isize); - *g - .offset( - 122 as isize, - ) = *cpz.offset(2 as isize) - * *g.offset(114 as isize) + *g.offset(122 as isize) = *cpz.offset(2 as isize) * *g.offset(114 as isize) + *b00.offset(2 as isize) * *g.offset(98 as isize); - *g - .offset( - 123 as isize, - ) = *cpz.offset(3 as isize) - * *g.offset(115 as isize) + *g.offset(123 as isize) = *cpz.offset(3 as isize) * *g.offset(115 as isize) + *b00.offset(3 as isize) * *g.offset(99 as isize); - *g - .offset( - 116 as isize, - ) = *g.offset(112 as isize) - * (zizj + *c0z.offset(0 as isize)) + *g.offset(116 as isize) = *g.offset(112 as isize) * (zizj + *c0z.offset(0 as isize)) + *b10.offset(0 as isize) * *g.offset(96 as isize); - *g - .offset( - 117 as isize, - ) = *g.offset(113 as isize) - * (zizj + *c0z.offset(1 as isize)) + *g.offset(117 as isize) = *g.offset(113 as isize) * (zizj + *c0z.offset(1 as isize)) + *b10.offset(1 as isize) * *g.offset(97 as isize); - *g - .offset( - 118 as isize, - ) = *g.offset(114 as isize) - * (zizj + *c0z.offset(2 as isize)) + *g.offset(118 as isize) = *g.offset(114 as isize) * (zizj + *c0z.offset(2 as isize)) + *b10.offset(2 as isize) * *g.offset(98 as isize); - *g - .offset( - 119 as isize, - ) = *g.offset(115 as isize) - * (zizj + *c0z.offset(3 as isize)) + *g.offset(119 as isize) = *g.offset(115 as isize) * (zizj + *c0z.offset(3 as isize)) + *b10.offset(3 as isize) * *g.offset(99 as isize); - *g - .offset( - 100 as isize, - ) = *g.offset(96 as isize) - * (zizj + *c0z.offset(0 as isize)); - *g - .offset( - 101 as isize, - ) = *g.offset(97 as isize) - * (zizj + *c0z.offset(1 as isize)); - *g - .offset( - 102 as isize, - ) = *g.offset(98 as isize) - * (zizj + *c0z.offset(2 as isize)); - *g - .offset( - 103 as isize, - ) = *g.offset(99 as isize) - * (zizj + *c0z.offset(3 as isize)); - *g - .offset( - 124 as isize, - ) = *g.offset(120 as isize) - * (zizj + *c0z.offset(0 as isize)) + *g.offset(100 as isize) = *g.offset(96 as isize) * (zizj + *c0z.offset(0 as isize)); + *g.offset(101 as isize) = *g.offset(97 as isize) * (zizj + *c0z.offset(1 as isize)); + *g.offset(102 as isize) = *g.offset(98 as isize) * (zizj + *c0z.offset(2 as isize)); + *g.offset(103 as isize) = *g.offset(99 as isize) * (zizj + *c0z.offset(3 as isize)); + *g.offset(124 as isize) = *g.offset(120 as isize) * (zizj + *c0z.offset(0 as isize)) + *b10.offset(0 as isize) * *g.offset(104 as isize) - + *b00.offset(0 as isize) - * *g.offset(112 as isize); - *g - .offset( - 125 as isize, - ) = *g.offset(121 as isize) - * (zizj + *c0z.offset(1 as isize)) + + *b00.offset(0 as isize) * *g.offset(112 as isize); + *g.offset(125 as isize) = *g.offset(121 as isize) * (zizj + *c0z.offset(1 as isize)) + *b10.offset(1 as isize) * *g.offset(105 as isize) - + *b00.offset(1 as isize) - * *g.offset(113 as isize); - *g - .offset( - 126 as isize, - ) = *g.offset(122 as isize) - * (zizj + *c0z.offset(2 as isize)) + + *b00.offset(1 as isize) * *g.offset(113 as isize); + *g.offset(126 as isize) = *g.offset(122 as isize) * (zizj + *c0z.offset(2 as isize)) + *b10.offset(2 as isize) * *g.offset(106 as isize) - + *b00.offset(2 as isize) - * *g.offset(114 as isize); - *g - .offset( - 127 as isize, - ) = *g.offset(123 as isize) - * (zizj + *c0z.offset(3 as isize)) + + *b00.offset(2 as isize) * *g.offset(114 as isize); + *g.offset(127 as isize) = *g.offset(123 as isize) * (zizj + *c0z.offset(3 as isize)) + *b10.offset(3 as isize) * *g.offset(107 as isize) - + *b00.offset(3 as isize) - * *g.offset(115 as isize); - *g - .offset( - 108 as isize, - ) = zizj * *g.offset(104 as isize) + + *b00.offset(3 as isize) * *g.offset(115 as isize); + *g.offset(108 as isize) = zizj * *g.offset(104 as isize) + *cpz.offset(0 as isize) * *g.offset(112 as isize) + *b00.offset(0 as isize) * *g.offset(96 as isize); - *g - .offset( - 109 as isize, - ) = zizj * *g.offset(105 as isize) + *g.offset(109 as isize) = zizj * *g.offset(105 as isize) + *cpz.offset(1 as isize) * *g.offset(113 as isize) + *b00.offset(1 as isize) * *g.offset(97 as isize); - *g - .offset( - 110 as isize, - ) = zizj * *g.offset(106 as isize) + *g.offset(110 as isize) = zizj * *g.offset(106 as isize) + *cpz.offset(2 as isize) * *g.offset(114 as isize) + *b00.offset(2 as isize) * *g.offset(98 as isize); - *g - .offset( - 111 as isize, - ) = zizj * *g.offset(107 as isize) + *g.offset(111 as isize) = zizj * *g.offset(107 as isize) + *cpz.offset(3 as isize) * *g.offset(115 as isize) + *b00.offset(3 as isize) * *g.offset(99 as isize); } @@ -11843,82 +5524,30 @@ unsafe extern "C" fn _srg0_2d4d_1200( *g.offset(9 as isize) = *c0x.offset(1 as isize); *g.offset(10 as isize) = *c0x.offset(2 as isize); *g.offset(11 as isize) = *c0x.offset(3 as isize); - *g - .offset( - 16 as isize, - ) = *c0x.offset(0 as isize) - * *c0x.offset(0 as isize) - + *b10.offset(0 as isize); - *g - .offset( - 17 as isize, - ) = *c0x.offset(1 as isize) - * *c0x.offset(1 as isize) - + *b10.offset(1 as isize); - *g - .offset( - 18 as isize, - ) = *c0x.offset(2 as isize) - * *c0x.offset(2 as isize) - + *b10.offset(2 as isize); - *g - .offset( - 19 as isize, - ) = *c0x.offset(3 as isize) - * *c0x.offset(3 as isize) - + *b10.offset(3 as isize); - *g - .offset( - 20 as isize, - ) = *g.offset(16 as isize) - * (xixj + *c0x.offset(0 as isize)) - + *c0x.offset(0 as isize) * 2 as f64 - * *b10.offset(0 as isize); - *g - .offset( - 21 as isize, - ) = *g.offset(17 as isize) - * (xixj + *c0x.offset(1 as isize)) - + *c0x.offset(1 as isize) * 2 as f64 - * *b10.offset(1 as isize); - *g - .offset( - 22 as isize, - ) = *g.offset(18 as isize) - * (xixj + *c0x.offset(2 as isize)) - + *c0x.offset(2 as isize) * 2 as f64 - * *b10.offset(2 as isize); - *g - .offset( - 23 as isize, - ) = *g.offset(19 as isize) - * (xixj + *c0x.offset(3 as isize)) - + *c0x.offset(3 as isize) * 2 as f64 - * *b10.offset(3 as isize); - *g - .offset( - 12 as isize, - ) = *c0x.offset(0 as isize) - * (xixj + *c0x.offset(0 as isize)) - + *b10.offset(0 as isize); - *g - .offset( - 13 as isize, - ) = *c0x.offset(1 as isize) - * (xixj + *c0x.offset(1 as isize)) - + *b10.offset(1 as isize); - *g - .offset( - 14 as isize, - ) = *c0x.offset(2 as isize) - * (xixj + *c0x.offset(2 as isize)) - + *b10.offset(2 as isize); - *g - .offset( - 15 as isize, - ) = *c0x.offset(3 as isize) - * (xixj + *c0x.offset(3 as isize)) - + *b10.offset(3 as isize); + *g.offset(16 as isize) = + *c0x.offset(0 as isize) * *c0x.offset(0 as isize) + *b10.offset(0 as isize); + *g.offset(17 as isize) = + *c0x.offset(1 as isize) * *c0x.offset(1 as isize) + *b10.offset(1 as isize); + *g.offset(18 as isize) = + *c0x.offset(2 as isize) * *c0x.offset(2 as isize) + *b10.offset(2 as isize); + *g.offset(19 as isize) = + *c0x.offset(3 as isize) * *c0x.offset(3 as isize) + *b10.offset(3 as isize); + *g.offset(20 as isize) = *g.offset(16 as isize) * (xixj + *c0x.offset(0 as isize)) + + *c0x.offset(0 as isize) * 2 as f64 * *b10.offset(0 as isize); + *g.offset(21 as isize) = *g.offset(17 as isize) * (xixj + *c0x.offset(1 as isize)) + + *c0x.offset(1 as isize) * 2 as f64 * *b10.offset(1 as isize); + *g.offset(22 as isize) = *g.offset(18 as isize) * (xixj + *c0x.offset(2 as isize)) + + *c0x.offset(2 as isize) * 2 as f64 * *b10.offset(2 as isize); + *g.offset(23 as isize) = *g.offset(19 as isize) * (xixj + *c0x.offset(3 as isize)) + + *c0x.offset(3 as isize) * 2 as f64 * *b10.offset(3 as isize); + *g.offset(12 as isize) = + *c0x.offset(0 as isize) * (xixj + *c0x.offset(0 as isize)) + *b10.offset(0 as isize); + *g.offset(13 as isize) = + *c0x.offset(1 as isize) * (xixj + *c0x.offset(1 as isize)) + *b10.offset(1 as isize); + *g.offset(14 as isize) = + *c0x.offset(2 as isize) * (xixj + *c0x.offset(2 as isize)) + *b10.offset(2 as isize); + *g.offset(15 as isize) = + *c0x.offset(3 as isize) * (xixj + *c0x.offset(3 as isize)) + *b10.offset(3 as isize); *g.offset(4 as isize) = xixj + *c0x.offset(0 as isize); *g.offset(5 as isize) = xixj + *c0x.offset(1 as isize); *g.offset(6 as isize) = xixj + *c0x.offset(2 as isize); @@ -11931,214 +5560,66 @@ unsafe extern "C" fn _srg0_2d4d_1200( *g.offset(41 as isize) = *c0y.offset(1 as isize); *g.offset(42 as isize) = *c0y.offset(2 as isize); *g.offset(43 as isize) = *c0y.offset(3 as isize); - *g - .offset( - 48 as isize, - ) = *c0y.offset(0 as isize) - * *c0y.offset(0 as isize) - + *b10.offset(0 as isize); - *g - .offset( - 49 as isize, - ) = *c0y.offset(1 as isize) - * *c0y.offset(1 as isize) - + *b10.offset(1 as isize); - *g - .offset( - 50 as isize, - ) = *c0y.offset(2 as isize) - * *c0y.offset(2 as isize) - + *b10.offset(2 as isize); - *g - .offset( - 51 as isize, - ) = *c0y.offset(3 as isize) - * *c0y.offset(3 as isize) - + *b10.offset(3 as isize); - *g - .offset( - 52 as isize, - ) = *g.offset(48 as isize) - * (yiyj + *c0y.offset(0 as isize)) - + *c0y.offset(0 as isize) * 2 as f64 - * *b10.offset(0 as isize); - *g - .offset( - 53 as isize, - ) = *g.offset(49 as isize) - * (yiyj + *c0y.offset(1 as isize)) - + *c0y.offset(1 as isize) * 2 as f64 - * *b10.offset(1 as isize); - *g - .offset( - 54 as isize, - ) = *g.offset(50 as isize) - * (yiyj + *c0y.offset(2 as isize)) - + *c0y.offset(2 as isize) * 2 as f64 - * *b10.offset(2 as isize); - *g - .offset( - 55 as isize, - ) = *g.offset(51 as isize) - * (yiyj + *c0y.offset(3 as isize)) - + *c0y.offset(3 as isize) * 2 as f64 - * *b10.offset(3 as isize); - *g - .offset( - 44 as isize, - ) = *c0y.offset(0 as isize) - * (yiyj + *c0y.offset(0 as isize)) - + *b10.offset(0 as isize); - *g - .offset( - 45 as isize, - ) = *c0y.offset(1 as isize) - * (yiyj + *c0y.offset(1 as isize)) - + *b10.offset(1 as isize); - *g - .offset( - 46 as isize, - ) = *c0y.offset(2 as isize) - * (yiyj + *c0y.offset(2 as isize)) - + *b10.offset(2 as isize); - *g - .offset( - 47 as isize, - ) = *c0y.offset(3 as isize) - * (yiyj + *c0y.offset(3 as isize)) - + *b10.offset(3 as isize); - *g - .offset( - 36 as isize, - ) = yiyj + *c0y.offset(0 as isize); - *g - .offset( - 37 as isize, - ) = yiyj + *c0y.offset(1 as isize); - *g - .offset( - 38 as isize, - ) = yiyj + *c0y.offset(2 as isize); - *g - .offset( - 39 as isize, - ) = yiyj + *c0y.offset(3 as isize); - *g - .offset( - 72 as isize, - ) = *c0z.offset(0 as isize) - * *g.offset(64 as isize); - *g - .offset( - 73 as isize, - ) = *c0z.offset(1 as isize) - * *g.offset(65 as isize); - *g - .offset( - 74 as isize, - ) = *c0z.offset(2 as isize) - * *g.offset(66 as isize); - *g - .offset( - 75 as isize, - ) = *c0z.offset(3 as isize) - * *g.offset(67 as isize); - *g - .offset( - 80 as isize, - ) = *c0z.offset(0 as isize) - * *g.offset(72 as isize) + *g.offset(48 as isize) = + *c0y.offset(0 as isize) * *c0y.offset(0 as isize) + *b10.offset(0 as isize); + *g.offset(49 as isize) = + *c0y.offset(1 as isize) * *c0y.offset(1 as isize) + *b10.offset(1 as isize); + *g.offset(50 as isize) = + *c0y.offset(2 as isize) * *c0y.offset(2 as isize) + *b10.offset(2 as isize); + *g.offset(51 as isize) = + *c0y.offset(3 as isize) * *c0y.offset(3 as isize) + *b10.offset(3 as isize); + *g.offset(52 as isize) = *g.offset(48 as isize) * (yiyj + *c0y.offset(0 as isize)) + + *c0y.offset(0 as isize) * 2 as f64 * *b10.offset(0 as isize); + *g.offset(53 as isize) = *g.offset(49 as isize) * (yiyj + *c0y.offset(1 as isize)) + + *c0y.offset(1 as isize) * 2 as f64 * *b10.offset(1 as isize); + *g.offset(54 as isize) = *g.offset(50 as isize) * (yiyj + *c0y.offset(2 as isize)) + + *c0y.offset(2 as isize) * 2 as f64 * *b10.offset(2 as isize); + *g.offset(55 as isize) = *g.offset(51 as isize) * (yiyj + *c0y.offset(3 as isize)) + + *c0y.offset(3 as isize) * 2 as f64 * *b10.offset(3 as isize); + *g.offset(44 as isize) = + *c0y.offset(0 as isize) * (yiyj + *c0y.offset(0 as isize)) + *b10.offset(0 as isize); + *g.offset(45 as isize) = + *c0y.offset(1 as isize) * (yiyj + *c0y.offset(1 as isize)) + *b10.offset(1 as isize); + *g.offset(46 as isize) = + *c0y.offset(2 as isize) * (yiyj + *c0y.offset(2 as isize)) + *b10.offset(2 as isize); + *g.offset(47 as isize) = + *c0y.offset(3 as isize) * (yiyj + *c0y.offset(3 as isize)) + *b10.offset(3 as isize); + *g.offset(36 as isize) = yiyj + *c0y.offset(0 as isize); + *g.offset(37 as isize) = yiyj + *c0y.offset(1 as isize); + *g.offset(38 as isize) = yiyj + *c0y.offset(2 as isize); + *g.offset(39 as isize) = yiyj + *c0y.offset(3 as isize); + *g.offset(72 as isize) = *c0z.offset(0 as isize) * *g.offset(64 as isize); + *g.offset(73 as isize) = *c0z.offset(1 as isize) * *g.offset(65 as isize); + *g.offset(74 as isize) = *c0z.offset(2 as isize) * *g.offset(66 as isize); + *g.offset(75 as isize) = *c0z.offset(3 as isize) * *g.offset(67 as isize); + *g.offset(80 as isize) = *c0z.offset(0 as isize) * *g.offset(72 as isize) + *b10.offset(0 as isize) * *g.offset(64 as isize); - *g - .offset( - 81 as isize, - ) = *c0z.offset(1 as isize) - * *g.offset(73 as isize) + *g.offset(81 as isize) = *c0z.offset(1 as isize) * *g.offset(73 as isize) + *b10.offset(1 as isize) * *g.offset(65 as isize); - *g - .offset( - 82 as isize, - ) = *c0z.offset(2 as isize) - * *g.offset(74 as isize) + *g.offset(82 as isize) = *c0z.offset(2 as isize) * *g.offset(74 as isize) + *b10.offset(2 as isize) * *g.offset(66 as isize); - *g - .offset( - 83 as isize, - ) = *c0z.offset(3 as isize) - * *g.offset(75 as isize) + *g.offset(83 as isize) = *c0z.offset(3 as isize) * *g.offset(75 as isize) + *b10.offset(3 as isize) * *g.offset(67 as isize); - *g - .offset( - 84 as isize, - ) = *g.offset(80 as isize) - * (zizj + *c0z.offset(0 as isize)) - + 2 as f64 * *b10.offset(0 as isize) - * *g.offset(72 as isize); - *g - .offset( - 85 as isize, - ) = *g.offset(81 as isize) - * (zizj + *c0z.offset(1 as isize)) - + 2 as f64 * *b10.offset(1 as isize) - * *g.offset(73 as isize); - *g - .offset( - 86 as isize, - ) = *g.offset(82 as isize) - * (zizj + *c0z.offset(2 as isize)) - + 2 as f64 * *b10.offset(2 as isize) - * *g.offset(74 as isize); - *g - .offset( - 87 as isize, - ) = *g.offset(83 as isize) - * (zizj + *c0z.offset(3 as isize)) - + 2 as f64 * *b10.offset(3 as isize) - * *g.offset(75 as isize); - *g - .offset( - 76 as isize, - ) = *g.offset(72 as isize) - * (zizj + *c0z.offset(0 as isize)) + *g.offset(84 as isize) = *g.offset(80 as isize) * (zizj + *c0z.offset(0 as isize)) + + 2 as f64 * *b10.offset(0 as isize) * *g.offset(72 as isize); + *g.offset(85 as isize) = *g.offset(81 as isize) * (zizj + *c0z.offset(1 as isize)) + + 2 as f64 * *b10.offset(1 as isize) * *g.offset(73 as isize); + *g.offset(86 as isize) = *g.offset(82 as isize) * (zizj + *c0z.offset(2 as isize)) + + 2 as f64 * *b10.offset(2 as isize) * *g.offset(74 as isize); + *g.offset(87 as isize) = *g.offset(83 as isize) * (zizj + *c0z.offset(3 as isize)) + + 2 as f64 * *b10.offset(3 as isize) * *g.offset(75 as isize); + *g.offset(76 as isize) = *g.offset(72 as isize) * (zizj + *c0z.offset(0 as isize)) + *b10.offset(0 as isize) * *g.offset(64 as isize); - *g - .offset( - 77 as isize, - ) = *g.offset(73 as isize) - * (zizj + *c0z.offset(1 as isize)) + *g.offset(77 as isize) = *g.offset(73 as isize) * (zizj + *c0z.offset(1 as isize)) + *b10.offset(1 as isize) * *g.offset(65 as isize); - *g - .offset( - 78 as isize, - ) = *g.offset(74 as isize) - * (zizj + *c0z.offset(2 as isize)) + *g.offset(78 as isize) = *g.offset(74 as isize) * (zizj + *c0z.offset(2 as isize)) + *b10.offset(2 as isize) * *g.offset(66 as isize); - *g - .offset( - 79 as isize, - ) = *g.offset(75 as isize) - * (zizj + *c0z.offset(3 as isize)) + *g.offset(79 as isize) = *g.offset(75 as isize) * (zizj + *c0z.offset(3 as isize)) + *b10.offset(3 as isize) * *g.offset(67 as isize); - *g - .offset( - 68 as isize, - ) = *g.offset(64 as isize) - * (zizj + *c0z.offset(0 as isize)); - *g - .offset( - 69 as isize, - ) = *g.offset(65 as isize) - * (zizj + *c0z.offset(1 as isize)); - *g - .offset( - 70 as isize, - ) = *g.offset(66 as isize) - * (zizj + *c0z.offset(2 as isize)); - *g - .offset( - 71 as isize, - ) = *g.offset(67 as isize) - * (zizj + *c0z.offset(3 as isize)); + *g.offset(68 as isize) = *g.offset(64 as isize) * (zizj + *c0z.offset(0 as isize)); + *g.offset(69 as isize) = *g.offset(65 as isize) * (zizj + *c0z.offset(1 as isize)); + *g.offset(70 as isize) = *g.offset(66 as isize) * (zizj + *c0z.offset(2 as isize)); + *g.offset(71 as isize) = *g.offset(67 as isize) * (zizj + *c0z.offset(3 as isize)); } #[inline] unsafe extern "C" fn _srg0_2d4d_2000( @@ -12158,30 +5639,14 @@ unsafe extern "C" fn _srg0_2d4d_2000( *g.offset(5 as isize) = *c0x.offset(1 as isize); *g.offset(6 as isize) = *c0x.offset(2 as isize); *g.offset(7 as isize) = *c0x.offset(3 as isize); - *g - .offset( - 8 as isize, - ) = *c0x.offset(0 as isize) - * *c0x.offset(0 as isize) - + *b10.offset(0 as isize); - *g - .offset( - 9 as isize, - ) = *c0x.offset(1 as isize) - * *c0x.offset(1 as isize) - + *b10.offset(1 as isize); - *g - .offset( - 10 as isize, - ) = *c0x.offset(2 as isize) - * *c0x.offset(2 as isize) - + *b10.offset(2 as isize); - *g - .offset( - 11 as isize, - ) = *c0x.offset(3 as isize) - * *c0x.offset(3 as isize) - + *b10.offset(3 as isize); + *g.offset(8 as isize) = + *c0x.offset(0 as isize) * *c0x.offset(0 as isize) + *b10.offset(0 as isize); + *g.offset(9 as isize) = + *c0x.offset(1 as isize) * *c0x.offset(1 as isize) + *b10.offset(1 as isize); + *g.offset(10 as isize) = + *c0x.offset(2 as isize) * *c0x.offset(2 as isize) + *b10.offset(2 as isize); + *g.offset(11 as isize) = + *c0x.offset(3 as isize) * *c0x.offset(3 as isize) + *b10.offset(3 as isize); *g.offset(12 as isize) = 1 as f64; *g.offset(13 as isize) = 1 as f64; *g.offset(14 as isize) = 1 as f64; @@ -12190,73 +5655,25 @@ unsafe extern "C" fn _srg0_2d4d_2000( *g.offset(17 as isize) = *c0y.offset(1 as isize); *g.offset(18 as isize) = *c0y.offset(2 as isize); *g.offset(19 as isize) = *c0y.offset(3 as isize); - *g - .offset( - 20 as isize, - ) = *c0y.offset(0 as isize) - * *c0y.offset(0 as isize) - + *b10.offset(0 as isize); - *g - .offset( - 21 as isize, - ) = *c0y.offset(1 as isize) - * *c0y.offset(1 as isize) - + *b10.offset(1 as isize); - *g - .offset( - 22 as isize, - ) = *c0y.offset(2 as isize) - * *c0y.offset(2 as isize) - + *b10.offset(2 as isize); - *g - .offset( - 23 as isize, - ) = *c0y.offset(3 as isize) - * *c0y.offset(3 as isize) - + *b10.offset(3 as isize); - *g - .offset( - 28 as isize, - ) = *c0z.offset(0 as isize) - * *g.offset(24 as isize); - *g - .offset( - 29 as isize, - ) = *c0z.offset(1 as isize) - * *g.offset(25 as isize); - *g - .offset( - 30 as isize, - ) = *c0z.offset(2 as isize) - * *g.offset(26 as isize); - *g - .offset( - 31 as isize, - ) = *c0z.offset(3 as isize) - * *g.offset(27 as isize); - *g - .offset( - 32 as isize, - ) = *c0z.offset(0 as isize) - * *g.offset(28 as isize) + *g.offset(20 as isize) = + *c0y.offset(0 as isize) * *c0y.offset(0 as isize) + *b10.offset(0 as isize); + *g.offset(21 as isize) = + *c0y.offset(1 as isize) * *c0y.offset(1 as isize) + *b10.offset(1 as isize); + *g.offset(22 as isize) = + *c0y.offset(2 as isize) * *c0y.offset(2 as isize) + *b10.offset(2 as isize); + *g.offset(23 as isize) = + *c0y.offset(3 as isize) * *c0y.offset(3 as isize) + *b10.offset(3 as isize); + *g.offset(28 as isize) = *c0z.offset(0 as isize) * *g.offset(24 as isize); + *g.offset(29 as isize) = *c0z.offset(1 as isize) * *g.offset(25 as isize); + *g.offset(30 as isize) = *c0z.offset(2 as isize) * *g.offset(26 as isize); + *g.offset(31 as isize) = *c0z.offset(3 as isize) * *g.offset(27 as isize); + *g.offset(32 as isize) = *c0z.offset(0 as isize) * *g.offset(28 as isize) + *b10.offset(0 as isize) * *g.offset(24 as isize); - *g - .offset( - 33 as isize, - ) = *c0z.offset(1 as isize) - * *g.offset(29 as isize) + *g.offset(33 as isize) = *c0z.offset(1 as isize) * *g.offset(29 as isize) + *b10.offset(1 as isize) * *g.offset(25 as isize); - *g - .offset( - 34 as isize, - ) = *c0z.offset(2 as isize) - * *g.offset(30 as isize) + *g.offset(34 as isize) = *c0z.offset(2 as isize) * *g.offset(30 as isize) + *b10.offset(2 as isize) * *g.offset(26 as isize); - *g - .offset( - 35 as isize, - ) = *c0z.offset(3 as isize) - * *g.offset(31 as isize) + *g.offset(35 as isize) = *c0z.offset(3 as isize) * *g.offset(31 as isize) + *b10.offset(3 as isize) * *g.offset(27 as isize); } #[inline] @@ -12281,90 +5698,38 @@ unsafe extern "C" fn _srg0_2d4d_2001( *g.offset(5 as isize) = *c0x.offset(1 as isize); *g.offset(6 as isize) = *c0x.offset(2 as isize); *g.offset(7 as isize) = *c0x.offset(3 as isize); - *g - .offset( - 8 as isize, - ) = *c0x.offset(0 as isize) - * *c0x.offset(0 as isize) - + *b10.offset(0 as isize); - *g - .offset( - 9 as isize, - ) = *c0x.offset(1 as isize) - * *c0x.offset(1 as isize) - + *b10.offset(1 as isize); - *g - .offset( - 10 as isize, - ) = *c0x.offset(2 as isize) - * *c0x.offset(2 as isize) - + *b10.offset(2 as isize); - *g - .offset( - 11 as isize, - ) = *c0x.offset(3 as isize) - * *c0x.offset(3 as isize) - + *b10.offset(3 as isize); + *g.offset(8 as isize) = + *c0x.offset(0 as isize) * *c0x.offset(0 as isize) + *b10.offset(0 as isize); + *g.offset(9 as isize) = + *c0x.offset(1 as isize) * *c0x.offset(1 as isize) + *b10.offset(1 as isize); + *g.offset(10 as isize) = + *c0x.offset(2 as isize) * *c0x.offset(2 as isize) + *b10.offset(2 as isize); + *g.offset(11 as isize) = + *c0x.offset(3 as isize) * *c0x.offset(3 as isize) + *b10.offset(3 as isize); *g.offset(12 as isize) = *cpx.offset(0 as isize); *g.offset(13 as isize) = *cpx.offset(1 as isize); *g.offset(14 as isize) = *cpx.offset(2 as isize); *g.offset(15 as isize) = *cpx.offset(3 as isize); - *g - .offset( - 16 as isize, - ) = *cpx.offset(0 as isize) - * *c0x.offset(0 as isize) - + *b00.offset(0 as isize); - *g - .offset( - 17 as isize, - ) = *cpx.offset(1 as isize) - * *c0x.offset(1 as isize) - + *b00.offset(1 as isize); - *g - .offset( - 18 as isize, - ) = *cpx.offset(2 as isize) - * *c0x.offset(2 as isize) - + *b00.offset(2 as isize); - *g - .offset( - 19 as isize, - ) = *cpx.offset(3 as isize) - * *c0x.offset(3 as isize) - + *b00.offset(3 as isize); - *g - .offset( - 20 as isize, - ) = *c0x.offset(0 as isize) - * (*g.offset(16 as isize) - + *b00.offset(0 as isize)) - + *b10.offset(0 as isize) - * *cpx.offset(0 as isize); - *g - .offset( - 21 as isize, - ) = *c0x.offset(1 as isize) - * (*g.offset(17 as isize) - + *b00.offset(1 as isize)) - + *b10.offset(1 as isize) - * *cpx.offset(1 as isize); - *g - .offset( - 22 as isize, - ) = *c0x.offset(2 as isize) - * (*g.offset(18 as isize) - + *b00.offset(2 as isize)) - + *b10.offset(2 as isize) - * *cpx.offset(2 as isize); - *g - .offset( - 23 as isize, - ) = *c0x.offset(3 as isize) - * (*g.offset(19 as isize) - + *b00.offset(3 as isize)) - + *b10.offset(3 as isize) - * *cpx.offset(3 as isize); + *g.offset(16 as isize) = + *cpx.offset(0 as isize) * *c0x.offset(0 as isize) + *b00.offset(0 as isize); + *g.offset(17 as isize) = + *cpx.offset(1 as isize) * *c0x.offset(1 as isize) + *b00.offset(1 as isize); + *g.offset(18 as isize) = + *cpx.offset(2 as isize) * *c0x.offset(2 as isize) + *b00.offset(2 as isize); + *g.offset(19 as isize) = + *cpx.offset(3 as isize) * *c0x.offset(3 as isize) + *b00.offset(3 as isize); + *g.offset(20 as isize) = *c0x.offset(0 as isize) + * (*g.offset(16 as isize) + *b00.offset(0 as isize)) + + *b10.offset(0 as isize) * *cpx.offset(0 as isize); + *g.offset(21 as isize) = *c0x.offset(1 as isize) + * (*g.offset(17 as isize) + *b00.offset(1 as isize)) + + *b10.offset(1 as isize) * *cpx.offset(1 as isize); + *g.offset(22 as isize) = *c0x.offset(2 as isize) + * (*g.offset(18 as isize) + *b00.offset(2 as isize)) + + *b10.offset(2 as isize) * *cpx.offset(2 as isize); + *g.offset(23 as isize) = *c0x.offset(3 as isize) + * (*g.offset(19 as isize) + *b00.offset(3 as isize)) + + *b10.offset(3 as isize) * *cpx.offset(3 as isize); *g.offset(24 as isize) = 1 as f64; *g.offset(25 as isize) = 1 as f64; *g.offset(26 as isize) = 1 as f64; @@ -12373,204 +5738,72 @@ unsafe extern "C" fn _srg0_2d4d_2001( *g.offset(29 as isize) = *c0y.offset(1 as isize); *g.offset(30 as isize) = *c0y.offset(2 as isize); *g.offset(31 as isize) = *c0y.offset(3 as isize); - *g - .offset( - 32 as isize, - ) = *c0y.offset(0 as isize) - * *c0y.offset(0 as isize) - + *b10.offset(0 as isize); - *g - .offset( - 33 as isize, - ) = *c0y.offset(1 as isize) - * *c0y.offset(1 as isize) - + *b10.offset(1 as isize); - *g - .offset( - 34 as isize, - ) = *c0y.offset(2 as isize) - * *c0y.offset(2 as isize) - + *b10.offset(2 as isize); - *g - .offset( - 35 as isize, - ) = *c0y.offset(3 as isize) - * *c0y.offset(3 as isize) - + *b10.offset(3 as isize); + *g.offset(32 as isize) = + *c0y.offset(0 as isize) * *c0y.offset(0 as isize) + *b10.offset(0 as isize); + *g.offset(33 as isize) = + *c0y.offset(1 as isize) * *c0y.offset(1 as isize) + *b10.offset(1 as isize); + *g.offset(34 as isize) = + *c0y.offset(2 as isize) * *c0y.offset(2 as isize) + *b10.offset(2 as isize); + *g.offset(35 as isize) = + *c0y.offset(3 as isize) * *c0y.offset(3 as isize) + *b10.offset(3 as isize); *g.offset(36 as isize) = *cpy.offset(0 as isize); *g.offset(37 as isize) = *cpy.offset(1 as isize); *g.offset(38 as isize) = *cpy.offset(2 as isize); *g.offset(39 as isize) = *cpy.offset(3 as isize); - *g - .offset( - 40 as isize, - ) = *cpy.offset(0 as isize) - * *c0y.offset(0 as isize) - + *b00.offset(0 as isize); - *g - .offset( - 41 as isize, - ) = *cpy.offset(1 as isize) - * *c0y.offset(1 as isize) - + *b00.offset(1 as isize); - *g - .offset( - 42 as isize, - ) = *cpy.offset(2 as isize) - * *c0y.offset(2 as isize) - + *b00.offset(2 as isize); - *g - .offset( - 43 as isize, - ) = *cpy.offset(3 as isize) - * *c0y.offset(3 as isize) - + *b00.offset(3 as isize); - *g - .offset( - 44 as isize, - ) = *c0y.offset(0 as isize) - * (*g.offset(40 as isize) - + *b00.offset(0 as isize)) - + *b10.offset(0 as isize) - * *cpy.offset(0 as isize); - *g - .offset( - 45 as isize, - ) = *c0y.offset(1 as isize) - * (*g.offset(41 as isize) - + *b00.offset(1 as isize)) - + *b10.offset(1 as isize) - * *cpy.offset(1 as isize); - *g - .offset( - 46 as isize, - ) = *c0y.offset(2 as isize) - * (*g.offset(42 as isize) - + *b00.offset(2 as isize)) - + *b10.offset(2 as isize) - * *cpy.offset(2 as isize); - *g - .offset( - 47 as isize, - ) = *c0y.offset(3 as isize) - * (*g.offset(43 as isize) - + *b00.offset(3 as isize)) - + *b10.offset(3 as isize) - * *cpy.offset(3 as isize); - *g - .offset( - 52 as isize, - ) = *c0z.offset(0 as isize) - * *g.offset(48 as isize); - *g - .offset( - 53 as isize, - ) = *c0z.offset(1 as isize) - * *g.offset(49 as isize); - *g - .offset( - 54 as isize, - ) = *c0z.offset(2 as isize) - * *g.offset(50 as isize); - *g - .offset( - 55 as isize, - ) = *c0z.offset(3 as isize) - * *g.offset(51 as isize); - *g - .offset( - 56 as isize, - ) = *c0z.offset(0 as isize) - * *g.offset(52 as isize) + *g.offset(40 as isize) = + *cpy.offset(0 as isize) * *c0y.offset(0 as isize) + *b00.offset(0 as isize); + *g.offset(41 as isize) = + *cpy.offset(1 as isize) * *c0y.offset(1 as isize) + *b00.offset(1 as isize); + *g.offset(42 as isize) = + *cpy.offset(2 as isize) * *c0y.offset(2 as isize) + *b00.offset(2 as isize); + *g.offset(43 as isize) = + *cpy.offset(3 as isize) * *c0y.offset(3 as isize) + *b00.offset(3 as isize); + *g.offset(44 as isize) = *c0y.offset(0 as isize) + * (*g.offset(40 as isize) + *b00.offset(0 as isize)) + + *b10.offset(0 as isize) * *cpy.offset(0 as isize); + *g.offset(45 as isize) = *c0y.offset(1 as isize) + * (*g.offset(41 as isize) + *b00.offset(1 as isize)) + + *b10.offset(1 as isize) * *cpy.offset(1 as isize); + *g.offset(46 as isize) = *c0y.offset(2 as isize) + * (*g.offset(42 as isize) + *b00.offset(2 as isize)) + + *b10.offset(2 as isize) * *cpy.offset(2 as isize); + *g.offset(47 as isize) = *c0y.offset(3 as isize) + * (*g.offset(43 as isize) + *b00.offset(3 as isize)) + + *b10.offset(3 as isize) * *cpy.offset(3 as isize); + *g.offset(52 as isize) = *c0z.offset(0 as isize) * *g.offset(48 as isize); + *g.offset(53 as isize) = *c0z.offset(1 as isize) * *g.offset(49 as isize); + *g.offset(54 as isize) = *c0z.offset(2 as isize) * *g.offset(50 as isize); + *g.offset(55 as isize) = *c0z.offset(3 as isize) * *g.offset(51 as isize); + *g.offset(56 as isize) = *c0z.offset(0 as isize) * *g.offset(52 as isize) + *b10.offset(0 as isize) * *g.offset(48 as isize); - *g - .offset( - 57 as isize, - ) = *c0z.offset(1 as isize) - * *g.offset(53 as isize) + *g.offset(57 as isize) = *c0z.offset(1 as isize) * *g.offset(53 as isize) + *b10.offset(1 as isize) * *g.offset(49 as isize); - *g - .offset( - 58 as isize, - ) = *c0z.offset(2 as isize) - * *g.offset(54 as isize) + *g.offset(58 as isize) = *c0z.offset(2 as isize) * *g.offset(54 as isize) + *b10.offset(2 as isize) * *g.offset(50 as isize); - *g - .offset( - 59 as isize, - ) = *c0z.offset(3 as isize) - * *g.offset(55 as isize) + *g.offset(59 as isize) = *c0z.offset(3 as isize) * *g.offset(55 as isize) + *b10.offset(3 as isize) * *g.offset(51 as isize); - *g - .offset( - 60 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(48 as isize); - *g - .offset( - 61 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(49 as isize); - *g - .offset( - 62 as isize, - ) = *cpz.offset(2 as isize) - * *g.offset(50 as isize); - *g - .offset( - 63 as isize, - ) = *cpz.offset(3 as isize) - * *g.offset(51 as isize); - *g - .offset( - 64 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(52 as isize) + *g.offset(60 as isize) = *cpz.offset(0 as isize) * *g.offset(48 as isize); + *g.offset(61 as isize) = *cpz.offset(1 as isize) * *g.offset(49 as isize); + *g.offset(62 as isize) = *cpz.offset(2 as isize) * *g.offset(50 as isize); + *g.offset(63 as isize) = *cpz.offset(3 as isize) * *g.offset(51 as isize); + *g.offset(64 as isize) = *cpz.offset(0 as isize) * *g.offset(52 as isize) + *b00.offset(0 as isize) * *g.offset(48 as isize); - *g - .offset( - 65 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(53 as isize) + *g.offset(65 as isize) = *cpz.offset(1 as isize) * *g.offset(53 as isize) + *b00.offset(1 as isize) * *g.offset(49 as isize); - *g - .offset( - 66 as isize, - ) = *cpz.offset(2 as isize) - * *g.offset(54 as isize) + *g.offset(66 as isize) = *cpz.offset(2 as isize) * *g.offset(54 as isize) + *b00.offset(2 as isize) * *g.offset(50 as isize); - *g - .offset( - 67 as isize, - ) = *cpz.offset(3 as isize) - * *g.offset(55 as isize) + *g.offset(67 as isize) = *cpz.offset(3 as isize) * *g.offset(55 as isize) + *b00.offset(3 as isize) * *g.offset(51 as isize); - *g - .offset( - 68 as isize, - ) = *c0z.offset(0 as isize) - * *g.offset(64 as isize) + *g.offset(68 as isize) = *c0z.offset(0 as isize) * *g.offset(64 as isize) + *b10.offset(0 as isize) * *g.offset(60 as isize) + *b00.offset(0 as isize) * *g.offset(52 as isize); - *g - .offset( - 69 as isize, - ) = *c0z.offset(1 as isize) - * *g.offset(65 as isize) + *g.offset(69 as isize) = *c0z.offset(1 as isize) * *g.offset(65 as isize) + *b10.offset(1 as isize) * *g.offset(61 as isize) + *b00.offset(1 as isize) * *g.offset(53 as isize); - *g - .offset( - 70 as isize, - ) = *c0z.offset(2 as isize) - * *g.offset(66 as isize) + *g.offset(70 as isize) = *c0z.offset(2 as isize) * *g.offset(66 as isize) + *b10.offset(2 as isize) * *g.offset(62 as isize) + *b00.offset(2 as isize) * *g.offset(54 as isize); - *g - .offset( - 71 as isize, - ) = *c0z.offset(3 as isize) - * *g.offset(67 as isize) + *g.offset(71 as isize) = *c0z.offset(3 as isize) * *g.offset(67 as isize) + *b10.offset(3 as isize) * *g.offset(63 as isize) + *b00.offset(3 as isize) * *g.offset(55 as isize); } @@ -12596,90 +5829,38 @@ unsafe extern "C" fn _srg0_2d4d_2010( *g.offset(5 as isize) = *c0x.offset(1 as isize); *g.offset(6 as isize) = *c0x.offset(2 as isize); *g.offset(7 as isize) = *c0x.offset(3 as isize); - *g - .offset( - 8 as isize, - ) = *c0x.offset(0 as isize) - * *c0x.offset(0 as isize) - + *b10.offset(0 as isize); - *g - .offset( - 9 as isize, - ) = *c0x.offset(1 as isize) - * *c0x.offset(1 as isize) - + *b10.offset(1 as isize); - *g - .offset( - 10 as isize, - ) = *c0x.offset(2 as isize) - * *c0x.offset(2 as isize) - + *b10.offset(2 as isize); - *g - .offset( - 11 as isize, - ) = *c0x.offset(3 as isize) - * *c0x.offset(3 as isize) - + *b10.offset(3 as isize); + *g.offset(8 as isize) = + *c0x.offset(0 as isize) * *c0x.offset(0 as isize) + *b10.offset(0 as isize); + *g.offset(9 as isize) = + *c0x.offset(1 as isize) * *c0x.offset(1 as isize) + *b10.offset(1 as isize); + *g.offset(10 as isize) = + *c0x.offset(2 as isize) * *c0x.offset(2 as isize) + *b10.offset(2 as isize); + *g.offset(11 as isize) = + *c0x.offset(3 as isize) * *c0x.offset(3 as isize) + *b10.offset(3 as isize); *g.offset(12 as isize) = *cpx.offset(0 as isize); *g.offset(13 as isize) = *cpx.offset(1 as isize); *g.offset(14 as isize) = *cpx.offset(2 as isize); *g.offset(15 as isize) = *cpx.offset(3 as isize); - *g - .offset( - 16 as isize, - ) = *cpx.offset(0 as isize) - * *c0x.offset(0 as isize) - + *b00.offset(0 as isize); - *g - .offset( - 17 as isize, - ) = *cpx.offset(1 as isize) - * *c0x.offset(1 as isize) - + *b00.offset(1 as isize); - *g - .offset( - 18 as isize, - ) = *cpx.offset(2 as isize) - * *c0x.offset(2 as isize) - + *b00.offset(2 as isize); - *g - .offset( - 19 as isize, - ) = *cpx.offset(3 as isize) - * *c0x.offset(3 as isize) - + *b00.offset(3 as isize); - *g - .offset( - 20 as isize, - ) = *c0x.offset(0 as isize) - * (*g.offset(16 as isize) - + *b00.offset(0 as isize)) - + *b10.offset(0 as isize) - * *cpx.offset(0 as isize); - *g - .offset( - 21 as isize, - ) = *c0x.offset(1 as isize) - * (*g.offset(17 as isize) - + *b00.offset(1 as isize)) - + *b10.offset(1 as isize) - * *cpx.offset(1 as isize); - *g - .offset( - 22 as isize, - ) = *c0x.offset(2 as isize) - * (*g.offset(18 as isize) - + *b00.offset(2 as isize)) - + *b10.offset(2 as isize) - * *cpx.offset(2 as isize); - *g - .offset( - 23 as isize, - ) = *c0x.offset(3 as isize) - * (*g.offset(19 as isize) - + *b00.offset(3 as isize)) - + *b10.offset(3 as isize) - * *cpx.offset(3 as isize); + *g.offset(16 as isize) = + *cpx.offset(0 as isize) * *c0x.offset(0 as isize) + *b00.offset(0 as isize); + *g.offset(17 as isize) = + *cpx.offset(1 as isize) * *c0x.offset(1 as isize) + *b00.offset(1 as isize); + *g.offset(18 as isize) = + *cpx.offset(2 as isize) * *c0x.offset(2 as isize) + *b00.offset(2 as isize); + *g.offset(19 as isize) = + *cpx.offset(3 as isize) * *c0x.offset(3 as isize) + *b00.offset(3 as isize); + *g.offset(20 as isize) = *c0x.offset(0 as isize) + * (*g.offset(16 as isize) + *b00.offset(0 as isize)) + + *b10.offset(0 as isize) * *cpx.offset(0 as isize); + *g.offset(21 as isize) = *c0x.offset(1 as isize) + * (*g.offset(17 as isize) + *b00.offset(1 as isize)) + + *b10.offset(1 as isize) * *cpx.offset(1 as isize); + *g.offset(22 as isize) = *c0x.offset(2 as isize) + * (*g.offset(18 as isize) + *b00.offset(2 as isize)) + + *b10.offset(2 as isize) * *cpx.offset(2 as isize); + *g.offset(23 as isize) = *c0x.offset(3 as isize) + * (*g.offset(19 as isize) + *b00.offset(3 as isize)) + + *b10.offset(3 as isize) * *cpx.offset(3 as isize); *g.offset(24 as isize) = 1 as f64; *g.offset(25 as isize) = 1 as f64; *g.offset(26 as isize) = 1 as f64; @@ -12688,204 +5869,72 @@ unsafe extern "C" fn _srg0_2d4d_2010( *g.offset(29 as isize) = *c0y.offset(1 as isize); *g.offset(30 as isize) = *c0y.offset(2 as isize); *g.offset(31 as isize) = *c0y.offset(3 as isize); - *g - .offset( - 32 as isize, - ) = *c0y.offset(0 as isize) - * *c0y.offset(0 as isize) - + *b10.offset(0 as isize); - *g - .offset( - 33 as isize, - ) = *c0y.offset(1 as isize) - * *c0y.offset(1 as isize) - + *b10.offset(1 as isize); - *g - .offset( - 34 as isize, - ) = *c0y.offset(2 as isize) - * *c0y.offset(2 as isize) - + *b10.offset(2 as isize); - *g - .offset( - 35 as isize, - ) = *c0y.offset(3 as isize) - * *c0y.offset(3 as isize) - + *b10.offset(3 as isize); + *g.offset(32 as isize) = + *c0y.offset(0 as isize) * *c0y.offset(0 as isize) + *b10.offset(0 as isize); + *g.offset(33 as isize) = + *c0y.offset(1 as isize) * *c0y.offset(1 as isize) + *b10.offset(1 as isize); + *g.offset(34 as isize) = + *c0y.offset(2 as isize) * *c0y.offset(2 as isize) + *b10.offset(2 as isize); + *g.offset(35 as isize) = + *c0y.offset(3 as isize) * *c0y.offset(3 as isize) + *b10.offset(3 as isize); *g.offset(36 as isize) = *cpy.offset(0 as isize); *g.offset(37 as isize) = *cpy.offset(1 as isize); *g.offset(38 as isize) = *cpy.offset(2 as isize); *g.offset(39 as isize) = *cpy.offset(3 as isize); - *g - .offset( - 40 as isize, - ) = *cpy.offset(0 as isize) - * *c0y.offset(0 as isize) - + *b00.offset(0 as isize); - *g - .offset( - 41 as isize, - ) = *cpy.offset(1 as isize) - * *c0y.offset(1 as isize) - + *b00.offset(1 as isize); - *g - .offset( - 42 as isize, - ) = *cpy.offset(2 as isize) - * *c0y.offset(2 as isize) - + *b00.offset(2 as isize); - *g - .offset( - 43 as isize, - ) = *cpy.offset(3 as isize) - * *c0y.offset(3 as isize) - + *b00.offset(3 as isize); - *g - .offset( - 44 as isize, - ) = *c0y.offset(0 as isize) - * (*g.offset(40 as isize) - + *b00.offset(0 as isize)) - + *b10.offset(0 as isize) - * *cpy.offset(0 as isize); - *g - .offset( - 45 as isize, - ) = *c0y.offset(1 as isize) - * (*g.offset(41 as isize) - + *b00.offset(1 as isize)) - + *b10.offset(1 as isize) - * *cpy.offset(1 as isize); - *g - .offset( - 46 as isize, - ) = *c0y.offset(2 as isize) - * (*g.offset(42 as isize) - + *b00.offset(2 as isize)) - + *b10.offset(2 as isize) - * *cpy.offset(2 as isize); - *g - .offset( - 47 as isize, - ) = *c0y.offset(3 as isize) - * (*g.offset(43 as isize) - + *b00.offset(3 as isize)) - + *b10.offset(3 as isize) - * *cpy.offset(3 as isize); - *g - .offset( - 52 as isize, - ) = *c0z.offset(0 as isize) - * *g.offset(48 as isize); - *g - .offset( - 53 as isize, - ) = *c0z.offset(1 as isize) - * *g.offset(49 as isize); - *g - .offset( - 54 as isize, - ) = *c0z.offset(2 as isize) - * *g.offset(50 as isize); - *g - .offset( - 55 as isize, - ) = *c0z.offset(3 as isize) - * *g.offset(51 as isize); - *g - .offset( - 56 as isize, - ) = *c0z.offset(0 as isize) - * *g.offset(52 as isize) + *g.offset(40 as isize) = + *cpy.offset(0 as isize) * *c0y.offset(0 as isize) + *b00.offset(0 as isize); + *g.offset(41 as isize) = + *cpy.offset(1 as isize) * *c0y.offset(1 as isize) + *b00.offset(1 as isize); + *g.offset(42 as isize) = + *cpy.offset(2 as isize) * *c0y.offset(2 as isize) + *b00.offset(2 as isize); + *g.offset(43 as isize) = + *cpy.offset(3 as isize) * *c0y.offset(3 as isize) + *b00.offset(3 as isize); + *g.offset(44 as isize) = *c0y.offset(0 as isize) + * (*g.offset(40 as isize) + *b00.offset(0 as isize)) + + *b10.offset(0 as isize) * *cpy.offset(0 as isize); + *g.offset(45 as isize) = *c0y.offset(1 as isize) + * (*g.offset(41 as isize) + *b00.offset(1 as isize)) + + *b10.offset(1 as isize) * *cpy.offset(1 as isize); + *g.offset(46 as isize) = *c0y.offset(2 as isize) + * (*g.offset(42 as isize) + *b00.offset(2 as isize)) + + *b10.offset(2 as isize) * *cpy.offset(2 as isize); + *g.offset(47 as isize) = *c0y.offset(3 as isize) + * (*g.offset(43 as isize) + *b00.offset(3 as isize)) + + *b10.offset(3 as isize) * *cpy.offset(3 as isize); + *g.offset(52 as isize) = *c0z.offset(0 as isize) * *g.offset(48 as isize); + *g.offset(53 as isize) = *c0z.offset(1 as isize) * *g.offset(49 as isize); + *g.offset(54 as isize) = *c0z.offset(2 as isize) * *g.offset(50 as isize); + *g.offset(55 as isize) = *c0z.offset(3 as isize) * *g.offset(51 as isize); + *g.offset(56 as isize) = *c0z.offset(0 as isize) * *g.offset(52 as isize) + *b10.offset(0 as isize) * *g.offset(48 as isize); - *g - .offset( - 57 as isize, - ) = *c0z.offset(1 as isize) - * *g.offset(53 as isize) + *g.offset(57 as isize) = *c0z.offset(1 as isize) * *g.offset(53 as isize) + *b10.offset(1 as isize) * *g.offset(49 as isize); - *g - .offset( - 58 as isize, - ) = *c0z.offset(2 as isize) - * *g.offset(54 as isize) + *g.offset(58 as isize) = *c0z.offset(2 as isize) * *g.offset(54 as isize) + *b10.offset(2 as isize) * *g.offset(50 as isize); - *g - .offset( - 59 as isize, - ) = *c0z.offset(3 as isize) - * *g.offset(55 as isize) + *g.offset(59 as isize) = *c0z.offset(3 as isize) * *g.offset(55 as isize) + *b10.offset(3 as isize) * *g.offset(51 as isize); - *g - .offset( - 60 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(48 as isize); - *g - .offset( - 61 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(49 as isize); - *g - .offset( - 62 as isize, - ) = *cpz.offset(2 as isize) - * *g.offset(50 as isize); - *g - .offset( - 63 as isize, - ) = *cpz.offset(3 as isize) - * *g.offset(51 as isize); - *g - .offset( - 64 as isize, - ) = *cpz.offset(0 as isize) - * *g.offset(52 as isize) + *g.offset(60 as isize) = *cpz.offset(0 as isize) * *g.offset(48 as isize); + *g.offset(61 as isize) = *cpz.offset(1 as isize) * *g.offset(49 as isize); + *g.offset(62 as isize) = *cpz.offset(2 as isize) * *g.offset(50 as isize); + *g.offset(63 as isize) = *cpz.offset(3 as isize) * *g.offset(51 as isize); + *g.offset(64 as isize) = *cpz.offset(0 as isize) * *g.offset(52 as isize) + *b00.offset(0 as isize) * *g.offset(48 as isize); - *g - .offset( - 65 as isize, - ) = *cpz.offset(1 as isize) - * *g.offset(53 as isize) + *g.offset(65 as isize) = *cpz.offset(1 as isize) * *g.offset(53 as isize) + *b00.offset(1 as isize) * *g.offset(49 as isize); - *g - .offset( - 66 as isize, - ) = *cpz.offset(2 as isize) - * *g.offset(54 as isize) + *g.offset(66 as isize) = *cpz.offset(2 as isize) * *g.offset(54 as isize) + *b00.offset(2 as isize) * *g.offset(50 as isize); - *g - .offset( - 67 as isize, - ) = *cpz.offset(3 as isize) - * *g.offset(55 as isize) + *g.offset(67 as isize) = *cpz.offset(3 as isize) * *g.offset(55 as isize) + *b00.offset(3 as isize) * *g.offset(51 as isize); - *g - .offset( - 68 as isize, - ) = *c0z.offset(0 as isize) - * *g.offset(64 as isize) + *g.offset(68 as isize) = *c0z.offset(0 as isize) * *g.offset(64 as isize) + *b10.offset(0 as isize) * *g.offset(60 as isize) + *b00.offset(0 as isize) * *g.offset(52 as isize); - *g - .offset( - 69 as isize, - ) = *c0z.offset(1 as isize) - * *g.offset(65 as isize) + *g.offset(69 as isize) = *c0z.offset(1 as isize) * *g.offset(65 as isize) + *b10.offset(1 as isize) * *g.offset(61 as isize) + *b00.offset(1 as isize) * *g.offset(53 as isize); - *g - .offset( - 70 as isize, - ) = *c0z.offset(2 as isize) - * *g.offset(66 as isize) + *g.offset(70 as isize) = *c0z.offset(2 as isize) * *g.offset(66 as isize) + *b10.offset(2 as isize) * *g.offset(62 as isize) + *b00.offset(2 as isize) * *g.offset(54 as isize); - *g - .offset( - 71 as isize, - ) = *c0z.offset(3 as isize) - * *g.offset(67 as isize) + *g.offset(71 as isize) = *c0z.offset(3 as isize) * *g.offset(67 as isize) + *b10.offset(3 as isize) * *g.offset(63 as isize) + *b00.offset(3 as isize) * *g.offset(55 as isize); } @@ -12910,98 +5959,34 @@ unsafe extern "C" fn _srg0_2d4d_2100( *g.offset(5 as isize) = *c0x.offset(1 as isize); *g.offset(6 as isize) = *c0x.offset(2 as isize); *g.offset(7 as isize) = *c0x.offset(3 as isize); - *g - .offset( - 8 as isize, - ) = *c0x.offset(0 as isize) - * *c0x.offset(0 as isize) - + *b10.offset(0 as isize); - *g - .offset( - 9 as isize, - ) = *c0x.offset(1 as isize) - * *c0x.offset(1 as isize) - + *b10.offset(1 as isize); - *g - .offset( - 10 as isize, - ) = *c0x.offset(2 as isize) - * *c0x.offset(2 as isize) - + *b10.offset(2 as isize); - *g - .offset( - 11 as isize, - ) = *c0x.offset(3 as isize) - * *c0x.offset(3 as isize) - + *b10.offset(3 as isize); - *g - .offset( - 24 as isize, - ) = *g.offset(8 as isize) - * (xixj + *c0x.offset(0 as isize)) - + *c0x.offset(0 as isize) * 2 as f64 - * *b10.offset(0 as isize); - *g - .offset( - 25 as isize, - ) = *g.offset(9 as isize) - * (xixj + *c0x.offset(1 as isize)) - + *c0x.offset(1 as isize) * 2 as f64 - * *b10.offset(1 as isize); - *g - .offset( - 26 as isize, - ) = *g.offset(10 as isize) - * (xixj + *c0x.offset(2 as isize)) - + *c0x.offset(2 as isize) * 2 as f64 - * *b10.offset(2 as isize); - *g - .offset( - 27 as isize, - ) = *g.offset(11 as isize) - * (xixj + *c0x.offset(3 as isize)) - + *c0x.offset(3 as isize) * 2 as f64 - * *b10.offset(3 as isize); - *g - .offset( - 20 as isize, - ) = *c0x.offset(0 as isize) - * (xixj + *c0x.offset(0 as isize)) - + *b10.offset(0 as isize); - *g - .offset( - 21 as isize, - ) = *c0x.offset(1 as isize) - * (xixj + *c0x.offset(1 as isize)) - + *b10.offset(1 as isize); - *g - .offset( - 22 as isize, - ) = *c0x.offset(2 as isize) - * (xixj + *c0x.offset(2 as isize)) - + *b10.offset(2 as isize); - *g - .offset( - 23 as isize, - ) = *c0x.offset(3 as isize) - * (xixj + *c0x.offset(3 as isize)) - + *b10.offset(3 as isize); - *g - .offset( - 16 as isize, - ) = xixj + *c0x.offset(0 as isize); - *g - .offset( - 17 as isize, - ) = xixj + *c0x.offset(1 as isize); - *g - .offset( - 18 as isize, - ) = xixj + *c0x.offset(2 as isize); - *g - .offset( - 19 as isize, - ) = xixj + *c0x.offset(3 as isize); + *g.offset(8 as isize) = + *c0x.offset(0 as isize) * *c0x.offset(0 as isize) + *b10.offset(0 as isize); + *g.offset(9 as isize) = + *c0x.offset(1 as isize) * *c0x.offset(1 as isize) + *b10.offset(1 as isize); + *g.offset(10 as isize) = + *c0x.offset(2 as isize) * *c0x.offset(2 as isize) + *b10.offset(2 as isize); + *g.offset(11 as isize) = + *c0x.offset(3 as isize) * *c0x.offset(3 as isize) + *b10.offset(3 as isize); + *g.offset(24 as isize) = *g.offset(8 as isize) * (xixj + *c0x.offset(0 as isize)) + + *c0x.offset(0 as isize) * 2 as f64 * *b10.offset(0 as isize); + *g.offset(25 as isize) = *g.offset(9 as isize) * (xixj + *c0x.offset(1 as isize)) + + *c0x.offset(1 as isize) * 2 as f64 * *b10.offset(1 as isize); + *g.offset(26 as isize) = *g.offset(10 as isize) * (xixj + *c0x.offset(2 as isize)) + + *c0x.offset(2 as isize) * 2 as f64 * *b10.offset(2 as isize); + *g.offset(27 as isize) = *g.offset(11 as isize) * (xixj + *c0x.offset(3 as isize)) + + *c0x.offset(3 as isize) * 2 as f64 * *b10.offset(3 as isize); + *g.offset(20 as isize) = + *c0x.offset(0 as isize) * (xixj + *c0x.offset(0 as isize)) + *b10.offset(0 as isize); + *g.offset(21 as isize) = + *c0x.offset(1 as isize) * (xixj + *c0x.offset(1 as isize)) + *b10.offset(1 as isize); + *g.offset(22 as isize) = + *c0x.offset(2 as isize) * (xixj + *c0x.offset(2 as isize)) + *b10.offset(2 as isize); + *g.offset(23 as isize) = + *c0x.offset(3 as isize) * (xixj + *c0x.offset(3 as isize)) + *b10.offset(3 as isize); + *g.offset(16 as isize) = xixj + *c0x.offset(0 as isize); + *g.offset(17 as isize) = xixj + *c0x.offset(1 as isize); + *g.offset(18 as isize) = xixj + *c0x.offset(2 as isize); + *g.offset(19 as isize) = xixj + *c0x.offset(3 as isize); *g.offset(32 as isize) = 1 as f64; *g.offset(33 as isize) = 1 as f64; *g.offset(34 as isize) = 1 as f64; @@ -13010,214 +5995,66 @@ unsafe extern "C" fn _srg0_2d4d_2100( *g.offset(37 as isize) = *c0y.offset(1 as isize); *g.offset(38 as isize) = *c0y.offset(2 as isize); *g.offset(39 as isize) = *c0y.offset(3 as isize); - *g - .offset( - 40 as isize, - ) = *c0y.offset(0 as isize) - * *c0y.offset(0 as isize) - + *b10.offset(0 as isize); - *g - .offset( - 41 as isize, - ) = *c0y.offset(1 as isize) - * *c0y.offset(1 as isize) - + *b10.offset(1 as isize); - *g - .offset( - 42 as isize, - ) = *c0y.offset(2 as isize) - * *c0y.offset(2 as isize) - + *b10.offset(2 as isize); - *g - .offset( - 43 as isize, - ) = *c0y.offset(3 as isize) - * *c0y.offset(3 as isize) - + *b10.offset(3 as isize); - *g - .offset( - 56 as isize, - ) = *g.offset(40 as isize) - * (yiyj + *c0y.offset(0 as isize)) - + *c0y.offset(0 as isize) * 2 as f64 - * *b10.offset(0 as isize); - *g - .offset( - 57 as isize, - ) = *g.offset(41 as isize) - * (yiyj + *c0y.offset(1 as isize)) - + *c0y.offset(1 as isize) * 2 as f64 - * *b10.offset(1 as isize); - *g - .offset( - 58 as isize, - ) = *g.offset(42 as isize) - * (yiyj + *c0y.offset(2 as isize)) - + *c0y.offset(2 as isize) * 2 as f64 - * *b10.offset(2 as isize); - *g - .offset( - 59 as isize, - ) = *g.offset(43 as isize) - * (yiyj + *c0y.offset(3 as isize)) - + *c0y.offset(3 as isize) * 2 as f64 - * *b10.offset(3 as isize); - *g - .offset( - 52 as isize, - ) = *c0y.offset(0 as isize) - * (yiyj + *c0y.offset(0 as isize)) - + *b10.offset(0 as isize); - *g - .offset( - 53 as isize, - ) = *c0y.offset(1 as isize) - * (yiyj + *c0y.offset(1 as isize)) - + *b10.offset(1 as isize); - *g - .offset( - 54 as isize, - ) = *c0y.offset(2 as isize) - * (yiyj + *c0y.offset(2 as isize)) - + *b10.offset(2 as isize); - *g - .offset( - 55 as isize, - ) = *c0y.offset(3 as isize) - * (yiyj + *c0y.offset(3 as isize)) - + *b10.offset(3 as isize); - *g - .offset( - 48 as isize, - ) = yiyj + *c0y.offset(0 as isize); - *g - .offset( - 49 as isize, - ) = yiyj + *c0y.offset(1 as isize); - *g - .offset( - 50 as isize, - ) = yiyj + *c0y.offset(2 as isize); - *g - .offset( - 51 as isize, - ) = yiyj + *c0y.offset(3 as isize); - *g - .offset( - 68 as isize, - ) = *c0z.offset(0 as isize) - * *g.offset(64 as isize); - *g - .offset( - 69 as isize, - ) = *c0z.offset(1 as isize) - * *g.offset(65 as isize); - *g - .offset( - 70 as isize, - ) = *c0z.offset(2 as isize) - * *g.offset(66 as isize); - *g - .offset( - 71 as isize, - ) = *c0z.offset(3 as isize) - * *g.offset(67 as isize); - *g - .offset( - 72 as isize, - ) = *c0z.offset(0 as isize) - * *g.offset(68 as isize) + *g.offset(40 as isize) = + *c0y.offset(0 as isize) * *c0y.offset(0 as isize) + *b10.offset(0 as isize); + *g.offset(41 as isize) = + *c0y.offset(1 as isize) * *c0y.offset(1 as isize) + *b10.offset(1 as isize); + *g.offset(42 as isize) = + *c0y.offset(2 as isize) * *c0y.offset(2 as isize) + *b10.offset(2 as isize); + *g.offset(43 as isize) = + *c0y.offset(3 as isize) * *c0y.offset(3 as isize) + *b10.offset(3 as isize); + *g.offset(56 as isize) = *g.offset(40 as isize) * (yiyj + *c0y.offset(0 as isize)) + + *c0y.offset(0 as isize) * 2 as f64 * *b10.offset(0 as isize); + *g.offset(57 as isize) = *g.offset(41 as isize) * (yiyj + *c0y.offset(1 as isize)) + + *c0y.offset(1 as isize) * 2 as f64 * *b10.offset(1 as isize); + *g.offset(58 as isize) = *g.offset(42 as isize) * (yiyj + *c0y.offset(2 as isize)) + + *c0y.offset(2 as isize) * 2 as f64 * *b10.offset(2 as isize); + *g.offset(59 as isize) = *g.offset(43 as isize) * (yiyj + *c0y.offset(3 as isize)) + + *c0y.offset(3 as isize) * 2 as f64 * *b10.offset(3 as isize); + *g.offset(52 as isize) = + *c0y.offset(0 as isize) * (yiyj + *c0y.offset(0 as isize)) + *b10.offset(0 as isize); + *g.offset(53 as isize) = + *c0y.offset(1 as isize) * (yiyj + *c0y.offset(1 as isize)) + *b10.offset(1 as isize); + *g.offset(54 as isize) = + *c0y.offset(2 as isize) * (yiyj + *c0y.offset(2 as isize)) + *b10.offset(2 as isize); + *g.offset(55 as isize) = + *c0y.offset(3 as isize) * (yiyj + *c0y.offset(3 as isize)) + *b10.offset(3 as isize); + *g.offset(48 as isize) = yiyj + *c0y.offset(0 as isize); + *g.offset(49 as isize) = yiyj + *c0y.offset(1 as isize); + *g.offset(50 as isize) = yiyj + *c0y.offset(2 as isize); + *g.offset(51 as isize) = yiyj + *c0y.offset(3 as isize); + *g.offset(68 as isize) = *c0z.offset(0 as isize) * *g.offset(64 as isize); + *g.offset(69 as isize) = *c0z.offset(1 as isize) * *g.offset(65 as isize); + *g.offset(70 as isize) = *c0z.offset(2 as isize) * *g.offset(66 as isize); + *g.offset(71 as isize) = *c0z.offset(3 as isize) * *g.offset(67 as isize); + *g.offset(72 as isize) = *c0z.offset(0 as isize) * *g.offset(68 as isize) + *b10.offset(0 as isize) * *g.offset(64 as isize); - *g - .offset( - 73 as isize, - ) = *c0z.offset(1 as isize) - * *g.offset(69 as isize) + *g.offset(73 as isize) = *c0z.offset(1 as isize) * *g.offset(69 as isize) + *b10.offset(1 as isize) * *g.offset(65 as isize); - *g - .offset( - 74 as isize, - ) = *c0z.offset(2 as isize) - * *g.offset(70 as isize) + *g.offset(74 as isize) = *c0z.offset(2 as isize) * *g.offset(70 as isize) + *b10.offset(2 as isize) * *g.offset(66 as isize); - *g - .offset( - 75 as isize, - ) = *c0z.offset(3 as isize) - * *g.offset(71 as isize) + *g.offset(75 as isize) = *c0z.offset(3 as isize) * *g.offset(71 as isize) + *b10.offset(3 as isize) * *g.offset(67 as isize); - *g - .offset( - 88 as isize, - ) = *g.offset(72 as isize) - * (zizj + *c0z.offset(0 as isize)) - + 2 as f64 * *b10.offset(0 as isize) - * *g.offset(68 as isize); - *g - .offset( - 89 as isize, - ) = *g.offset(73 as isize) - * (zizj + *c0z.offset(1 as isize)) - + 2 as f64 * *b10.offset(1 as isize) - * *g.offset(69 as isize); - *g - .offset( - 90 as isize, - ) = *g.offset(74 as isize) - * (zizj + *c0z.offset(2 as isize)) - + 2 as f64 * *b10.offset(2 as isize) - * *g.offset(70 as isize); - *g - .offset( - 91 as isize, - ) = *g.offset(75 as isize) - * (zizj + *c0z.offset(3 as isize)) - + 2 as f64 * *b10.offset(3 as isize) - * *g.offset(71 as isize); - *g - .offset( - 84 as isize, - ) = *g.offset(68 as isize) - * (zizj + *c0z.offset(0 as isize)) + *g.offset(88 as isize) = *g.offset(72 as isize) * (zizj + *c0z.offset(0 as isize)) + + 2 as f64 * *b10.offset(0 as isize) * *g.offset(68 as isize); + *g.offset(89 as isize) = *g.offset(73 as isize) * (zizj + *c0z.offset(1 as isize)) + + 2 as f64 * *b10.offset(1 as isize) * *g.offset(69 as isize); + *g.offset(90 as isize) = *g.offset(74 as isize) * (zizj + *c0z.offset(2 as isize)) + + 2 as f64 * *b10.offset(2 as isize) * *g.offset(70 as isize); + *g.offset(91 as isize) = *g.offset(75 as isize) * (zizj + *c0z.offset(3 as isize)) + + 2 as f64 * *b10.offset(3 as isize) * *g.offset(71 as isize); + *g.offset(84 as isize) = *g.offset(68 as isize) * (zizj + *c0z.offset(0 as isize)) + *b10.offset(0 as isize) * *g.offset(64 as isize); - *g - .offset( - 85 as isize, - ) = *g.offset(69 as isize) - * (zizj + *c0z.offset(1 as isize)) + *g.offset(85 as isize) = *g.offset(69 as isize) * (zizj + *c0z.offset(1 as isize)) + *b10.offset(1 as isize) * *g.offset(65 as isize); - *g - .offset( - 86 as isize, - ) = *g.offset(70 as isize) - * (zizj + *c0z.offset(2 as isize)) + *g.offset(86 as isize) = *g.offset(70 as isize) * (zizj + *c0z.offset(2 as isize)) + *b10.offset(2 as isize) * *g.offset(66 as isize); - *g - .offset( - 87 as isize, - ) = *g.offset(71 as isize) - * (zizj + *c0z.offset(3 as isize)) + *g.offset(87 as isize) = *g.offset(71 as isize) * (zizj + *c0z.offset(3 as isize)) + *b10.offset(3 as isize) * *g.offset(67 as isize); - *g - .offset( - 80 as isize, - ) = *g.offset(64 as isize) - * (zizj + *c0z.offset(0 as isize)); - *g - .offset( - 81 as isize, - ) = *g.offset(65 as isize) - * (zizj + *c0z.offset(1 as isize)); - *g - .offset( - 82 as isize, - ) = *g.offset(66 as isize) - * (zizj + *c0z.offset(2 as isize)); - *g - .offset( - 83 as isize, - ) = *g.offset(67 as isize) - * (zizj + *c0z.offset(3 as isize)); + *g.offset(80 as isize) = *g.offset(64 as isize) * (zizj + *c0z.offset(0 as isize)); + *g.offset(81 as isize) = *g.offset(65 as isize) * (zizj + *c0z.offset(1 as isize)); + *g.offset(82 as isize) = *g.offset(66 as isize) * (zizj + *c0z.offset(2 as isize)); + *g.offset(83 as isize) = *g.offset(67 as isize) * (zizj + *c0z.offset(3 as isize)); } #[inline] unsafe extern "C" fn _srg0_2d4d_3000( @@ -13237,58 +6074,22 @@ unsafe extern "C" fn _srg0_2d4d_3000( *g.offset(5 as isize) = *c0x.offset(1 as isize); *g.offset(6 as isize) = *c0x.offset(2 as isize); *g.offset(7 as isize) = *c0x.offset(3 as isize); - *g - .offset( - 8 as isize, - ) = *c0x.offset(0 as isize) - * *c0x.offset(0 as isize) - + *b10.offset(0 as isize); - *g - .offset( - 9 as isize, - ) = *c0x.offset(1 as isize) - * *c0x.offset(1 as isize) - + *b10.offset(1 as isize); - *g - .offset( - 10 as isize, - ) = *c0x.offset(2 as isize) - * *c0x.offset(2 as isize) - + *b10.offset(2 as isize); - *g - .offset( - 11 as isize, - ) = *c0x.offset(3 as isize) - * *c0x.offset(3 as isize) - + *b10.offset(3 as isize); - *g - .offset( - 12 as isize, - ) = *c0x.offset(0 as isize) - * (*g.offset(8 as isize) - + 2 as f64 - * *b10.offset(0 as isize)); - *g - .offset( - 13 as isize, - ) = *c0x.offset(1 as isize) - * (*g.offset(9 as isize) - + 2 as f64 - * *b10.offset(1 as isize)); - *g - .offset( - 14 as isize, - ) = *c0x.offset(2 as isize) - * (*g.offset(10 as isize) - + 2 as f64 - * *b10.offset(2 as isize)); - *g - .offset( - 15 as isize, - ) = *c0x.offset(3 as isize) - * (*g.offset(11 as isize) - + 2 as f64 - * *b10.offset(3 as isize)); + *g.offset(8 as isize) = + *c0x.offset(0 as isize) * *c0x.offset(0 as isize) + *b10.offset(0 as isize); + *g.offset(9 as isize) = + *c0x.offset(1 as isize) * *c0x.offset(1 as isize) + *b10.offset(1 as isize); + *g.offset(10 as isize) = + *c0x.offset(2 as isize) * *c0x.offset(2 as isize) + *b10.offset(2 as isize); + *g.offset(11 as isize) = + *c0x.offset(3 as isize) * *c0x.offset(3 as isize) + *b10.offset(3 as isize); + *g.offset(12 as isize) = + *c0x.offset(0 as isize) * (*g.offset(8 as isize) + 2 as f64 * *b10.offset(0 as isize)); + *g.offset(13 as isize) = + *c0x.offset(1 as isize) * (*g.offset(9 as isize) + 2 as f64 * *b10.offset(1 as isize)); + *g.offset(14 as isize) = + *c0x.offset(2 as isize) * (*g.offset(10 as isize) + 2 as f64 * *b10.offset(2 as isize)); + *g.offset(15 as isize) = + *c0x.offset(3 as isize) * (*g.offset(11 as isize) + 2 as f64 * *b10.offset(3 as isize)); *g.offset(16 as isize) = 1 as f64; *g.offset(17 as isize) = 1 as f64; *g.offset(18 as isize) = 1 as f64; @@ -13297,130 +6098,42 @@ unsafe extern "C" fn _srg0_2d4d_3000( *g.offset(21 as isize) = *c0y.offset(1 as isize); *g.offset(22 as isize) = *c0y.offset(2 as isize); *g.offset(23 as isize) = *c0y.offset(3 as isize); - *g - .offset( - 24 as isize, - ) = *c0y.offset(0 as isize) - * *c0y.offset(0 as isize) - + *b10.offset(0 as isize); - *g - .offset( - 25 as isize, - ) = *c0y.offset(1 as isize) - * *c0y.offset(1 as isize) - + *b10.offset(1 as isize); - *g - .offset( - 26 as isize, - ) = *c0y.offset(2 as isize) - * *c0y.offset(2 as isize) - + *b10.offset(2 as isize); - *g - .offset( - 27 as isize, - ) = *c0y.offset(3 as isize) - * *c0y.offset(3 as isize) - + *b10.offset(3 as isize); - *g - .offset( - 28 as isize, - ) = *c0y.offset(0 as isize) - * (*g.offset(24 as isize) - + 2 as f64 - * *b10.offset(0 as isize)); - *g - .offset( - 29 as isize, - ) = *c0y.offset(1 as isize) - * (*g.offset(25 as isize) - + 2 as f64 - * *b10.offset(1 as isize)); - *g - .offset( - 30 as isize, - ) = *c0y.offset(2 as isize) - * (*g.offset(26 as isize) - + 2 as f64 - * *b10.offset(2 as isize)); - *g - .offset( - 31 as isize, - ) = *c0y.offset(3 as isize) - * (*g.offset(27 as isize) - + 2 as f64 - * *b10.offset(3 as isize)); - *g - .offset( - 36 as isize, - ) = *c0z.offset(0 as isize) - * *g.offset(32 as isize); - *g - .offset( - 37 as isize, - ) = *c0z.offset(1 as isize) - * *g.offset(33 as isize); - *g - .offset( - 38 as isize, - ) = *c0z.offset(2 as isize) - * *g.offset(34 as isize); - *g - .offset( - 39 as isize, - ) = *c0z.offset(3 as isize) - * *g.offset(35 as isize); - *g - .offset( - 40 as isize, - ) = *c0z.offset(0 as isize) - * *g.offset(36 as isize) + *g.offset(24 as isize) = + *c0y.offset(0 as isize) * *c0y.offset(0 as isize) + *b10.offset(0 as isize); + *g.offset(25 as isize) = + *c0y.offset(1 as isize) * *c0y.offset(1 as isize) + *b10.offset(1 as isize); + *g.offset(26 as isize) = + *c0y.offset(2 as isize) * *c0y.offset(2 as isize) + *b10.offset(2 as isize); + *g.offset(27 as isize) = + *c0y.offset(3 as isize) * *c0y.offset(3 as isize) + *b10.offset(3 as isize); + *g.offset(28 as isize) = + *c0y.offset(0 as isize) * (*g.offset(24 as isize) + 2 as f64 * *b10.offset(0 as isize)); + *g.offset(29 as isize) = + *c0y.offset(1 as isize) * (*g.offset(25 as isize) + 2 as f64 * *b10.offset(1 as isize)); + *g.offset(30 as isize) = + *c0y.offset(2 as isize) * (*g.offset(26 as isize) + 2 as f64 * *b10.offset(2 as isize)); + *g.offset(31 as isize) = + *c0y.offset(3 as isize) * (*g.offset(27 as isize) + 2 as f64 * *b10.offset(3 as isize)); + *g.offset(36 as isize) = *c0z.offset(0 as isize) * *g.offset(32 as isize); + *g.offset(37 as isize) = *c0z.offset(1 as isize) * *g.offset(33 as isize); + *g.offset(38 as isize) = *c0z.offset(2 as isize) * *g.offset(34 as isize); + *g.offset(39 as isize) = *c0z.offset(3 as isize) * *g.offset(35 as isize); + *g.offset(40 as isize) = *c0z.offset(0 as isize) * *g.offset(36 as isize) + *b10.offset(0 as isize) * *g.offset(32 as isize); - *g - .offset( - 41 as isize, - ) = *c0z.offset(1 as isize) - * *g.offset(37 as isize) + *g.offset(41 as isize) = *c0z.offset(1 as isize) * *g.offset(37 as isize) + *b10.offset(1 as isize) * *g.offset(33 as isize); - *g - .offset( - 42 as isize, - ) = *c0z.offset(2 as isize) - * *g.offset(38 as isize) + *g.offset(42 as isize) = *c0z.offset(2 as isize) * *g.offset(38 as isize) + *b10.offset(2 as isize) * *g.offset(34 as isize); - *g - .offset( - 43 as isize, - ) = *c0z.offset(3 as isize) - * *g.offset(39 as isize) + *g.offset(43 as isize) = *c0z.offset(3 as isize) * *g.offset(39 as isize) + *b10.offset(3 as isize) * *g.offset(35 as isize); - *g - .offset( - 44 as isize, - ) = *c0z.offset(0 as isize) - * *g.offset(40 as isize) - + 2 as f64 * *b10.offset(0 as isize) - * *g.offset(36 as isize); - *g - .offset( - 45 as isize, - ) = *c0z.offset(1 as isize) - * *g.offset(41 as isize) - + 2 as f64 * *b10.offset(1 as isize) - * *g.offset(37 as isize); - *g - .offset( - 46 as isize, - ) = *c0z.offset(2 as isize) - * *g.offset(42 as isize) - + 2 as f64 * *b10.offset(2 as isize) - * *g.offset(38 as isize); - *g - .offset( - 47 as isize, - ) = *c0z.offset(3 as isize) - * *g.offset(43 as isize) - + 2 as f64 * *b10.offset(3 as isize) - * *g.offset(39 as isize); + *g.offset(44 as isize) = *c0z.offset(0 as isize) * *g.offset(40 as isize) + + 2 as f64 * *b10.offset(0 as isize) * *g.offset(36 as isize); + *g.offset(45 as isize) = *c0z.offset(1 as isize) * *g.offset(41 as isize) + + 2 as f64 * *b10.offset(1 as isize) * *g.offset(37 as isize); + *g.offset(46 as isize) = *c0z.offset(2 as isize) * *g.offset(42 as isize) + + 2 as f64 * *b10.offset(2 as isize) * *g.offset(38 as isize); + *g.offset(47 as isize) = *c0z.offset(3 as isize) * *g.offset(43 as isize) + + 2 as f64 * *b10.offset(3 as isize) * *g.offset(39 as isize); } #[no_mangle] pub unsafe extern "C" fn CINTsrg0_2e_2d4d_unrolled( @@ -13429,7 +6142,8 @@ pub unsafe extern "C" fn CINTsrg0_2e_2d4d_unrolled( mut envs: *mut CINTEnvVars, ) { let mut type_ijkl: i32 = (*envs).li_ceil << 6 as i32 - | (*envs).lj_ceil << 4 as i32 | (*envs).lk_ceil << 2 as i32 + | (*envs).lj_ceil << 4 as i32 + | (*envs).lk_ceil << 2 as i32 | (*envs).ll_ceil; match type_ijkl { 0 => { @@ -13574,8 +6288,13 @@ pub unsafe extern "C" fn CINTsrg0_2e_2d4d_unrolled( } _ => {} } - eprintln!("Dimension error for CINTg0_2e_lj2d4d: iklj = {} {} {} {}", - (*envs).li_ceil, (*envs).lk_ceil, (*envs).ll_ceil, (*envs).lj_ceil); + eprintln!( + "Dimension error for CINTg0_2e_lj2d4d: iklj = {} {} {} {}", + (*envs).li_ceil, + (*envs).lk_ceil, + (*envs).ll_ceil, + (*envs).lj_ceil + ); } #[no_mangle] pub unsafe extern "C" fn CINTg0_2e_lj2d4d( @@ -13623,23 +6342,17 @@ pub unsafe extern "C" fn CINTg0_2e( ) -> i32 { let mut irys: i32 = 0; let mut nroots: i32 = (*envs).nrys_roots; - let mut aij: f64 = (*envs).ai[0 as usize] - + (*envs).aj[0 as usize]; - let mut akl: f64 = (*envs).ak[0 as usize] - + (*envs).al[0 as usize]; + let mut aij: f64 = (*envs).ai[0 as usize] + (*envs).aj[0 as usize]; + let mut akl: f64 = (*envs).ak[0 as usize] + (*envs).al[0 as usize]; let mut a0: f64 = 0.; let mut a1: f64 = 0.; let mut fac1: f64 = 0.; let mut x: f64 = 0.; let mut u: [f64; 32] = [0.; 32]; - let mut w: *mut f64 = g - .offset(((*envs).g_size * 2 as i32) as isize); - let mut xij_kl: f64 = *rij.offset(0 as isize) - - *rkl.offset(0 as isize); - let mut yij_kl: f64 = *rij.offset(1 as isize) - - *rkl.offset(1 as isize); - let mut zij_kl: f64 = *rij.offset(2 as isize) - - *rkl.offset(2 as isize); + let mut w: *mut f64 = g.offset(((*envs).g_size * 2 as i32) as isize); + let mut xij_kl: f64 = *rij.offset(0 as isize) - *rkl.offset(0 as isize); + let mut yij_kl: f64 = *rij.offset(1 as isize) - *rkl.offset(1 as isize); + let mut zij_kl: f64 = *rij.offset(2 as isize) - *rkl.offset(2 as isize); let mut rr: f64 = xij_kl * xij_kl + yij_kl * yij_kl + zij_kl * zij_kl; a1 = aij * akl; a0 = a1 / (aij + akl); @@ -13667,22 +6380,10 @@ pub unsafe extern "C" fn CINTg0_2e( w.offset(rorder as isize), ); if (*envs).g_size == 2 as i32 { - *g - .offset( - 0 as isize, - ) = 1 as f64; - *g - .offset( - 1 as isize, - ) = 1 as f64; - *g - .offset( - 2 as isize, - ) = 1 as f64; - *g - .offset( - 3 as isize, - ) = 1 as f64; + *g.offset(0 as isize) = 1 as f64; + *g.offset(1 as isize) = 1 as f64; + *g.offset(2 as isize) = 1 as f64; + *g.offset(3 as isize) = 1 as f64; *g.offset(4 as isize) *= fac1; *g.offset(5 as isize) *= fac1 * sqrt_theta; return 1 as i32; @@ -13721,18 +6422,12 @@ pub unsafe extern "C" fn CINTg0_2e( let mut tmp3: f64 = 0.; let mut tmp4: f64 = 0.; let mut tmp5: f64 = 0.; - let mut rijrx: f64 = *rij.offset(0 as isize) - - *((*envs).rx_in_rijrx).offset(0 as isize); - let mut rijry: f64 = *rij.offset(1 as isize) - - *((*envs).rx_in_rijrx).offset(1 as isize); - let mut rijrz: f64 = *rij.offset(2 as isize) - - *((*envs).rx_in_rijrx).offset(2 as isize); - let mut rklrx: f64 = *rkl.offset(0 as isize) - - *((*envs).rx_in_rklrx).offset(0 as isize); - let mut rklry: f64 = *rkl.offset(1 as isize) - - *((*envs).rx_in_rklrx).offset(1 as isize); - let mut rklrz: f64 = *rkl.offset(2 as isize) - - *((*envs).rx_in_rklrx).offset(2 as isize); + let mut rijrx: f64 = *rij.offset(0 as isize) - *((*envs).rx_in_rijrx).offset(0 as isize); + let mut rijry: f64 = *rij.offset(1 as isize) - *((*envs).rx_in_rijrx).offset(1 as isize); + let mut rijrz: f64 = *rij.offset(2 as isize) - *((*envs).rx_in_rijrx).offset(2 as isize); + let mut rklrx: f64 = *rkl.offset(0 as isize) - *((*envs).rx_in_rklrx).offset(0 as isize); + let mut rklry: f64 = *rkl.offset(1 as isize) - *((*envs).rx_in_rklrx).offset(1 as isize); + let mut rklrz: f64 = *rkl.offset(2 as isize) - *((*envs).rx_in_rklrx).offset(2 as isize); let mut bc: Rys2eT = Rys2eT { c00x: [0.; 32], c00y: [0.; 32], @@ -13774,10 +6469,7 @@ pub unsafe extern "C" fn CINTg0_2e( irys += 1; irys; } - ::core::mem::transmute::< - _, - fn(_, _, _), - >( + ::core::mem::transmute::<_, fn(_, _, _)>( (Some(((*envs).f_g0_2d4d).expect("non-null function pointer"))) .expect("non-null function pointer"), )(g, &mut bc, envs); @@ -13804,16 +6496,13 @@ pub unsafe extern "C" fn CINTnabla1i_2e( let dl: i32 = (*envs).g_stride_l; let dj: i32 = (*envs).g_stride_j; let nroots: i32 = (*envs).nrys_roots; - let ai2: f64 = -(2 as i32) as f64 - * (*envs).ai[0 as usize]; + let ai2: f64 = -(2 as i32) as f64 * (*envs).ai[0 as usize]; let mut gx: *const f64 = g; let mut gy: *const f64 = g.offset((*envs).g_size as isize); - let mut gz: *const f64 = g - .offset(((*envs).g_size * 2 as i32) as isize); + let mut gz: *const f64 = g.offset(((*envs).g_size * 2 as i32) as isize); let mut fx: *mut f64 = f; let mut fy: *mut f64 = f.offset((*envs).g_size as isize); - let mut fz: *mut f64 = f - .offset(((*envs).g_size * 2 as i32) as isize); + let mut fz: *mut f64 = f.offset(((*envs).g_size * 2 as i32) as isize); let mut p1x: *const f64 = gx.offset(-(di as isize)); let mut p1y: *const f64 = gy.offset(-(di as isize)); let mut p1z: *const f64 = gz.offset(-(di as isize)); @@ -13840,21 +6529,12 @@ pub unsafe extern "C" fn CINTnabla1i_2e( while i <= li { n = ptr; while n < ptr + nroots { - *fx - .offset( - n as isize, - ) = i as f64 * *p1x.offset(n as isize) - + ai2 * *p2x.offset(n as isize); - *fy - .offset( - n as isize, - ) = i as f64 * *p1y.offset(n as isize) - + ai2 * *p2y.offset(n as isize); - *fz - .offset( - n as isize, - ) = i as f64 * *p1z.offset(n as isize) - + ai2 * *p2z.offset(n as isize); + *fx.offset(n as isize) = + i as f64 * *p1x.offset(n as isize) + ai2 * *p2x.offset(n as isize); + *fy.offset(n as isize) = + i as f64 * *p1y.offset(n as isize) + ai2 * *p2y.offset(n as isize); + *fz.offset(n as isize) = + i as f64 * *p1z.offset(n as isize) + ai2 * *p2z.offset(n as isize); n += 1; n; } @@ -13893,16 +6573,13 @@ pub unsafe extern "C" fn CINTnabla1j_2e( let dl: i32 = (*envs).g_stride_l; let dj: i32 = (*envs).g_stride_j; let nroots: i32 = (*envs).nrys_roots; - let aj2: f64 = -(2 as i32) as f64 - * (*envs).aj[0 as usize]; + let aj2: f64 = -(2 as i32) as f64 * (*envs).aj[0 as usize]; let mut gx: *const f64 = g; let mut gy: *const f64 = g.offset((*envs).g_size as isize); - let mut gz: *const f64 = g - .offset(((*envs).g_size * 2 as i32) as isize); + let mut gz: *const f64 = g.offset(((*envs).g_size * 2 as i32) as isize); let mut fx: *mut f64 = f; let mut fy: *mut f64 = f.offset((*envs).g_size as isize); - let mut fz: *mut f64 = f - .offset(((*envs).g_size * 2 as i32) as isize); + let mut fz: *mut f64 = f.offset(((*envs).g_size * 2 as i32) as isize); let mut p1x: *const f64 = gx.offset(-(dj as isize)); let mut p1y: *const f64 = gy.offset(-(dj as isize)); let mut p1z: *const f64 = gz.offset(-(dj as isize)); @@ -13945,21 +6622,12 @@ pub unsafe extern "C" fn CINTnabla1j_2e( while i <= li { n = ptr; while n < ptr + nroots { - *fx - .offset( - n as isize, - ) = j as f64 * *p1x.offset(n as isize) - + aj2 * *p2x.offset(n as isize); - *fy - .offset( - n as isize, - ) = j as f64 * *p1y.offset(n as isize) - + aj2 * *p2y.offset(n as isize); - *fz - .offset( - n as isize, - ) = j as f64 * *p1z.offset(n as isize) - + aj2 * *p2z.offset(n as isize); + *fx.offset(n as isize) = + j as f64 * *p1x.offset(n as isize) + aj2 * *p2x.offset(n as isize); + *fy.offset(n as isize) = + j as f64 * *p1y.offset(n as isize) + aj2 * *p2y.offset(n as isize); + *fz.offset(n as isize) = + j as f64 * *p1z.offset(n as isize) + aj2 * *p2z.offset(n as isize); n += 1; n; } @@ -13998,16 +6666,13 @@ pub unsafe extern "C" fn CINTnabla1k_2e( let dl: i32 = (*envs).g_stride_l; let dj: i32 = (*envs).g_stride_j; let nroots: i32 = (*envs).nrys_roots; - let ak2: f64 = -(2 as i32) as f64 - * (*envs).ak[0 as usize]; + let ak2: f64 = -(2 as i32) as f64 * (*envs).ak[0 as usize]; let mut gx: *const f64 = g; let mut gy: *const f64 = g.offset((*envs).g_size as isize); - let mut gz: *const f64 = g - .offset(((*envs).g_size * 2 as i32) as isize); + let mut gz: *const f64 = g.offset(((*envs).g_size * 2 as i32) as isize); let mut fx: *mut f64 = f; let mut fy: *mut f64 = f.offset((*envs).g_size as isize); - let mut fz: *mut f64 = f - .offset(((*envs).g_size * 2 as i32) as isize); + let mut fz: *mut f64 = f.offset(((*envs).g_size * 2 as i32) as isize); let mut p1x: *const f64 = gx.offset(-(dk as isize)); let mut p1y: *const f64 = gy.offset(-(dk as isize)); let mut p1z: *const f64 = gz.offset(-(dk as isize)); @@ -14040,21 +6705,12 @@ pub unsafe extern "C" fn CINTnabla1k_2e( while i <= li { n = ptr; while n < ptr + nroots { - *fx - .offset( - n as isize, - ) = k as f64 * *p1x.offset(n as isize) - + ak2 * *p2x.offset(n as isize); - *fy - .offset( - n as isize, - ) = k as f64 * *p1y.offset(n as isize) - + ak2 * *p2y.offset(n as isize); - *fz - .offset( - n as isize, - ) = k as f64 * *p1z.offset(n as isize) - + ak2 * *p2z.offset(n as isize); + *fx.offset(n as isize) = + k as f64 * *p1x.offset(n as isize) + ak2 * *p2x.offset(n as isize); + *fy.offset(n as isize) = + k as f64 * *p1y.offset(n as isize) + ak2 * *p2y.offset(n as isize); + *fz.offset(n as isize) = + k as f64 * *p1z.offset(n as isize) + ak2 * *p2z.offset(n as isize); n += 1; n; } @@ -14093,16 +6749,13 @@ pub unsafe extern "C" fn CINTnabla1l_2e( let dl: i32 = (*envs).g_stride_l; let dj: i32 = (*envs).g_stride_j; let nroots: i32 = (*envs).nrys_roots; - let al2: f64 = -(2 as i32) as f64 - * (*envs).al[0 as usize]; + let al2: f64 = -(2 as i32) as f64 * (*envs).al[0 as usize]; let mut gx: *const f64 = g; let mut gy: *const f64 = g.offset((*envs).g_size as isize); - let mut gz: *const f64 = g - .offset(((*envs).g_size * 2 as i32) as isize); + let mut gz: *const f64 = g.offset(((*envs).g_size * 2 as i32) as isize); let mut fx: *mut f64 = f; let mut fy: *mut f64 = f.offset((*envs).g_size as isize); - let mut fz: *mut f64 = f - .offset(((*envs).g_size * 2 as i32) as isize); + let mut fz: *mut f64 = f.offset(((*envs).g_size * 2 as i32) as isize); let mut p1x: *const f64 = gx.offset(-(dl as isize)); let mut p1y: *const f64 = gy.offset(-(dl as isize)); let mut p1z: *const f64 = gz.offset(-(dl as isize)); @@ -14140,21 +6793,12 @@ pub unsafe extern "C" fn CINTnabla1l_2e( while i <= li { n = ptr; while n < ptr + nroots { - *fx - .offset( - n as isize, - ) = l as f64 * *p1x.offset(n as isize) - + al2 * *p2x.offset(n as isize); - *fy - .offset( - n as isize, - ) = l as f64 * *p1y.offset(n as isize) - + al2 * *p2y.offset(n as isize); - *fz - .offset( - n as isize, - ) = l as f64 * *p1z.offset(n as isize) - + al2 * *p2z.offset(n as isize); + *fx.offset(n as isize) = + l as f64 * *p1x.offset(n as isize) + al2 * *p2x.offset(n as isize); + *fy.offset(n as isize) = + l as f64 * *p1y.offset(n as isize) + al2 * *p2y.offset(n as isize); + *fz.offset(n as isize) = + l as f64 * *p1z.offset(n as isize) + al2 * *p2z.offset(n as isize); n += 1; n; } @@ -14196,12 +6840,10 @@ pub unsafe extern "C" fn CINTx1i_2e( let nroots: i32 = (*envs).nrys_roots; let mut gx: *const f64 = g; let mut gy: *const f64 = g.offset((*envs).g_size as isize); - let mut gz: *const f64 = g - .offset(((*envs).g_size * 2 as i32) as isize); + let mut gz: *const f64 = g.offset(((*envs).g_size * 2 as i32) as isize); let mut fx: *mut f64 = f; let mut fy: *mut f64 = f.offset((*envs).g_size as isize); - let mut fz: *mut f64 = f - .offset(((*envs).g_size * 2 as i32) as isize); + let mut fz: *mut f64 = f.offset(((*envs).g_size * 2 as i32) as isize); let mut p1x: *const f64 = gx.offset(di as isize); let mut p1y: *const f64 = gy.offset(di as isize); let mut p1z: *const f64 = gz.offset(di as isize); @@ -14216,24 +6858,12 @@ pub unsafe extern "C" fn CINTx1i_2e( while i <= li { n = ptr; while n < ptr + nroots { - *fx - .offset( - n as isize, - ) = *p1x.offset(n as isize) - + *ri.offset(0 as isize) - * *gx.offset(n as isize); - *fy - .offset( - n as isize, - ) = *p1y.offset(n as isize) - + *ri.offset(1 as isize) - * *gy.offset(n as isize); - *fz - .offset( - n as isize, - ) = *p1z.offset(n as isize) - + *ri.offset(2 as isize) - * *gz.offset(n as isize); + *fx.offset(n as isize) = *p1x.offset(n as isize) + + *ri.offset(0 as isize) * *gx.offset(n as isize); + *fy.offset(n as isize) = *p1y.offset(n as isize) + + *ri.offset(1 as isize) * *gy.offset(n as isize); + *fz.offset(n as isize) = *p1z.offset(n as isize) + + *ri.offset(2 as isize) * *gz.offset(n as isize); n += 1; n; } @@ -14275,12 +6905,10 @@ pub unsafe extern "C" fn CINTx1j_2e( let nroots: i32 = (*envs).nrys_roots; let mut gx: *const f64 = g; let mut gy: *const f64 = g.offset((*envs).g_size as isize); - let mut gz: *const f64 = g - .offset(((*envs).g_size * 2 as i32) as isize); + let mut gz: *const f64 = g.offset(((*envs).g_size * 2 as i32) as isize); let mut fx: *mut f64 = f; let mut fy: *mut f64 = f.offset((*envs).g_size as isize); - let mut fz: *mut f64 = f - .offset(((*envs).g_size * 2 as i32) as isize); + let mut fz: *mut f64 = f.offset(((*envs).g_size * 2 as i32) as isize); let mut p1x: *const f64 = gx.offset(dj as isize); let mut p1y: *const f64 = gy.offset(dj as isize); let mut p1z: *const f64 = gz.offset(dj as isize); @@ -14295,24 +6923,12 @@ pub unsafe extern "C" fn CINTx1j_2e( while i <= li { n = ptr; while n < ptr + nroots { - *fx - .offset( - n as isize, - ) = *p1x.offset(n as isize) - + *rj.offset(0 as isize) - * *gx.offset(n as isize); - *fy - .offset( - n as isize, - ) = *p1y.offset(n as isize) - + *rj.offset(1 as isize) - * *gy.offset(n as isize); - *fz - .offset( - n as isize, - ) = *p1z.offset(n as isize) - + *rj.offset(2 as isize) - * *gz.offset(n as isize); + *fx.offset(n as isize) = *p1x.offset(n as isize) + + *rj.offset(0 as isize) * *gx.offset(n as isize); + *fy.offset(n as isize) = *p1y.offset(n as isize) + + *rj.offset(1 as isize) * *gy.offset(n as isize); + *fz.offset(n as isize) = *p1z.offset(n as isize) + + *rj.offset(2 as isize) * *gz.offset(n as isize); n += 1; n; } @@ -14354,12 +6970,10 @@ pub unsafe extern "C" fn CINTx1k_2e( let nroots: i32 = (*envs).nrys_roots; let mut gx: *const f64 = g; let mut gy: *const f64 = g.offset((*envs).g_size as isize); - let mut gz: *const f64 = g - .offset(((*envs).g_size * 2 as i32) as isize); + let mut gz: *const f64 = g.offset(((*envs).g_size * 2 as i32) as isize); let mut fx: *mut f64 = f; let mut fy: *mut f64 = f.offset((*envs).g_size as isize); - let mut fz: *mut f64 = f - .offset(((*envs).g_size * 2 as i32) as isize); + let mut fz: *mut f64 = f.offset(((*envs).g_size * 2 as i32) as isize); let mut p1x: *const f64 = gx.offset(dk as isize); let mut p1y: *const f64 = gy.offset(dk as isize); let mut p1z: *const f64 = gz.offset(dk as isize); @@ -14374,24 +6988,12 @@ pub unsafe extern "C" fn CINTx1k_2e( while i <= li { n = ptr; while n < ptr + nroots { - *fx - .offset( - n as isize, - ) = *p1x.offset(n as isize) - + *rk.offset(0 as isize) - * *gx.offset(n as isize); - *fy - .offset( - n as isize, - ) = *p1y.offset(n as isize) - + *rk.offset(1 as isize) - * *gy.offset(n as isize); - *fz - .offset( - n as isize, - ) = *p1z.offset(n as isize) - + *rk.offset(2 as isize) - * *gz.offset(n as isize); + *fx.offset(n as isize) = *p1x.offset(n as isize) + + *rk.offset(0 as isize) * *gx.offset(n as isize); + *fy.offset(n as isize) = *p1y.offset(n as isize) + + *rk.offset(1 as isize) * *gy.offset(n as isize); + *fz.offset(n as isize) = *p1z.offset(n as isize) + + *rk.offset(2 as isize) * *gz.offset(n as isize); n += 1; n; } @@ -14433,12 +7035,10 @@ pub unsafe extern "C" fn CINTx1l_2e( let nroots: i32 = (*envs).nrys_roots; let mut gx: *const f64 = g; let mut gy: *const f64 = g.offset((*envs).g_size as isize); - let mut gz: *const f64 = g - .offset(((*envs).g_size * 2 as i32) as isize); + let mut gz: *const f64 = g.offset(((*envs).g_size * 2 as i32) as isize); let mut fx: *mut f64 = f; let mut fy: *mut f64 = f.offset((*envs).g_size as isize); - let mut fz: *mut f64 = f - .offset(((*envs).g_size * 2 as i32) as isize); + let mut fz: *mut f64 = f.offset(((*envs).g_size * 2 as i32) as isize); let mut p1x: *const f64 = gx.offset(dl as isize); let mut p1y: *const f64 = gy.offset(dl as isize); let mut p1z: *const f64 = gz.offset(dl as isize); @@ -14453,24 +7053,12 @@ pub unsafe extern "C" fn CINTx1l_2e( while i <= li { n = ptr; while n < ptr + nroots { - *fx - .offset( - n as isize, - ) = *p1x.offset(n as isize) - + *rl.offset(0 as isize) - * *gx.offset(n as isize); - *fy - .offset( - n as isize, - ) = *p1y.offset(n as isize) - + *rl.offset(1 as isize) - * *gy.offset(n as isize); - *fz - .offset( - n as isize, - ) = *p1z.offset(n as isize) - + *rl.offset(2 as isize) - * *gz.offset(n as isize); + *fx.offset(n as isize) = *p1x.offset(n as isize) + + *rl.offset(0 as isize) * *gx.offset(n as isize); + *fy.offset(n as isize) = *p1y.offset(n as isize) + + *rl.offset(1 as isize) * *gy.offset(n as isize); + *fz.offset(n as isize) = *p1z.offset(n as isize) + + *rl.offset(2 as isize) * *gz.offset(n as isize); n += 1; n; } diff --git a/src/intor1.rs b/src/intor1.rs index 254eb4a..e45a8b1 100644 --- a/src/intor1.rs +++ b/src/intor1.rs @@ -1,18 +1,26 @@ -#![allow(dead_code, mutable_transmutes, non_camel_case_types, non_snake_case, non_upper_case_globals, unused_assignments, unused_mut)] +#![allow( + dead_code, + mutable_transmutes, + non_camel_case_types, + non_snake_case, + non_upper_case_globals, + unused_assignments, + unused_mut +)] -use crate::cart2sph::c2s_sph_1e; use crate::cart2sph::c2s_cart_1e; +use crate::cart2sph::c2s_sph_1e; use crate::cint1e::CINT1e_drv; use crate::g1e::CINTinit_int1e_EnvVars; use crate::g1e::CINTnabla1j_1e; use crate::optimizer::CINTall_1e_optimizer; -use crate::cint::CINTOpt; use crate::cint::CINTEnvVars; +use crate::cint::CINTOpt; #[no_mangle] pub unsafe fn CINTgout1e_int1e_kin( -//pub unsafe extern "C" fn CINTgout1e_int1e_kin( + //pub unsafe extern "C" fn CINTgout1e_int1e_kin( mut gout: *mut f64, mut g: *mut f64, mut idx: *mut i32, @@ -25,12 +33,9 @@ pub unsafe fn CINTgout1e_int1e_kin( let mut iz: i32 = 0; let mut n: i32 = 0; let mut g0: *mut f64 = g; - let mut g1: *mut f64 = g0 - .offset(((*envs).g_size * 3 as i32) as isize); - let mut g2: *mut f64 = g1 - .offset(((*envs).g_size * 3 as i32) as isize); - let mut g3: *mut f64 = g2 - .offset(((*envs).g_size * 3 as i32) as isize); + let mut g1: *mut f64 = g0.offset(((*envs).g_size * 3 as i32) as isize); + let mut g2: *mut f64 = g1.offset(((*envs).g_size * 3 as i32) as isize); + let mut g3: *mut f64 = g2.offset(((*envs).g_size * 3 as i32) as isize); let mut s: [f64; 9] = [0.; 9]; CINTnabla1j_1e( g1, @@ -61,52 +66,39 @@ pub unsafe fn CINTgout1e_int1e_kin( ix = *idx.offset((0 as i32 + n * 3 as i32) as isize); iy = *idx.offset((1 as i32 + n * 3 as i32) as isize); iz = *idx.offset((2 as i32 + n * 3 as i32) as isize); - s[0 as i32 - as usize] = *g3.offset((ix + 0 as i32) as isize) + s[0 as i32 as usize] = *g3.offset((ix + 0 as i32) as isize) * *g0.offset((iy + 0 as i32) as isize) * *g0.offset((iz + 0 as i32) as isize); - s[1 as i32 - as usize] = *g2.offset((ix + 0 as i32) as isize) + s[1 as i32 as usize] = *g2.offset((ix + 0 as i32) as isize) * *g1.offset((iy + 0 as i32) as isize) * *g0.offset((iz + 0 as i32) as isize); - s[2 as i32 - as usize] = *g2.offset((ix + 0 as i32) as isize) + s[2 as i32 as usize] = *g2.offset((ix + 0 as i32) as isize) * *g0.offset((iy + 0 as i32) as isize) * *g1.offset((iz + 0 as i32) as isize); - s[3 as i32 - as usize] = *g1.offset((ix + 0 as i32) as isize) + s[3 as i32 as usize] = *g1.offset((ix + 0 as i32) as isize) * *g2.offset((iy + 0 as i32) as isize) * *g0.offset((iz + 0 as i32) as isize); - s[4 as i32 - as usize] = *g0.offset((ix + 0 as i32) as isize) + s[4 as i32 as usize] = *g0.offset((ix + 0 as i32) as isize) * *g3.offset((iy + 0 as i32) as isize) * *g0.offset((iz + 0 as i32) as isize); - s[5 as i32 - as usize] = *g0.offset((ix + 0 as i32) as isize) + s[5 as i32 as usize] = *g0.offset((ix + 0 as i32) as isize) * *g2.offset((iy + 0 as i32) as isize) * *g1.offset((iz + 0 as i32) as isize); - s[6 as i32 - as usize] = *g1.offset((ix + 0 as i32) as isize) + s[6 as i32 as usize] = *g1.offset((ix + 0 as i32) as isize) * *g0.offset((iy + 0 as i32) as isize) * *g2.offset((iz + 0 as i32) as isize); - s[7 as i32 - as usize] = *g0.offset((ix + 0 as i32) as isize) + s[7 as i32 as usize] = *g0.offset((ix + 0 as i32) as isize) * *g1.offset((iy + 0 as i32) as isize) * *g2.offset((iz + 0 as i32) as isize); - s[8 as i32 - as usize] = *g0.offset((ix + 0 as i32) as isize) + s[8 as i32 as usize] = *g0.offset((ix + 0 as i32) as isize) * *g0.offset((iy + 0 as i32) as isize) * *g3.offset((iz + 0 as i32) as isize); if gout_empty != 0 { - *gout - .offset( - (n * 1 as i32 + 0 as i32) as isize, - ) = -s[0 as usize] - s[4 as usize] - - s[8 as usize]; + *gout.offset((n * 1 as i32 + 0 as i32) as isize) = + -s[0 as usize] - s[4 as usize] - s[8 as usize]; } else { - *gout.offset((n * 1 as i32 + 0 as i32) as isize) - += -s[0 as usize] - s[4 as usize] - - s[8 as usize]; + *gout.offset((n * 1 as i32 + 0 as i32) as isize) += + -s[0 as usize] - s[4 as usize] - s[8 as usize]; } n += 1; n; @@ -122,14 +114,7 @@ pub unsafe extern "C" fn int1e_kin_optimizer( mut env: *mut f64, ) { let mut ng: [i32; 8] = [ - 0 as i32, - 2 as i32, - 0 as i32, - 0 as i32, - 2 as i32, - 1 as i32, - 1 as i32, - 1 as i32, + 0 as i32, 2 as i32, 0 as i32, 0 as i32, 2 as i32, 1 as i32, 1 as i32, 1 as i32, ]; CINTall_1e_optimizer(opt, &ng, atm, natm, bas, nbas, env); } @@ -147,41 +132,16 @@ pub unsafe extern "C" fn int1e_kin_cart( mut cache: *mut f64, ) -> i32 { let mut ng: [i32; 8] = [ - 0 as i32, - 2 as i32, - 0 as i32, - 0 as i32, - 2 as i32, - 1 as i32, - 1 as i32, - 1 as i32, + 0 as i32, 2 as i32, 0 as i32, 0 as i32, 2 as i32, 1 as i32, 1 as i32, 1 as i32, ]; let mut envs: CINTEnvVars = CINTEnvVars::new(); CINTinit_int1e_EnvVars(&mut envs, &ng, shls, atm, natm, bas, nbas, env); - envs - .f_gout = ::core::mem::transmute::< - Option::< - unsafe fn( - *mut f64, - *mut f64, - *mut i32, - &CINTEnvVars, - i32, - ) -> (), - >, - Option:: ()>, - >( - Some( - CINTgout1e_int1e_kin - as unsafe fn( - *mut f64, - *mut f64, - *mut i32, - &CINTEnvVars, - i32, - ) -> (), - ), - ); + envs.f_gout = ::core::mem::transmute::< + Option ()>, + Option ()>, + >(Some( + CINTgout1e_int1e_kin as unsafe fn(*mut f64, *mut f64, *mut i32, &CINTEnvVars, i32) -> (), + )); envs.common_factor *= 0.5f64; return CINT1e_drv( out, @@ -189,28 +149,12 @@ pub unsafe extern "C" fn int1e_kin_cart( &mut envs, cache, ::core::mem::transmute::< - Option::< - unsafe fn( - *mut f64, - *mut f64, - *const i32, - *const CINTEnvVars, - *mut f64, - ) -> (), - >, - Option:: ()>, - >( - Some( - c2s_cart_1e - as unsafe fn( - *mut f64, - *mut f64, - *const i32, - *const CINTEnvVars, - *mut f64, - ) -> (), - ), - ), + Option ()>, + Option ()>, + >(Some( + c2s_cart_1e + as unsafe fn(*mut f64, *mut f64, *const i32, *const CINTEnvVars, *mut f64) -> (), + )), 0 as i32, ); } @@ -228,41 +172,16 @@ pub unsafe extern "C" fn int1e_kin_sph( mut cache: *mut f64, ) -> i32 { let mut ng: [i32; 8] = [ - 0 as i32, - 2 as i32, - 0 as i32, - 0 as i32, - 2 as i32, - 1 as i32, - 1 as i32, - 1 as i32, + 0 as i32, 2 as i32, 0 as i32, 0 as i32, 2 as i32, 1 as i32, 1 as i32, 1 as i32, ]; let mut envs: CINTEnvVars = CINTEnvVars::new(); CINTinit_int1e_EnvVars(&mut envs, &ng, shls, atm, natm, bas, nbas, env); - envs - .f_gout = ::core::mem::transmute::< - Option::< - unsafe fn( - *mut f64, - *mut f64, - *mut i32, - &CINTEnvVars, - i32, - ) -> (), - >, - Option:: ()>, - >( - Some( - CINTgout1e_int1e_kin - as unsafe fn( - *mut f64, - *mut f64, - *mut i32, - &CINTEnvVars, - i32, - ) -> (), - ), - ); + envs.f_gout = ::core::mem::transmute::< + Option ()>, + Option ()>, + >(Some( + CINTgout1e_int1e_kin as unsafe fn(*mut f64, *mut f64, *mut i32, &CINTEnvVars, i32) -> (), + )); envs.common_factor *= 0.5f64; return CINT1e_drv( out, @@ -270,28 +189,12 @@ pub unsafe extern "C" fn int1e_kin_sph( &mut envs, cache, ::core::mem::transmute::< - Option::< - unsafe fn( - *mut f64, - *mut f64, - *const i32, - *const CINTEnvVars, - *mut f64, - ) -> (), - >, - Option:: ()>, - >( - Some( - c2s_sph_1e - as unsafe fn( - *mut f64, - *mut f64, - *const i32, - *const CINTEnvVars, - *mut f64, - ) -> (), - ), - ), + Option ()>, + Option ()>, + >(Some( + c2s_sph_1e + as unsafe fn(*mut f64, *mut f64, *const i32, *const CINTEnvVars, *mut f64) -> (), + )), 0 as i32, ); } @@ -309,41 +212,16 @@ pub unsafe extern "C" fn int1e_kin_spinor( _cache: *mut f64, ) -> i32 { let mut ng: [i32; 8] = [ - 0 as i32, - 2 as i32, - 0 as i32, - 0 as i32, - 2 as i32, - 1 as i32, - 1 as i32, - 1 as i32, + 0 as i32, 2 as i32, 0 as i32, 0 as i32, 2 as i32, 1 as i32, 1 as i32, 1 as i32, ]; let mut envs: CINTEnvVars = CINTEnvVars::new(); CINTinit_int1e_EnvVars(&mut envs, &ng, shls, atm, natm, bas, nbas, env); - envs - .f_gout = ::core::mem::transmute::< - Option::< - unsafe fn( - *mut f64, - *mut f64, - *mut i32, - &CINTEnvVars, - i32, - ) -> (), - >, - Option:: ()>, - >( - Some( - CINTgout1e_int1e_kin - as unsafe fn( - *mut f64, - *mut f64, - *mut i32, - &CINTEnvVars, - i32, - ) -> (), - ), - ); + envs.f_gout = ::core::mem::transmute::< + Option ()>, + Option ()>, + >(Some( + CINTgout1e_int1e_kin as unsafe fn(*mut f64, *mut f64, *mut i32, &CINTEnvVars, i32) -> (), + )); envs.common_factor *= 0.5f64; panic!("Reached end of non-void function without returning"); } diff --git a/src/linalg.rs b/src/linalg.rs index 4367548..f894b44 100644 --- a/src/linalg.rs +++ b/src/linalg.rs @@ -1,11 +1,7 @@ #![allow(non_snake_case, non_upper_case_globals, non_camel_case_types)] #[no_mangle] -pub fn matmult( - n: usize, - A: &[f64], - B: &[f64], -) -> Vec { +pub fn matmult(n: usize, A: &[f64], B: &[f64]) -> Vec { // cij = aik bkj let mut C = vec![0.0; n * n]; for i in 0..n { @@ -19,10 +15,7 @@ pub fn matmult( } #[no_mangle] -pub fn transpose( - n: usize, - C: &[f64], -) -> Vec { +pub fn transpose(n: usize, C: &[f64]) -> Vec { let mut Ct = vec![0.0; n * n]; for i in 0..n { for j in 0..n { @@ -33,10 +26,7 @@ pub fn transpose( } #[no_mangle] -pub fn dcopya( - n: usize, - A: &[f64], -) -> Vec { +pub fn dcopya(n: usize, A: &[f64]) -> Vec { let mut Ac = vec![0.0; n * n]; for i in 0..n { for j in 0..n { @@ -47,24 +37,20 @@ pub fn dcopya( } #[no_mangle] -pub fn sort( - n: usize, - eig: &mut [f64], - U: &mut [f64], -) { +pub fn sort(n: usize, eig: &mut [f64], U: &mut [f64]) { for i in (0..n).rev() { for j in 0..i { - if eig[j] > eig[j+1] { + if eig[j] > eig[j + 1] { let tmp = eig[j]; - eig[j] = eig[j+1]; - eig[j+1] = tmp; + eig[j] = eig[j + 1]; + eig[j + 1] = tmp; for k in 0..n { - let tmp = U[k*n + j]; - U[k*n + j] = U[k*n + j+1]; - U[k*n + j+1] = tmp; + let tmp = U[k * n + j]; + U[k * n + j] = U[k * n + j + 1]; + U[k * n + j + 1] = tmp; } } } } -} \ No newline at end of file +} diff --git a/src/optimizer.rs b/src/optimizer.rs index a5a6a86..2ac64b6 100644 --- a/src/optimizer.rs +++ b/src/optimizer.rs @@ -1,4 +1,13 @@ -#![allow(path_statements, dead_code, mutable_transmutes, non_camel_case_types, non_snake_case, non_upper_case_globals, unused_assignments, unused_mut)] +#![allow( + path_statements, + dead_code, + mutable_transmutes, + non_camel_case_types, + non_snake_case, + non_upper_case_globals, + unused_assignments, + unused_mut +)] use crate::g1e::CINTg1e_index_xyz; use crate::g1e::CINTinit_int1e_EnvVars; @@ -10,18 +19,14 @@ use crate::g2e::CINTinit_int2e_EnvVars; // use crate::g3c1e::CINTg3c1e_index_xyz; // use crate::g3c2e::CINTinit_int3c2e_EnvVars; -use crate::cint::PairData; -use crate::cint::CINTOpt; use crate::cint::CINTEnvVars; +use crate::cint::CINTOpt; +use crate::cint::PairData; extern "C" { fn malloc(_: libc::c_ulong) -> *mut libc::c_void; fn free(__ptr: *mut libc::c_void); - fn memcpy( - _: *mut libc::c_void, - _: *const libc::c_void, - _: libc::c_ulong, - ) -> *mut libc::c_void; + fn memcpy(_: *mut libc::c_void, _: *const libc::c_void, _: libc::c_ulong) -> *mut libc::c_void; } #[no_mangle] @@ -33,9 +38,8 @@ pub unsafe extern "C" fn CINTinit_2e_optimizer( mut nbas: i32, _env: *mut f64, ) { - let mut opt0: *mut CINTOpt = malloc( - ::core::mem::size_of::() as libc::c_ulong, - ) as *mut CINTOpt; + let mut opt0: *mut CINTOpt = + malloc(::core::mem::size_of::() as libc::c_ulong) as *mut CINTOpt; (*opt0).index_xyz_array = 0 as *mut *mut i32; (*opt0).non0ctr = 0 as *mut *mut i32; (*opt0).sortedidx = 0 as *mut *mut i32; @@ -62,25 +66,17 @@ pub unsafe extern "C" fn CINTdel_2e_optimizer(mut opt: *mut *mut CINTOpt) { return; } if !((*opt0).index_xyz_array).is_null() { - free( - *((*opt0).index_xyz_array).offset(0 as isize) - as *mut libc::c_void, - ); + free(*((*opt0).index_xyz_array).offset(0 as isize) as *mut libc::c_void); free((*opt0).index_xyz_array as *mut libc::c_void); } if !((*opt0).non0ctr).is_null() { - free( - *((*opt0).sortedidx).offset(0 as isize) as *mut libc::c_void, - ); + free(*((*opt0).sortedidx).offset(0 as isize) as *mut libc::c_void); free((*opt0).sortedidx as *mut libc::c_void); free(*((*opt0).non0ctr).offset(0 as isize) as *mut libc::c_void); free((*opt0).non0ctr as *mut libc::c_void); } if !((*opt0).log_max_coeff).is_null() { - free( - *((*opt0).log_max_coeff).offset(0 as isize) - as *mut libc::c_void, - ); + free(*((*opt0).log_max_coeff).offset(0 as isize) as *mut libc::c_void); free((*opt0).log_max_coeff as *mut libc::c_void); } CINTdel_pairdata_optimizer(opt0); @@ -112,9 +108,7 @@ unsafe extern "C" fn _make_fakebas( let mut max_l: i32 = 0 as i32; i = 0 as i32; while i < nbas { - max_l = if max_l - > *bas.offset((8 as i32 * i + 1 as i32) as isize) - { + max_l = if max_l > *bas.offset((8 as i32 * i + 1 as i32) as isize) { max_l } else { *bas.offset((8 as i32 * i + 1 as i32) as isize) @@ -144,16 +138,14 @@ unsafe extern "C" fn _allocate_index_xyz( mut order: i32, ) -> *mut i32 { let mut i: i32 = 0; - let mut cumcart: i32 = (l_allow + 1 as i32) - * (l_allow + 2 as i32) * (l_allow + 3 as i32) / 6 as i32; + let mut cumcart: i32 = + (l_allow + 1 as i32) * (l_allow + 2 as i32) * (l_allow + 3 as i32) / 6 as i32; let mut ll: u64 = (max_l + 1 as i32) as u64; let mut cc: u64 = cumcart as u64; i = 1 as i32; while i < order { - ll = (ll as libc::c_ulong).wrapping_mul(16 as libc::c_ulong) - as u64 as u64; - cc = (cc as libc::c_ulong).wrapping_mul(cumcart as libc::c_ulong) as u64 - as u64; + ll = (ll as libc::c_ulong).wrapping_mul(16 as libc::c_ulong) as u64 as u64; + cc = (cc as libc::c_ulong).wrapping_mul(cumcart as libc::c_ulong) as u64 as u64; i += 1; i; } @@ -162,9 +154,9 @@ unsafe extern "C" fn _allocate_index_xyz( .wrapping_mul(cc) .wrapping_mul(3 as libc::c_ulong), ) as *mut i32; - let mut ppbuf: *mut *mut i32 = malloc( - (::core::mem::size_of::<*mut i32>() as libc::c_ulong).wrapping_mul(ll), - ) as *mut *mut i32; + let mut ppbuf: *mut *mut i32 = + malloc((::core::mem::size_of::<*mut i32>() as libc::c_ulong).wrapping_mul(ll)) + as *mut *mut i32; let ref mut fresh0 = *ppbuf.offset(0 as isize); *fresh0 = buf; i = 1 as i32; @@ -179,11 +171,11 @@ unsafe extern "C" fn _allocate_index_xyz( } unsafe extern "C" fn gen_idx( mut opt: *mut CINTOpt, - mut finit: Option:: ()>, - mut findex_xyz: Option:: ()>, + mut finit: Option ()>, + mut findex_xyz: Option ()>, mut order: i32, mut l_allow: i32, - ng: &[i32;8], + ng: &[i32; 8], mut atm: *mut i32, mut natm: i32, mut bas: *mut i32, @@ -209,10 +201,7 @@ unsafe extern "C" fn gen_idx( while j <= l_allow { shls[0 as usize] = i; shls[1 as usize] = j; - ::core::mem::transmute::< - _, - fn(_, _, _, _, _, _, _, _), - >( + ::core::mem::transmute::<_, fn(_, _, _, _, _, _, _, _)>( (Some(finit.expect("non-null function pointer"))) .expect("non-null function pointer"), )( @@ -228,10 +217,7 @@ unsafe extern "C" fn gen_idx( ptr = i * 16 as i32 + j; let ref mut fresh2 = *((*opt).index_xyz_array).offset(ptr as isize); *fresh2 = buf; - ::core::mem::transmute::< - _, - fn(_, _), - >( + ::core::mem::transmute::<_, fn(_, _)>( (Some(findex_xyz.expect("non-null function pointer"))) .expect("non-null function pointer"), )(buf, &mut envs); @@ -252,10 +238,7 @@ unsafe extern "C" fn gen_idx( shls[0 as usize] = i; shls[1 as usize] = j; shls[2 as usize] = k; - ::core::mem::transmute::< - _, - fn(_, _, _, _, _, _, _, _), - >( + ::core::mem::transmute::<_, fn(_, _, _, _, _, _, _, _)>( (Some(finit.expect("non-null function pointer"))) .expect("non-null function pointer"), )( @@ -268,14 +251,10 @@ unsafe extern "C" fn gen_idx( fakenbas, env, ); - ptr = i * 16 as i32 * 16 as i32 - + j * 16 as i32 + k; + ptr = i * 16 as i32 * 16 as i32 + j * 16 as i32 + k; let ref mut fresh3 = *((*opt).index_xyz_array).offset(ptr as isize); *fresh3 = buf; - ::core::mem::transmute::< - _, - fn(_, _), - >( + ::core::mem::transmute::<_, fn(_, _)>( (Some(findex_xyz.expect("non-null function pointer"))) .expect("non-null function pointer"), )(buf, &mut envs); @@ -302,10 +281,7 @@ unsafe extern "C" fn gen_idx( shls[1 as usize] = j; shls[2 as usize] = k; shls[3 as usize] = l; - ::core::mem::transmute::< - _, - fn(_, _, _, _, _, _, _, _), - >( + ::core::mem::transmute::<_, fn(_, _, _, _, _, _, _, _)>( (Some(finit.expect("non-null function pointer"))) .expect("non-null function pointer"), )( @@ -318,17 +294,13 @@ unsafe extern "C" fn gen_idx( fakenbas, env, ); - ptr = i * 16 as i32 * 16 as i32 - * 16 as i32 + ptr = i * 16 as i32 * 16 as i32 * 16 as i32 + j * 16 as i32 * 16 as i32 - + k * 16 as i32 + l; - let ref mut fresh4 = *((*opt).index_xyz_array) - .offset(ptr as isize); + + k * 16 as i32 + + l; + let ref mut fresh4 = *((*opt).index_xyz_array).offset(ptr as isize); *fresh4 = buf; - ::core::mem::transmute::< - _, - fn(_, _), - >( + ::core::mem::transmute::<_, fn(_, _)>( (Some(findex_xyz.expect("non-null function pointer"))) .expect("non-null function pointer"), )(buf, &mut envs); @@ -350,7 +322,7 @@ unsafe extern "C" fn gen_idx( #[no_mangle] pub unsafe extern "C" fn CINTall_1e_optimizer( mut opt: *mut *mut CINTOpt, - ng: &[i32;8], + ng: &[i32; 8], mut atm: *mut i32, mut natm: i32, mut bas: *mut i32, @@ -363,10 +335,10 @@ pub unsafe extern "C" fn CINTall_1e_optimizer( gen_idx( *opt, ::core::mem::transmute::< - Option::< + Option< unsafe fn( *mut CINTEnvVars, - &[i32;8], + &[i32; 8], *mut i32, *mut i32, i32, @@ -375,31 +347,26 @@ pub unsafe extern "C" fn CINTall_1e_optimizer( *mut f64, ) -> (), >, - Option:: ()>, - >( - Some( - CINTinit_int1e_EnvVars - as unsafe fn( - *mut CINTEnvVars, - &[i32;8], - *mut i32, - *mut i32, - i32, - *mut i32, - i32, - *mut f64, - ) -> (), - ), - ), + Option ()>, + >(Some( + CINTinit_int1e_EnvVars + as unsafe fn( + *mut CINTEnvVars, + &[i32; 8], + *mut i32, + *mut i32, + i32, + *mut i32, + i32, + *mut f64, + ) -> (), + )), ::core::mem::transmute::< - Option:: ()>, - Option:: ()>, - >( - Some( - CINTg1e_index_xyz - as unsafe fn(*mut i32, &CINTEnvVars) -> (), - ), - ), + Option ()>, + Option ()>, + >(Some( + CINTg1e_index_xyz as unsafe fn(*mut i32, &CINTEnvVars) -> (), + )), 2 as i32, 15 as i32, ng, @@ -413,7 +380,7 @@ pub unsafe extern "C" fn CINTall_1e_optimizer( #[no_mangle] pub unsafe extern "C" fn CINTall_2e_optimizer( mut opt: *mut *mut CINTOpt, - ng: &[i32;8], + ng: &[i32; 8], mut atm: *mut i32, mut natm: i32, mut bas: *mut i32, @@ -426,10 +393,10 @@ pub unsafe extern "C" fn CINTall_2e_optimizer( gen_idx( *opt, ::core::mem::transmute::< - Option::< + Option< unsafe extern "C" fn( *mut CINTEnvVars, - &[i32;8], + &[i32; 8], *mut i32, *mut i32, i32, @@ -438,31 +405,26 @@ pub unsafe extern "C" fn CINTall_2e_optimizer( *mut f64, ) -> (), >, - Option:: ()>, - >( - Some( - CINTinit_int2e_EnvVars - as unsafe extern "C" fn( - *mut CINTEnvVars, - &[i32;8], - *mut i32, - *mut i32, - i32, - *mut i32, - i32, - *mut f64, - ) -> (), - ), - ), + Option ()>, + >(Some( + CINTinit_int2e_EnvVars + as unsafe extern "C" fn( + *mut CINTEnvVars, + &[i32; 8], + *mut i32, + *mut i32, + i32, + *mut i32, + i32, + *mut f64, + ) -> (), + )), ::core::mem::transmute::< - Option:: ()>, - Option:: ()>, - >( - Some( - CINTg2e_index_xyz - as unsafe fn(*mut i32, &CINTEnvVars) -> (), - ), - ), + Option ()>, + Option ()>, + >(Some( + CINTg2e_index_xyz as unsafe fn(*mut i32, &CINTEnvVars) -> (), + )), 4 as i32, 6 as i32, ng, @@ -770,38 +732,27 @@ pub unsafe extern "C" fn CINTOpt_set_log_maxc( i = 0 as i32; while i < nbas { tot_prim = (tot_prim as libc::c_ulong) - .wrapping_add( - *bas.offset((8 as i32 * i + 2 as i32) as isize) - as libc::c_ulong, - ) as u64 as u64; + .wrapping_add(*bas.offset((8 as i32 * i + 2 as i32) as isize) as libc::c_ulong) + as u64 as u64; i += 1; i; } if tot_prim == 0 as libc::c_ulong { return; } - (*opt) - .log_max_coeff = malloc( + (*opt).log_max_coeff = malloc( (::core::mem::size_of::<*mut f64>() as libc::c_ulong) - .wrapping_mul( - (if nbas > 1 as i32 { nbas } else { 1 as i32 }) - as libc::c_ulong, - ), + .wrapping_mul((if nbas > 1 as i32 { nbas } else { 1 as i32 }) as libc::c_ulong), ) as *mut *mut f64; - let mut plog_maxc: *mut f64 = malloc( - (::core::mem::size_of::() as libc::c_ulong) - .wrapping_mul(tot_prim), - ) as *mut f64; + let mut plog_maxc: *mut f64 = + malloc((::core::mem::size_of::() as libc::c_ulong).wrapping_mul(tot_prim)) as *mut f64; let ref mut fresh5 = *((*opt).log_max_coeff).offset(0 as isize); *fresh5 = plog_maxc; i = 0 as i32; while i < nbas { iprim = *bas.offset((8 as i32 * i + 2 as i32) as isize); ictr = *bas.offset((8 as i32 * i + 3 as i32) as isize); - ci = env - .offset( - *bas.offset((8 as i32 * i + 6 as i32) as isize) as isize, - ); + ci = env.offset(*bas.offset((8 as i32 * i + 6 as i32) as isize) as isize); let ref mut fresh6 = *((*opt).log_max_coeff).offset(i as isize); *fresh6 = plog_maxc; CINTOpt_log_max_pgto_coeff(plog_maxc, ci, iprim, ictr); @@ -834,8 +785,7 @@ pub unsafe fn CINTset_pairdata( let mut eij: f64 = 0.; let mut cceij: f64 = 0.; let mut wj: f64 = 0.; - aij = *ai.offset((iprim - 1 as i32) as isize) - + *aj.offset((jprim - 1 as i32) as isize); + aij = *ai.offset((iprim - 1 as i32) as isize) + *aj.offset((jprim - 1 as i32) as isize); let mut log_rr_ij: f64 = 1.7f64 - 1.5f64 * (aij).ln(); let mut lij: i32 = li_ceil + lj_ceil; if lij > 0 as i32 { @@ -857,34 +807,21 @@ pub unsafe fn CINTset_pairdata( while jp < jprim { ip = 0 as i32; while ip < iprim { - aij = 1 as f64 - / (*ai.offset(ip as isize) + *aj.offset(jp as isize)); + aij = 1 as f64 / (*ai.offset(ip as isize) + *aj.offset(jp as isize)); eij = rr_ij * *ai.offset(ip as isize) * *aj.offset(jp as isize) * aij; - cceij = eij - log_rr_ij - *log_maxci.offset(ip as isize) - - *log_maxcj.offset(jp as isize); + cceij = + eij - log_rr_ij - *log_maxci.offset(ip as isize) - *log_maxcj.offset(jp as isize); pdata = pairdata.offset(n as isize); (*pdata).cceij = cceij; if cceij < expcutoff { empty = 0 as i32; wj = *aj.offset(jp as isize) * aij; - (*pdata) - .rij[0 as i32 - as usize] = *ri.offset(0 as isize) - + wj - * (*rj.offset(0 as isize) - - *ri.offset(0 as isize)); - (*pdata) - .rij[1 as i32 - as usize] = *ri.offset(1 as isize) - + wj - * (*rj.offset(1 as isize) - - *ri.offset(1 as isize)); - (*pdata) - .rij[2 as i32 - as usize] = *ri.offset(2 as isize) - + wj - * (*rj.offset(2 as isize) - - *ri.offset(2 as isize)); + (*pdata).rij[0 as i32 as usize] = + *ri.offset(0 as isize) + wj * (*rj.offset(0 as isize) - *ri.offset(0 as isize)); + (*pdata).rij[1 as i32 as usize] = + *ri.offset(1 as isize) + wj * (*rj.offset(1 as isize) - *ri.offset(1 as isize)); + (*pdata).rij[2 as i32 as usize] = + *ri.offset(2 as isize) + wj * (*rj.offset(2 as isize) - *ri.offset(2 as isize)); (*pdata).eij = (-eij).exp(); } else { (*pdata).rij[0 as usize] = 1e18f64; @@ -905,7 +842,7 @@ pub unsafe fn CINTset_pairdata( #[no_mangle] pub unsafe extern "C" fn CINTOpt_setij( mut opt: *mut CINTOpt, - ng: &[i32;8], + ng: &[i32; 8], mut atm: *mut i32, mut natm: i32, mut bas: *mut i32, @@ -928,9 +865,7 @@ pub unsafe extern "C" fn CINTOpt_setij( if *env.offset(0 as isize) == 0 as f64 { expcutoff = 60 as f64; } else { - expcutoff = if 40 as f64 - > *env.offset(0 as isize) - { + expcutoff = if 40 as f64 > *env.offset(0 as isize) { 40 as f64 } else { *env.offset(0 as isize) @@ -946,28 +881,22 @@ pub unsafe extern "C" fn CINTOpt_setij( i = 0 as i32; while i < nbas { tot_prim = (tot_prim as libc::c_ulong) - .wrapping_add( - *bas.offset((8 as i32 * i + 2 as i32) as isize) - as libc::c_ulong, - ) as u64 as u64; + .wrapping_add(*bas.offset((8 as i32 * i + 2 as i32) as isize) as libc::c_ulong) + as u64 as u64; i += 1; i; } - if tot_prim == 0 as libc::c_ulong - || tot_prim > 2048 as libc::c_ulong - { + if tot_prim == 0 as libc::c_ulong || tot_prim > 2048 as libc::c_ulong { return; } - (*opt) - .pairdata = malloc( - (::core::mem::size_of::<*mut PairData>() as libc::c_ulong) - .wrapping_mul( - (if nbas * nbas > 1 as i32 { - nbas * nbas - } else { - 1 as i32 - }) as libc::c_ulong, - ), + (*opt).pairdata = malloc( + (::core::mem::size_of::<*mut PairData>() as libc::c_ulong).wrapping_mul( + (if nbas * nbas > 1 as i32 { + nbas * nbas + } else { + 1 as i32 + }) as libc::c_ulong, + ), ) as *mut *mut PairData; let mut pdata: *mut PairData = malloc( (::core::mem::size_of::() as libc::c_ulong) @@ -987,55 +916,28 @@ pub unsafe extern "C" fn CINTOpt_setij( let mut pdata0: *mut PairData = 0 as *mut PairData; i = 0 as i32; while i < nbas { - ri = env - .offset( - *atm - .offset( - (6 as i32 - * *bas - .offset((8 as i32 * i + 0 as i32) as isize) - + 1 as i32) as isize, - ) as isize, - ); - ai = env - .offset( - *bas.offset((8 as i32 * i + 5 as i32) as isize) as isize, - ); + ri = env.offset(*atm.offset( + (6 as i32 * *bas.offset((8 as i32 * i + 0 as i32) as isize) + 1 as i32) as isize, + ) as isize); + ai = env.offset(*bas.offset((8 as i32 * i + 5 as i32) as isize) as isize); iprim = *bas.offset((8 as i32 * i + 2 as i32) as isize); li = *bas.offset((8 as i32 * i + 1 as i32) as isize); log_maxci = *log_max_coeff.offset(i as isize); j = 0 as i32; while j <= i { - rj = env - .offset( - *atm - .offset( - (6 as i32 - * *bas - .offset((8 as i32 * j + 0 as i32) as isize) - + 1 as i32) as isize, - ) as isize, - ); - aj = env - .offset( - *bas.offset((8 as i32 * j + 5 as i32) as isize) - as isize, - ); + rj = env.offset(*atm.offset( + (6 as i32 * *bas.offset((8 as i32 * j + 0 as i32) as isize) + 1 as i32) as isize, + ) as isize); + aj = env.offset(*bas.offset((8 as i32 * j + 5 as i32) as isize) as isize); jprim = *bas.offset((8 as i32 * j + 2 as i32) as isize); lj = *bas.offset((8 as i32 * j + 1 as i32) as isize); log_maxcj = *log_max_coeff.offset(j as isize); - rr = (*ri.offset(0 as isize) - - *rj.offset(0 as isize)) - * (*ri.offset(0 as isize) - - *rj.offset(0 as isize)) - + (*ri.offset(1 as isize) - - *rj.offset(1 as isize)) - * (*ri.offset(1 as isize) - - *rj.offset(1 as isize)) - + (*ri.offset(2 as isize) - - *rj.offset(2 as isize)) - * (*ri.offset(2 as isize) - - *rj.offset(2 as isize)); + rr = (*ri.offset(0 as isize) - *rj.offset(0 as isize)) + * (*ri.offset(0 as isize) - *rj.offset(0 as isize)) + + (*ri.offset(1 as isize) - *rj.offset(1 as isize)) + * (*ri.offset(1 as isize) - *rj.offset(1 as isize)) + + (*ri.offset(2 as isize) - *rj.offset(2 as isize)) + * (*ri.offset(2 as isize) - *rj.offset(2 as isize)); empty = CINTset_pairdata( pdata, ai, @@ -1053,8 +955,7 @@ pub unsafe extern "C" fn CINTOpt_setij( env, ); if i == 0 as i32 && j == 0 as i32 { - let ref mut fresh8 = *((*opt).pairdata) - .offset(0 as isize); + let ref mut fresh8 = *((*opt).pairdata).offset(0 as isize); *fresh8 = pdata; pdata = pdata.offset((iprim * jprim) as isize); } else if empty == 0 { @@ -1062,8 +963,7 @@ pub unsafe extern "C" fn CINTOpt_setij( *fresh9 = pdata; pdata = pdata.offset((iprim * jprim) as isize); if i != j { - let ref mut fresh10 = *((*opt).pairdata) - .offset((j * nbas + i) as isize); + let ref mut fresh10 = *((*opt).pairdata).offset((j * nbas + i) as isize); *fresh10 = pdata; pdata0 = *((*opt).pairdata).offset((i * nbas + j) as isize); ip = 0 as i32; @@ -1087,11 +987,11 @@ pub unsafe extern "C" fn CINTOpt_setij( } } else { let ref mut fresh11 = *((*opt).pairdata).offset((i * nbas + j) as isize); - *fresh11 = 0xffffffffffffffff as libc::c_ulong as *mut libc::c_void - as *mut PairData; + *fresh11 = + 0xffffffffffffffff as libc::c_ulong as *mut libc::c_void as *mut PairData; let ref mut fresh12 = *((*opt).pairdata).offset((j * nbas + i) as isize); - *fresh12 = 0xffffffffffffffff as libc::c_ulong as *mut libc::c_void - as *mut PairData; + *fresh12 = + 0xffffffffffffffff as libc::c_ulong as *mut libc::c_void as *mut PairData; } j += 1; j; @@ -1103,9 +1003,7 @@ pub unsafe extern "C" fn CINTOpt_setij( #[no_mangle] pub unsafe extern "C" fn CINTdel_pairdata_optimizer(mut cintopt: *mut CINTOpt) { if !cintopt.is_null() && !((*cintopt).pairdata).is_null() { - free( - *((*cintopt).pairdata).offset(0 as isize) as *mut libc::c_void, - ); + free(*((*cintopt).pairdata).offset(0 as isize) as *mut libc::c_void); free((*cintopt).pairdata as *mut libc::c_void); (*cintopt).pairdata = 0 as *mut *mut PairData; } @@ -1123,16 +1021,14 @@ pub unsafe extern "C" fn CINTOpt_non0coeff_byshell( let mut k: i32 = 0; let mut kp: i32 = 0; let vla = ictr as usize; - let mut zeroidx: Vec:: = ::std::vec::from_elem(0, vla); + let mut zeroidx: Vec = ::std::vec::from_elem(0, vla); ip = 0 as i32; while ip < iprim { j = 0 as i32; k = 0 as i32; kp = 0 as i32; while j < ictr { - if *ci.offset((iprim * j + ip) as isize) - != 0 as f64 - { + if *ci.offset((iprim * j + ip) as isize) != 0 as f64 { *sortedidx.offset(k as isize) = j; k += 1; k; @@ -1146,8 +1042,7 @@ pub unsafe extern "C" fn CINTOpt_non0coeff_byshell( } j = 0 as i32; while j < kp { - *sortedidx - .offset((k + j) as isize) = *zeroidx.as_mut_ptr().offset(j as isize); + *sortedidx.offset((k + j) as isize) = *zeroidx.as_mut_ptr().offset(j as isize); j += 1; j; } @@ -1175,45 +1070,31 @@ pub unsafe extern "C" fn CINTOpt_set_non0coeff( i = 0 as i32; while i < nbas { tot_prim = (tot_prim as libc::c_ulong) - .wrapping_add( - *bas.offset((8 as i32 * i + 2 as i32) as isize) - as libc::c_ulong, - ) as u64 as u64; - tot_prim_ctr = (tot_prim_ctr as libc::c_ulong) - .wrapping_add( - (*bas.offset((8 as i32 * i + 2 as i32) as isize) - * *bas.offset((8 as i32 * i + 3 as i32) as isize)) - as libc::c_ulong, - ) as u64 as u64; + .wrapping_add(*bas.offset((8 as i32 * i + 2 as i32) as isize) as libc::c_ulong) + as u64 as u64; + tot_prim_ctr = (tot_prim_ctr as libc::c_ulong).wrapping_add( + (*bas.offset((8 as i32 * i + 2 as i32) as isize) + * *bas.offset((8 as i32 * i + 3 as i32) as isize)) as libc::c_ulong, + ) as u64 as u64; i += 1; i; } if tot_prim == 0 as libc::c_ulong { return; } - (*opt) - .non0ctr = malloc( + (*opt).non0ctr = malloc( (::core::mem::size_of::<*mut i32>() as libc::c_ulong) - .wrapping_mul( - (if nbas > 1 as i32 { nbas } else { 1 as i32 }) - as libc::c_ulong, - ), + .wrapping_mul((if nbas > 1 as i32 { nbas } else { 1 as i32 }) as libc::c_ulong), ) as *mut *mut i32; - (*opt) - .sortedidx = malloc( + (*opt).sortedidx = malloc( (::core::mem::size_of::<*mut i32>() as libc::c_ulong) - .wrapping_mul( - (if nbas > 1 as i32 { nbas } else { 1 as i32 }) - as libc::c_ulong, - ), + .wrapping_mul((if nbas > 1 as i32 { nbas } else { 1 as i32 }) as libc::c_ulong), ) as *mut *mut i32; - let mut pnon0ctr: *mut i32 = malloc( - (::core::mem::size_of::() as libc::c_ulong).wrapping_mul(tot_prim), - ) as *mut i32; - let mut psortedidx: *mut i32 = malloc( - (::core::mem::size_of::() as libc::c_ulong) - .wrapping_mul(tot_prim_ctr), - ) as *mut i32; + let mut pnon0ctr: *mut i32 = + malloc((::core::mem::size_of::() as libc::c_ulong).wrapping_mul(tot_prim)) as *mut i32; + let mut psortedidx: *mut i32 = + malloc((::core::mem::size_of::() as libc::c_ulong).wrapping_mul(tot_prim_ctr)) + as *mut i32; let ref mut fresh13 = *((*opt).non0ctr).offset(0 as isize); *fresh13 = pnon0ctr; let ref mut fresh14 = *((*opt).sortedidx).offset(0 as isize); @@ -1222,10 +1103,7 @@ pub unsafe extern "C" fn CINTOpt_set_non0coeff( while i < nbas { iprim = *bas.offset((8 as i32 * i + 2 as i32) as isize); ictr = *bas.offset((8 as i32 * i + 3 as i32) as isize); - ci = env - .offset( - *bas.offset((8 as i32 * i + 6 as i32) as isize) as isize, - ); + ci = env.offset(*bas.offset((8 as i32 * i + 6 as i32) as isize) as isize); let ref mut fresh15 = *((*opt).non0ctr).offset(i as isize); *fresh15 = pnon0ctr; let ref mut fresh16 = *((*opt).sortedidx).offset(i as isize); diff --git a/src/rys_roots.rs b/src/rys_roots.rs index 173d6a2..d459a37 100644 --- a/src/rys_roots.rs +++ b/src/rys_roots.rs @@ -1,13 +1,22 @@ -#![allow(path_statements, dead_code, mutable_transmutes, non_camel_case_types, non_snake_case, non_upper_case_globals, unused_assignments, unused_mut)] +#![allow( + path_statements, + dead_code, + mutable_transmutes, + non_camel_case_types, + non_snake_case, + non_upper_case_globals, + unused_assignments, + unused_mut +)] use crate::find_roots::_CINT_polynomial_roots; use crate::fmt::fmt_erfc_like; use crate::fmt::fmt_lerfc_like; use crate::fmt::gamma_inc_like; use crate::fmt::lgamma_inc_like; +use crate::rys_wheeler::CINTlrys_jacobi; use crate::rys_wheeler::CINTlrys_laguerre; use crate::rys_wheeler::CINTrys_jacobi; -use crate::rys_wheeler::CINTlrys_jacobi; extern "C" { fn exp(_: f64) -> f64; @@ -16,13 +25,7 @@ extern "C" { fn sqrt(_: f64) -> f64; } -pub type QuadratureFunction = unsafe extern "C" fn( - i32, - f64, - f64, - *mut f64, - *mut f64, -) -> i32; +pub type QuadratureFunction = unsafe extern "C" fn(i32, f64, f64, *mut f64, *mut f64) -> i32; static mut POLY_SMALLX_R0: [f64; 496] = [ 5.0000000000000000e-01f64, 1.3069360623708470e-01f64, @@ -3018,8 +3021,8 @@ unsafe extern "C" fn segment_solve( mut u: *mut f64, mut w: *mut f64, mut breakpoint: f64, - mut fn1: Option::, - mut fn2: Option::, + mut fn1: Option, + mut fn2: Option, ) -> i32 { let mut error: i32 = 0; if x <= breakpoint { @@ -3040,28 +3043,20 @@ pub unsafe extern "C" fn CINTrys_roots( mut w: *mut f64, ) { if x <= 3e-7f64 { - let mut off: i32 = nroots * (nroots - 1 as i32) - / 2 as i32; + let mut off: i32 = nroots * (nroots - 1 as i32) / 2 as i32; let mut i: i32 = 0; i = 0 as i32; while i < nroots { - *u - .offset( - i as isize, - ) = POLY_SMALLX_R0[(off + i) as usize] - + POLY_SMALLX_R1[(off + i) as usize] * x; - *w - .offset( - i as isize, - ) = POLY_SMALLX_W0[(off + i) as usize] - + POLY_SMALLX_W1[(off + i) as usize] * x; + *u.offset(i as isize) = + POLY_SMALLX_R0[(off + i) as usize] + POLY_SMALLX_R1[(off + i) as usize] * x; + *w.offset(i as isize) = + POLY_SMALLX_W0[(off + i) as usize] + POLY_SMALLX_W1[(off + i) as usize] * x; i += 1; i; } return; } else if x >= (35 as i32 + nroots * 5 as i32) as f64 { - let mut off_0: i32 = nroots * (nroots - 1 as i32) - / 2 as i32; + let mut off_0: i32 = nroots * (nroots - 1 as i32) / 2 as i32; let mut i_0: i32 = 0; let mut rt: f64 = 0.; let mut t: f64 = sqrt(0.78539816339744827900f64 / x); @@ -3102,23 +3097,11 @@ pub unsafe extern "C" fn CINTrys_roots( 11 as f64, Some( CINTrys_jacobi - as unsafe extern "C" fn( - i32, - f64, - f64, - *mut f64, - *mut f64, - ) -> i32, + as unsafe extern "C" fn(i32, f64, f64, *mut f64, *mut f64) -> i32, ), Some( CINTrys_schmidt - as unsafe extern "C" fn( - i32, - f64, - f64, - *mut f64, - *mut f64, - ) -> i32, + as unsafe extern "C" fn(i32, f64, f64, *mut f64, *mut f64) -> i32, ), ); } @@ -3132,23 +3115,11 @@ pub unsafe extern "C" fn CINTrys_roots( 11 as f64, Some( CINTrys_jacobi - as unsafe extern "C" fn( - i32, - f64, - f64, - *mut f64, - *mut f64, - ) -> i32, + as unsafe extern "C" fn(i32, f64, f64, *mut f64, *mut f64) -> i32, ), Some( CINTlrys_schmidt - as unsafe extern "C" fn( - i32, - f64, - f64, - *mut f64, - *mut f64, - ) -> i32, + as unsafe extern "C" fn(i32, f64, f64, *mut f64, *mut f64) -> i32, ), ); } @@ -3162,23 +3133,11 @@ pub unsafe extern "C" fn CINTrys_roots( 10 as f64, Some( CINTlrys_jacobi - as unsafe extern "C" fn( - i32, - f64, - f64, - *mut f64, - *mut f64, - ) -> i32, + as unsafe extern "C" fn(i32, f64, f64, *mut f64, *mut f64) -> i32, ), Some( CINTlrys_laguerre - as unsafe extern "C" fn( - i32, - f64, - f64, - *mut f64, - *mut f64, - ) -> i32, + as unsafe extern "C" fn(i32, f64, f64, *mut f64, *mut f64) -> i32, ), ); } @@ -3192,23 +3151,11 @@ pub unsafe extern "C" fn CINTrys_roots( 18 as f64, Some( CINTlrys_jacobi - as unsafe extern "C" fn( - i32, - f64, - f64, - *mut f64, - *mut f64, - ) -> i32, + as unsafe extern "C" fn(i32, f64, f64, *mut f64, *mut f64) -> i32, ), Some( CINTlrys_laguerre - as unsafe extern "C" fn( - i32, - f64, - f64, - *mut f64, - *mut f64, - ) -> i32, + as unsafe extern "C" fn(i32, f64, f64, *mut f64, *mut f64) -> i32, ), ); } @@ -3222,23 +3169,11 @@ pub unsafe extern "C" fn CINTrys_roots( 22 as f64, Some( CINTlrys_jacobi - as unsafe extern "C" fn( - i32, - f64, - f64, - *mut f64, - *mut f64, - ) -> i32, + as unsafe extern "C" fn(i32, f64, f64, *mut f64, *mut f64) -> i32, ), Some( CINTlrys_laguerre - as unsafe extern "C" fn( - i32, - f64, - f64, - *mut f64, - *mut f64, - ) -> i32, + as unsafe extern "C" fn(i32, f64, f64, *mut f64, *mut f64) -> i32, ), ); } @@ -3252,23 +3187,11 @@ pub unsafe extern "C" fn CINTrys_roots( 50 as f64, Some( CINTlrys_jacobi - as unsafe extern "C" fn( - i32, - f64, - f64, - *mut f64, - *mut f64, - ) -> i32, + as unsafe extern "C" fn(i32, f64, f64, *mut f64, *mut f64) -> i32, ), Some( CINTlrys_laguerre - as unsafe extern "C" fn( - i32, - f64, - f64, - *mut f64, - *mut f64, - ) -> i32, + as unsafe extern "C" fn(i32, f64, f64, *mut f64, *mut f64) -> i32, ), ); } @@ -3287,9 +3210,9 @@ unsafe extern "C" fn segment_solve1( mut lower_bp1: f64, mut lower_bp2: f64, mut breakpoint: f64, - mut fn1: Option::, - mut fn2: Option::, - mut fn3: Option::, + mut fn1: Option, + mut fn2: Option, + mut fn3: Option, ) -> i32 { let mut error: i32 = 0; if lower < lower_bp1 { @@ -3301,7 +3224,7 @@ unsafe extern "C" fn segment_solve1( } else if lower < lower_bp2 { error = fn3.expect("non-null function pointer")(n, x, lower, u, w); } else { - return 1 as i32 + return 1 as i32; } if error != 0 { error = CINTlrys_schmidt(n, x, lower, u, w); @@ -3341,23 +3264,11 @@ pub unsafe extern "C" fn CINTsr_rys_roots( 10 as f64, Some( CINTlrys_jacobi - as unsafe extern "C" fn( - i32, - f64, - f64, - *mut f64, - *mut f64, - ) -> i32, + as unsafe extern "C" fn(i32, f64, f64, *mut f64, *mut f64) -> i32, ), Some( CINTlrys_laguerre - as unsafe extern "C" fn( - i32, - f64, - f64, - *mut f64, - *mut f64, - ) -> i32, + as unsafe extern "C" fn(i32, f64, f64, *mut f64, *mut f64) -> i32, ), ); } else { @@ -3377,23 +3288,11 @@ pub unsafe extern "C" fn CINTsr_rys_roots( 10 as f64, Some( CINTlrys_jacobi - as unsafe extern "C" fn( - i32, - f64, - f64, - *mut f64, - *mut f64, - ) -> i32, + as unsafe extern "C" fn(i32, f64, f64, *mut f64, *mut f64) -> i32, ), Some( CINTlrys_laguerre - as unsafe extern "C" fn( - i32, - f64, - f64, - *mut f64, - *mut f64, - ) -> i32, + as unsafe extern "C" fn(i32, f64, f64, *mut f64, *mut f64) -> i32, ), ); } else { @@ -3411,23 +3310,11 @@ pub unsafe extern "C" fn CINTsr_rys_roots( 50 as f64, Some( CINTrys_schmidt - as unsafe extern "C" fn( - i32, - f64, - f64, - *mut f64, - *mut f64, - ) -> i32, + as unsafe extern "C" fn(i32, f64, f64, *mut f64, *mut f64) -> i32, ), Some( CINTlrys_laguerre - as unsafe extern "C" fn( - i32, - f64, - f64, - *mut f64, - *mut f64, - ) -> i32, + as unsafe extern "C" fn(i32, f64, f64, *mut f64, *mut f64) -> i32, ), ); } else if lower < 0.8f64 { @@ -3440,23 +3327,11 @@ pub unsafe extern "C" fn CINTsr_rys_roots( 10 as f64, Some( CINTlrys_jacobi - as unsafe extern "C" fn( - i32, - f64, - f64, - *mut f64, - *mut f64, - ) -> i32, + as unsafe extern "C" fn(i32, f64, f64, *mut f64, *mut f64) -> i32, ), Some( CINTlrys_laguerre - as unsafe extern "C" fn( - i32, - f64, - f64, - *mut f64, - *mut f64, - ) -> i32, + as unsafe extern "C" fn(i32, f64, f64, *mut f64, *mut f64) -> i32, ), ); } else { @@ -3474,23 +3349,11 @@ pub unsafe extern "C" fn CINTsr_rys_roots( 60 as f64, Some( CINTrys_schmidt - as unsafe extern "C" fn( - i32, - f64, - f64, - *mut f64, - *mut f64, - ) -> i32, + as unsafe extern "C" fn(i32, f64, f64, *mut f64, *mut f64) -> i32, ), Some( CINTlrys_laguerre - as unsafe extern "C" fn( - i32, - f64, - f64, - *mut f64, - *mut f64, - ) -> i32, + as unsafe extern "C" fn(i32, f64, f64, *mut f64, *mut f64) -> i32, ), ); } else if lower < 0.8f64 { @@ -3503,23 +3366,11 @@ pub unsafe extern "C" fn CINTsr_rys_roots( 10 as f64, Some( CINTlrys_jacobi - as unsafe extern "C" fn( - i32, - f64, - f64, - *mut f64, - *mut f64, - ) -> i32, + as unsafe extern "C" fn(i32, f64, f64, *mut f64, *mut f64) -> i32, ), Some( CINTlrys_laguerre - as unsafe extern "C" fn( - i32, - f64, - f64, - *mut f64, - *mut f64, - ) -> i32, + as unsafe extern "C" fn(i32, f64, f64, *mut f64, *mut f64) -> i32, ), ); } else { @@ -3538,33 +3389,15 @@ pub unsafe extern "C" fn CINTsr_rys_roots( 60 as f64, Some( CINTlrys_jacobi - as unsafe extern "C" fn( - i32, - f64, - f64, - *mut f64, - *mut f64, - ) -> i32, + as unsafe extern "C" fn(i32, f64, f64, *mut f64, *mut f64) -> i32, ), Some( CINTlrys_laguerre - as unsafe extern "C" fn( - i32, - f64, - f64, - *mut f64, - *mut f64, - ) -> i32, + as unsafe extern "C" fn(i32, f64, f64, *mut f64, *mut f64) -> i32, ), Some( CINTlrys_jacobi - as unsafe extern "C" fn( - i32, - f64, - f64, - *mut f64, - *mut f64, - ) -> i32, + as unsafe extern "C" fn(i32, f64, f64, *mut f64, *mut f64) -> i32, ), ); } @@ -3580,33 +3413,15 @@ pub unsafe extern "C" fn CINTsr_rys_roots( 60 as f64, Some( CINTlrys_jacobi - as unsafe extern "C" fn( - i32, - f64, - f64, - *mut f64, - *mut f64, - ) -> i32, + as unsafe extern "C" fn(i32, f64, f64, *mut f64, *mut f64) -> i32, ), Some( CINTlrys_laguerre - as unsafe extern "C" fn( - i32, - f64, - f64, - *mut f64, - *mut f64, - ) -> i32, + as unsafe extern "C" fn(i32, f64, f64, *mut f64, *mut f64) -> i32, ), Some( CINTlrys_jacobi - as unsafe extern "C" fn( - i32, - f64, - f64, - *mut f64, - *mut f64, - ) -> i32, + as unsafe extern "C" fn(i32, f64, f64, *mut f64, *mut f64) -> i32, ), ); } @@ -3622,33 +3437,15 @@ pub unsafe extern "C" fn CINTsr_rys_roots( 60 as f64, Some( CINTlrys_jacobi - as unsafe extern "C" fn( - i32, - f64, - f64, - *mut f64, - *mut f64, - ) -> i32, + as unsafe extern "C" fn(i32, f64, f64, *mut f64, *mut f64) -> i32, ), Some( CINTlrys_laguerre - as unsafe extern "C" fn( - i32, - f64, - f64, - *mut f64, - *mut f64, - ) -> i32, + as unsafe extern "C" fn(i32, f64, f64, *mut f64, *mut f64) -> i32, ), Some( CINTlrys_jacobi - as unsafe extern "C" fn( - i32, - f64, - f64, - *mut f64, - *mut f64, - ) -> i32, + as unsafe extern "C" fn(i32, f64, f64, *mut f64, *mut f64) -> i32, ), ); } @@ -3664,33 +3461,15 @@ pub unsafe extern "C" fn CINTsr_rys_roots( 60 as f64, Some( CINTlrys_jacobi - as unsafe extern "C" fn( - i32, - f64, - f64, - *mut f64, - *mut f64, - ) -> i32, + as unsafe extern "C" fn(i32, f64, f64, *mut f64, *mut f64) -> i32, ), Some( CINTlrys_laguerre - as unsafe extern "C" fn( - i32, - f64, - f64, - *mut f64, - *mut f64, - ) -> i32, + as unsafe extern "C" fn(i32, f64, f64, *mut f64, *mut f64) -> i32, ), Some( CINTlrys_jacobi - as unsafe extern "C" fn( - i32, - f64, - f64, - *mut f64, - *mut f64, - ) -> i32, + as unsafe extern "C" fn(i32, f64, f64, *mut f64, *mut f64) -> i32, ), ); } @@ -3706,33 +3485,15 @@ pub unsafe extern "C" fn CINTsr_rys_roots( 60 as f64, Some( CINTlrys_jacobi - as unsafe extern "C" fn( - i32, - f64, - f64, - *mut f64, - *mut f64, - ) -> i32, + as unsafe extern "C" fn(i32, f64, f64, *mut f64, *mut f64) -> i32, ), Some( CINTlrys_laguerre - as unsafe extern "C" fn( - i32, - f64, - f64, - *mut f64, - *mut f64, - ) -> i32, + as unsafe extern "C" fn(i32, f64, f64, *mut f64, *mut f64) -> i32, ), Some( CINTlrys_jacobi - as unsafe extern "C" fn( - i32, - f64, - f64, - *mut f64, - *mut f64, - ) -> i32, + as unsafe extern "C" fn(i32, f64, f64, *mut f64, *mut f64) -> i32, ), ); } @@ -3748,33 +3509,15 @@ pub unsafe extern "C" fn CINTsr_rys_roots( 60 as f64, Some( CINTlrys_jacobi - as unsafe extern "C" fn( - i32, - f64, - f64, - *mut f64, - *mut f64, - ) -> i32, + as unsafe extern "C" fn(i32, f64, f64, *mut f64, *mut f64) -> i32, ), Some( CINTlrys_laguerre - as unsafe extern "C" fn( - i32, - f64, - f64, - *mut f64, - *mut f64, - ) -> i32, + as unsafe extern "C" fn(i32, f64, f64, *mut f64, *mut f64) -> i32, ), Some( CINTlrys_jacobi - as unsafe extern "C" fn( - i32, - f64, - f64, - *mut f64, - *mut f64, - ) -> i32, + as unsafe extern "C" fn(i32, f64, f64, *mut f64, *mut f64) -> i32, ), ); } @@ -3790,33 +3533,15 @@ pub unsafe extern "C" fn CINTsr_rys_roots( 60 as f64, Some( CINTlrys_jacobi - as unsafe extern "C" fn( - i32, - f64, - f64, - *mut f64, - *mut f64, - ) -> i32, + as unsafe extern "C" fn(i32, f64, f64, *mut f64, *mut f64) -> i32, ), Some( CINTlrys_laguerre - as unsafe extern "C" fn( - i32, - f64, - f64, - *mut f64, - *mut f64, - ) -> i32, + as unsafe extern "C" fn(i32, f64, f64, *mut f64, *mut f64) -> i32, ), Some( CINTlrys_jacobi - as unsafe extern "C" fn( - i32, - f64, - f64, - *mut f64, - *mut f64, - ) -> i32, + as unsafe extern "C" fn(i32, f64, f64, *mut f64, *mut f64) -> i32, ), ); } @@ -3832,33 +3557,15 @@ pub unsafe extern "C" fn CINTsr_rys_roots( 60 as f64, Some( CINTlrys_jacobi - as unsafe extern "C" fn( - i32, - f64, - f64, - *mut f64, - *mut f64, - ) -> i32, + as unsafe extern "C" fn(i32, f64, f64, *mut f64, *mut f64) -> i32, ), Some( CINTlrys_laguerre - as unsafe extern "C" fn( - i32, - f64, - f64, - *mut f64, - *mut f64, - ) -> i32, + as unsafe extern "C" fn(i32, f64, f64, *mut f64, *mut f64) -> i32, ), Some( CINTlrys_jacobi - as unsafe extern "C" fn( - i32, - f64, - f64, - *mut f64, - *mut f64, - ) -> i32, + as unsafe extern "C" fn(i32, f64, f64, *mut f64, *mut f64) -> i32, ), ); } @@ -3874,33 +3581,15 @@ pub unsafe extern "C" fn CINTsr_rys_roots( 60 as f64, Some( CINTlrys_jacobi - as unsafe extern "C" fn( - i32, - f64, - f64, - *mut f64, - *mut f64, - ) -> i32, + as unsafe extern "C" fn(i32, f64, f64, *mut f64, *mut f64) -> i32, ), Some( CINTlrys_laguerre - as unsafe extern "C" fn( - i32, - f64, - f64, - *mut f64, - *mut f64, - ) -> i32, + as unsafe extern "C" fn(i32, f64, f64, *mut f64, *mut f64) -> i32, ), Some( CINTlrys_jacobi - as unsafe extern "C" fn( - i32, - f64, - f64, - *mut f64, - *mut f64, - ) -> i32, + as unsafe extern "C" fn(i32, f64, f64, *mut f64, *mut f64) -> i32, ), ); } @@ -3916,33 +3605,15 @@ pub unsafe extern "C" fn CINTsr_rys_roots( 60 as f64, Some( CINTlrys_jacobi - as unsafe extern "C" fn( - i32, - f64, - f64, - *mut f64, - *mut f64, - ) -> i32, + as unsafe extern "C" fn(i32, f64, f64, *mut f64, *mut f64) -> i32, ), Some( CINTlrys_laguerre - as unsafe extern "C" fn( - i32, - f64, - f64, - *mut f64, - *mut f64, - ) -> i32, + as unsafe extern "C" fn(i32, f64, f64, *mut f64, *mut f64) -> i32, ), Some( CINTlrys_jacobi - as unsafe extern "C" fn( - i32, - f64, - f64, - *mut f64, - *mut f64, - ) -> i32, + as unsafe extern "C" fn(i32, f64, f64, *mut f64, *mut f64) -> i32, ), ); } @@ -3952,15 +3623,14 @@ pub unsafe extern "C" fn CINTsr_rys_roots( } } if err != 0 { - eprintln!("sr_rys_roots fails: nroots={} x={:.15} lower={:.15}", nroots, x, lower); + eprintln!( + "sr_rys_roots fails: nroots={} x={:.15} lower={:.15}", + nroots, x, lower + ); std::process::exit(err); } } -unsafe extern "C" fn rys_root1( - mut X: f64, - mut roots: *mut f64, - mut weights: *mut f64, -) -> i32 { +unsafe extern "C" fn rys_root1(mut X: f64, mut roots: *mut f64, mut weights: *mut f64) -> i32 { let mut Y: f64 = 0.; let mut F1: f64 = 0.; if X > 33.0f64 { @@ -3975,55 +3645,108 @@ unsafe extern "C" fn rys_root1( let mut E: f64 = exp(-X); if X > 15.0f64 { Y = 1.0f64 / X; - F1 = (((1.9623264149430E-01f64 * Y - 4.9695241464490E-01f64) * Y - - 6.0156581186481E-05f64) * E + sqrt(0.78539816339744827900f64 / X) - E) * Y; + F1 = (((1.9623264149430E-01f64 * Y - 4.9695241464490E-01f64) * Y - 6.0156581186481E-05f64) + * E + + sqrt(0.78539816339744827900f64 / X) + - E) + * Y; F1 *= 0.5f64; } else if X > 10.0f64 { Y = 1.0f64 / X; F1 = ((((-1.8784686463512E-01f64 * Y + 2.2991849164985E-01f64) * Y - - 4.9893752514047E-01f64) * Y - 2.1916512131607E-05f64) * E - + sqrt(0.78539816339744827900f64 / X) - E) * Y; + - 4.9893752514047E-01f64) + * Y + - 2.1916512131607E-05f64) + * E + + sqrt(0.78539816339744827900f64 / X) + - E) + * Y; F1 *= 0.5f64; } else if X > 5.0f64 { Y = 1.0f64 / X; F1 = (((((((4.6897511375022E-01f64 * Y - 6.9955602298985E-01f64) * Y - + 5.3689283271887E-01f64) * Y - 3.2883030418398E-01f64) * Y - + 2.4645596956002E-01f64) * Y - 4.9984072848436E-01f64) * Y - - 3.1501078774085E-06f64) * E + sqrt(0.78539816339744827900f64 / X) - E) * Y; + + 5.3689283271887E-01f64) + * Y + - 3.2883030418398E-01f64) + * Y + + 2.4645596956002E-01f64) + * Y + - 4.9984072848436E-01f64) + * Y + - 3.1501078774085E-06f64) + * E + + sqrt(0.78539816339744827900f64 / X) + - E) + * Y; F1 *= 0.5f64; } else if X > 3.0f64 { Y = X - 4.0E+00f64; F1 = ((((((((((-2.62453564772299E-11f64 * Y + 3.24031041623823E-10f64) * Y - - 3.614965656163E-09f64) * Y + 3.760256799971E-08f64) * Y - - 3.553558319675E-07f64) * Y + 3.022556449731E-06f64) * Y - - 2.290098979647E-05f64) * Y + 1.526537461148E-04f64) * Y - - 8.81947375894379E-04f64) * Y + 4.33207949514611E-03f64) * Y - - 1.75257821619926E-02f64) * Y + 5.28406320615584E-02f64; + - 3.614965656163E-09f64) + * Y + + 3.760256799971E-08f64) + * Y + - 3.553558319675E-07f64) + * Y + + 3.022556449731E-06f64) + * Y + - 2.290098979647E-05f64) + * Y + + 1.526537461148E-04f64) + * Y + - 8.81947375894379E-04f64) + * Y + + 4.33207949514611E-03f64) + * Y + - 1.75257821619926E-02f64) + * Y + + 5.28406320615584E-02f64; } else if X > 1.0f64 { Y = X - 2.0E+00f64; F1 = ((((((((((-1.61702782425558E-10f64 * Y + 1.96215250865776E-09f64) * Y - - 2.14234468198419E-08f64) * Y + 2.17216556336318E-07f64) * Y - - 1.98850171329371E-06f64) * Y + 1.62429321438911E-05f64) * Y - - 1.16740298039895E-04f64) * Y + 7.24888732052332E-04f64) * Y - - 3.79490003707156E-03f64) * Y + 1.61723488664661E-02f64) * Y - - 5.29428148329736E-02f64) * Y + 1.15702180856167E-01f64; + - 2.14234468198419E-08f64) + * Y + + 2.17216556336318E-07f64) + * Y + - 1.98850171329371E-06f64) + * Y + + 1.62429321438911E-05f64) + * Y + - 1.16740298039895E-04f64) + * Y + + 7.24888732052332E-04f64) + * Y + - 3.79490003707156E-03f64) + * Y + + 1.61723488664661E-02f64) + * Y + - 5.29428148329736E-02f64) + * Y + + 1.15702180856167E-01f64; } else { F1 = ((((((((-8.36313918003957E-08f64 * X + 1.21222603512827E-06f64) * X - - 1.15662609053481E-05f64) * X + 9.25197374512647E-05f64) * X - - 6.40994113129432E-04f64) * X + 3.78787044215009E-03f64) * X - - 1.85185172458485E-02f64) * X + 7.14285713298222E-02f64) * X - - 1.99999999997023E-01f64) * X + 3.33333333333318E-01f64; + - 1.15662609053481E-05f64) + * X + + 9.25197374512647E-05f64) + * X + - 6.40994113129432E-04f64) + * X + + 3.78787044215009E-03f64) + * X + - 1.85185172458485E-02f64) + * X + + 7.14285713298222E-02f64) + * X + - 1.99999999997023E-01f64) + * X + + 3.33333333333318E-01f64; } let mut WW1: f64 = 2.0f64 * X * F1 + E; *weights.offset(0 as isize) = WW1; *roots.offset(0 as isize) = F1 / (WW1 - F1); return 0 as i32; } -unsafe extern "C" fn rys_root2( - mut X: f64, - mut roots: *mut f64, - mut weights: *mut f64, -) -> i32 { +unsafe extern "C" fn rys_root2(mut X: f64, mut roots: *mut f64, mut weights: *mut f64) -> i32 { let mut R12: f64 = 0.; let mut R22: f64 = 0.; let mut W22: f64 = 0.; @@ -4044,133 +3767,304 @@ unsafe extern "C" fn rys_root2( WW2 = 3.47854845137453E-01f64 - 2.10619711404725E-01f64 * X; } else if X < 1.0f64 { F1 = ((((((((-8.36313918003957E-08f64 * X + 1.21222603512827E-06f64) * X - - 1.15662609053481E-05f64) * X + 9.25197374512647E-05f64) * X - - 6.40994113129432E-04f64) * X + 3.78787044215009E-03f64) * X - - 1.85185172458485E-02f64) * X + 7.14285713298222E-02f64) * X - - 1.99999999997023E-01f64) * X + 3.33333333333318E-01f64; + - 1.15662609053481E-05f64) + * X + + 9.25197374512647E-05f64) + * X + - 6.40994113129432E-04f64) + * X + + 3.78787044215009E-03f64) + * X + - 1.85185172458485E-02f64) + * X + + 7.14285713298222E-02f64) + * X + - 1.99999999997023E-01f64) + * X + + 3.33333333333318E-01f64; WW1 = (X + X) * F1 + exp(-X); RT1 = (((((((-2.35234358048491E-09f64 * X + 2.49173650389842E-08f64) * X - - 4.558315364581E-08f64) * X - 2.447252174587E-06f64) * X - + 4.743292959463E-05f64) * X - 5.33184749432408E-04f64) * X - + 4.44654947116579E-03f64) * X - 2.90430236084697E-02f64) * X + - 4.558315364581E-08f64) + * X + - 2.447252174587E-06f64) + * X + + 4.743292959463E-05f64) + * X + - 5.33184749432408E-04f64) + * X + + 4.44654947116579E-03f64) + * X + - 2.90430236084697E-02f64) + * X + 1.30693606237085E-01f64; RT2 = (((((((-2.47404902329170E-08f64 * X + 2.36809910635906E-07f64) * X - + 1.835367736310E-06f64) * X - 2.066168802076E-05f64) * X - - 1.345693393936E-04f64) * X - 5.88154362858038E-05f64) * X - + 5.32735082098139E-02f64) * X - 6.37623643056745E-01f64) * X + + 1.835367736310E-06f64) + * X + - 2.066168802076E-05f64) + * X + - 1.345693393936E-04f64) + * X + - 5.88154362858038E-05f64) + * X + + 5.32735082098139E-02f64) + * X + - 6.37623643056745E-01f64) + * X + 2.86930639376289E+00f64; WW2 = ((F1 - WW1) * RT1 + F1) * (1.0E+00f64 + RT2) / (RT2 - RT1); WW1 = WW1 - WW2; } else if X < 3.0f64 { Y = X - 2.0E+00f64; F1 = ((((((((((-1.61702782425558E-10f64 * Y + 1.96215250865776E-09f64) * Y - - 2.14234468198419E-08f64) * Y + 2.17216556336318E-07f64) * Y - - 1.98850171329371E-06f64) * Y + 1.62429321438911E-05f64) * Y - - 1.16740298039895E-04f64) * Y + 7.24888732052332E-04f64) * Y - - 3.79490003707156E-03f64) * Y + 1.61723488664661E-02f64) * Y - - 5.29428148329736E-02f64) * Y + 1.15702180856167E-01f64; + - 2.14234468198419E-08f64) + * Y + + 2.17216556336318E-07f64) + * Y + - 1.98850171329371E-06f64) + * Y + + 1.62429321438911E-05f64) + * Y + - 1.16740298039895E-04f64) + * Y + + 7.24888732052332E-04f64) + * Y + - 3.79490003707156E-03f64) + * Y + + 1.61723488664661E-02f64) + * Y + - 5.29428148329736E-02f64) + * Y + + 1.15702180856167E-01f64; WW1 = (X + X) * F1 + exp(-X); RT1 = (((((((((-6.36859636616415E-12f64 * Y + 8.47417064776270E-11f64) * Y - - 5.152207846962E-10f64) * Y - 3.846389873308E-10f64) * Y - + 8.472253388380E-08f64) * Y - 1.85306035634293E-06f64) * Y - + 2.47191693238413E-05f64) * Y - 2.49018321709815E-04f64) * Y - + 2.19173220020161E-03f64) * Y - 1.63329339286794E-02f64) * Y + - 5.152207846962E-10f64) + * Y + - 3.846389873308E-10f64) + * Y + + 8.472253388380E-08f64) + * Y + - 1.85306035634293E-06f64) + * Y + + 2.47191693238413E-05f64) + * Y + - 2.49018321709815E-04f64) + * Y + + 2.19173220020161E-03f64) + * Y + - 1.63329339286794E-02f64) + * Y + 8.68085688285261E-02f64; RT2 = (((((((((1.45331350488343E-10f64 * Y + 2.07111465297976E-09f64) * Y - - 1.878920917404E-08f64) * Y - 1.725838516261E-07f64) * Y - + 2.247389642339E-06f64) * Y + 9.76783813082564E-06f64) * Y - - 1.93160765581969E-04f64) * Y - 1.58064140671893E-03f64) * Y - + 4.85928174507904E-02f64) * Y - 4.30761584997596E-01f64) * Y + - 1.878920917404E-08f64) + * Y + - 1.725838516261E-07f64) + * Y + + 2.247389642339E-06f64) + * Y + + 9.76783813082564E-06f64) + * Y + - 1.93160765581969E-04f64) + * Y + - 1.58064140671893E-03f64) + * Y + + 4.85928174507904E-02f64) + * Y + - 4.30761584997596E-01f64) + * Y + 1.80400974537950E+00f64; WW2 = ((F1 - WW1) * RT1 + F1) * (1.0E+00f64 + RT2) / (RT2 - RT1); WW1 = WW1 - WW2; } else if X < 5.0f64 { Y = X - 4.0E+00f64; F1 = ((((((((((-2.62453564772299E-11f64 * Y + 3.24031041623823E-10f64) * Y - - 3.614965656163E-09f64) * Y + 3.760256799971E-08f64) * Y - - 3.553558319675E-07f64) * Y + 3.022556449731E-06f64) * Y - - 2.290098979647E-05f64) * Y + 1.526537461148E-04f64) * Y - - 8.81947375894379E-04f64) * Y + 4.33207949514611E-03f64) * Y - - 1.75257821619926E-02f64) * Y + 5.28406320615584E-02f64; + - 3.614965656163E-09f64) + * Y + + 3.760256799971E-08f64) + * Y + - 3.553558319675E-07f64) + * Y + + 3.022556449731E-06f64) + * Y + - 2.290098979647E-05f64) + * Y + + 1.526537461148E-04f64) + * Y + - 8.81947375894379E-04f64) + * Y + + 4.33207949514611E-03f64) + * Y + - 1.75257821619926E-02f64) + * Y + + 5.28406320615584E-02f64; WW1 = (X + X) * F1 + exp(-X); RT1 = ((((((((-4.11560117487296E-12f64 * Y + 7.10910223886747E-11f64) * Y - - 1.73508862390291E-09f64) * Y + 5.93066856324744E-08f64) * Y - - 9.76085576741771E-07f64) * Y + 1.08484384385679E-05f64) * Y - - 1.12608004981982E-04f64) * Y + 1.16210907653515E-03f64) * Y - - 9.89572595720351E-03f64) * Y + 6.12589701086408E-02f64; + - 1.73508862390291E-09f64) + * Y + + 5.93066856324744E-08f64) + * Y + - 9.76085576741771E-07f64) + * Y + + 1.08484384385679E-05f64) + * Y + - 1.12608004981982E-04f64) + * Y + + 1.16210907653515E-03f64) + * Y + - 9.89572595720351E-03f64) + * Y + + 6.12589701086408E-02f64; RT2 = (((((((((-1.80555625241001E-10f64 * Y + 5.44072475994123E-10f64) * Y - + 1.603498045240E-08f64) * Y - 1.497986283037E-07f64) * Y - - 7.017002532106E-07f64) * Y + 1.85882653064034E-05f64) * Y - - 2.04685420150802E-05f64) * Y - 2.49327728643089E-03f64) * Y - + 3.56550690684281E-02f64) * Y - 2.60417417692375E-01f64) * Y + + 1.603498045240E-08f64) + * Y + - 1.497986283037E-07f64) + * Y + - 7.017002532106E-07f64) + * Y + + 1.85882653064034E-05f64) + * Y + - 2.04685420150802E-05f64) + * Y + - 2.49327728643089E-03f64) + * Y + + 3.56550690684281E-02f64) + * Y + - 2.60417417692375E-01f64) + * Y + 1.12155283108289E+00f64; WW2 = ((F1 - WW1) * RT1 + F1) * (1.0E+00f64 + RT2) / (RT2 - RT1); WW1 = WW1 - WW2; } else if X < 10 as f64 { E = exp(-X); WW1 = ((((((4.6897511375022E-01f64 / X - 6.9955602298985E-01f64) / X - + 5.3689283271887E-01f64) / X - 3.2883030418398E-01f64) / X - + 2.4645596956002E-01f64) / X - 4.9984072848436E-01f64) / X - - 3.1501078774085E-06f64) * E + sqrt(0.78539816339744827900f64 / X); + + 5.3689283271887E-01f64) + / X + - 3.2883030418398E-01f64) + / X + + 2.4645596956002E-01f64) + / X + - 4.9984072848436E-01f64) + / X + - 3.1501078774085E-06f64) + * E + + sqrt(0.78539816339744827900f64 / X); F1 = (WW1 - E) / (X + X); Y = X - 7.5E+00f64; RT1 = (((((((((((((-1.43632730148572E-16f64 * Y + 2.38198922570405E-16f64) * Y - + 1.358319618800E-14f64) * Y - 7.064522786879E-14f64) * Y - - 7.719300212748E-13f64) * Y + 7.802544789997E-12f64) * Y - + 6.628721099436E-11f64) * Y - 1.775564159743E-09f64) * Y - + 1.713828823990E-08f64) * Y - 1.497500187053E-07f64) * Y - + 2.283485114279E-06f64) * Y - 3.76953869614706E-05f64) * Y - + 4.74791204651451E-04f64) * Y - 4.60448960876139E-03f64) * Y + + 1.358319618800E-14f64) + * Y + - 7.064522786879E-14f64) + * Y + - 7.719300212748E-13f64) + * Y + + 7.802544789997E-12f64) + * Y + + 6.628721099436E-11f64) + * Y + - 1.775564159743E-09f64) + * Y + + 1.713828823990E-08f64) + * Y + - 1.497500187053E-07f64) + * Y + + 2.283485114279E-06f64) + * Y + - 3.76953869614706E-05f64) + * Y + + 4.74791204651451E-04f64) + * Y + - 4.60448960876139E-03f64) + * Y + 3.72458587837249E-02f64; RT2 = ((((((((((((2.48791622798900E-14f64 * Y - 1.36113510175724E-13f64) * Y - - 2.224334349799E-12f64) * Y + 4.190559455515E-11f64) * Y - - 2.222722579924E-10f64) * Y - 2.624183464275E-09f64) * Y - + 6.128153450169E-08f64) * Y - 4.383376014528E-07f64) * Y - - 2.49952200232910E-06f64) * Y + 1.03236647888320E-04f64) * Y - - 1.44614664924989E-03f64) * Y + 1.35094294917224E-02f64) * Y - - 9.53478510453887E-02f64) * Y + 5.44765245686790E-01f64; + - 2.224334349799E-12f64) + * Y + + 4.190559455515E-11f64) + * Y + - 2.222722579924E-10f64) + * Y + - 2.624183464275E-09f64) + * Y + + 6.128153450169E-08f64) + * Y + - 4.383376014528E-07f64) + * Y + - 2.49952200232910E-06f64) + * Y + + 1.03236647888320E-04f64) + * Y + - 1.44614664924989E-03f64) + * Y + + 1.35094294917224E-02f64) + * Y + - 9.53478510453887E-02f64) + * Y + + 5.44765245686790E-01f64; WW2 = ((F1 - WW1) * RT1 + F1) * (1.0E+00f64 + RT2) / (RT2 - RT1); WW1 = WW1 - WW2; } else if X < 15 as f64 { E = exp(-X); WW1 = (((-1.8784686463512E-01f64 / X + 2.2991849164985E-01f64) / X - - 4.9893752514047E-01f64) / X - 2.1916512131607E-05f64) * E + - 4.9893752514047E-01f64) + / X + - 2.1916512131607E-05f64) + * E + sqrt(0.78539816339744827900f64 / X); F1 = (WW1 - E) / (X + X); RT1 = ((((-1.01041157064226E-05f64 * X + 1.19483054115173E-03f64) * X - - 6.73760231824074E-02f64) * X + 1.25705571069895E+00f64) * X + - 6.73760231824074E-02f64) + * X + + 1.25705571069895E+00f64) + * X + (((-8.57609422987199E+03f64 / X + 5.91005939591842E+03f64) / X - - 1.70807677109425E+03f64) / X + 2.64536689959503E+02f64) / X - - 2.38570496490846E+01f64) * E + R12 / (X - R12); + - 1.70807677109425E+03f64) + / X + + 2.64536689959503E+02f64) + / X + - 2.38570496490846E+01f64) + * E + + R12 / (X - R12); RT2 = (((3.39024225137123E-04f64 * X - 9.34976436343509E-02f64) * X - - 4.22216483306320E+00f64) * X + - 4.22216483306320E+00f64) + * X + (((-2.08457050986847E+03f64 / X - 1.04999071905664E+03f64) / X - + 3.39891508992661E+02f64) / X - 1.56184800325063E+02f64) / X - + 8.00839033297501E+00f64) * E + R22 / (X - R22); + + 3.39891508992661E+02f64) + / X + - 1.56184800325063E+02f64) + / X + + 8.00839033297501E+00f64) + * E + + R22 / (X - R22); WW2 = ((F1 - WW1) * RT1 + F1) * (1.0E+00f64 + RT2) / (RT2 - RT1); WW1 = WW1 - WW2; } else if X < 33 as f64 { E = exp(-X); - WW1 = ((1.9623264149430E-01f64 / X - 4.9695241464490E-01f64) / X - - 6.0156581186481E-05f64) * E + sqrt(0.78539816339744827900f64 / X); + WW1 = ((1.9623264149430E-01f64 / X - 4.9695241464490E-01f64) / X - 6.0156581186481E-05f64) + * E + + sqrt(0.78539816339744827900f64 / X); F1 = (WW1 - E) / (X + X); RT1 = ((((-1.14906395546354E-06f64 * X + 1.76003409708332E-04f64) * X - - 1.71984023644904E-02f64) * X - 1.37292644149838E-01f64) * X + - 1.71984023644904E-02f64) + * X + - 1.37292644149838E-01f64) + * X + (-4.75742064274859E+01f64 / X + 9.21005186542857E+00f64) / X - - 2.31080873898939E-02f64) * E + R12 / (X - R12); + - 2.31080873898939E-02f64) + * E + + R12 / (X - R12); RT2 = (((3.64921633404158E-04f64 * X - 9.71850973831558E-02f64) * X - - 4.02886174850252E+00f64) * X + - 4.02886174850252E+00f64) + * X + (-1.35831002139173E+02f64 / X - 8.66891724287962E+01f64) / X - + 2.98011277766958E+00f64) * E + R22 / (X - R22); + + 2.98011277766958E+00f64) + * E + + R22 / (X - R22); WW2 = ((F1 - WW1) * RT1 + F1) * (1.0E+00f64 + RT2) / (RT2 - RT1); WW1 = WW1 - WW2; } else if X < 40 as f64 { WW1 = sqrt(0.78539816339744827900f64 / X); E = exp(-X); - RT1 = (-8.78947307498880E-01f64 * X + 1.09243702330261E+01f64) * E - + R12 / (X - R12); - RT2 = (-9.28903924275977E+00f64 * X + 8.10642367843811E+01f64) * E - + R22 / (X - R22); + RT1 = (-8.78947307498880E-01f64 * X + 1.09243702330261E+01f64) * E + R12 / (X - R12); + RT2 = (-9.28903924275977E+00f64 * X + 8.10642367843811E+01f64) * E + R22 / (X - R22); WW2 = (4.46857389308400E+00f64 * X - 7.79250653461045E+01f64) * E + W22 * WW1; WW1 = WW1 - WW2; } else { @@ -4186,11 +4080,7 @@ unsafe extern "C" fn rys_root2( *weights.offset(1 as isize) = WW2; return 0 as i32; } -unsafe extern "C" fn rys_root3( - mut X: f64, - mut roots: *mut f64, - mut weights: *mut f64, -) -> i32 { +unsafe extern "C" fn rys_root3(mut X: f64, mut roots: *mut f64, mut weights: *mut f64) -> i32 { let mut R13: f64 = 0.; let mut R23: f64 = 0.; let mut W23: f64 = 0.; @@ -4225,22 +4115,57 @@ unsafe extern "C" fn rys_root3( WW3 = 1.71324492379169E-01f64 - 1.27768455150979E-01f64 * X; } else if X < 1.0f64 { RT1 = ((((((-5.10186691538870E-10f64 * X + 2.40134415703450E-08f64) * X - - 5.01081057744427E-07f64) * X + 7.58291285499256E-06f64) * X - - 9.55085533670919E-05f64) * X + 1.02893039315878E-03f64) * X - - 9.28875764374337E-03f64) * X + 6.03769246832810E-02f64; + - 5.01081057744427E-07f64) + * X + + 7.58291285499256E-06f64) + * X + - 9.55085533670919E-05f64) + * X + + 1.02893039315878E-03f64) + * X + - 9.28875764374337E-03f64) + * X + + 6.03769246832810E-02f64; RT2 = ((((((-1.29646524960555E-08f64 * X + 7.74602292865683E-08f64) * X - + 1.56022811158727E-06f64) * X - 1.58051990661661E-05f64) * X - - 3.30447806384059E-04f64) * X + 9.74266885190267E-03f64) * X - - 1.19511285526388E-01f64) * X + 7.76823355931033E-01f64; + + 1.56022811158727E-06f64) + * X + - 1.58051990661661E-05f64) + * X + - 3.30447806384059E-04f64) + * X + + 9.74266885190267E-03f64) + * X + - 1.19511285526388E-01f64) + * X + + 7.76823355931033E-01f64; RT3 = ((((((-9.28536484109606E-09f64 * X - 3.02786290067014E-07f64) * X - - 2.50734477064200E-06f64) * X - 7.32728109752881E-06f64) * X - + 2.44217481700129E-04f64) * X + 4.94758452357327E-02f64) * X - - 1.02504611065774E+00f64) * X + 6.66279971938553E+00f64; + - 2.50734477064200E-06f64) + * X + - 7.32728109752881E-06f64) + * X + + 2.44217481700129E-04f64) + * X + + 4.94758452357327E-02f64) + * X + - 1.02504611065774E+00f64) + * X + + 6.66279971938553E+00f64; F2 = ((((((((-7.60911486098850E-08f64 * X + 1.09552870123182E-06f64) * X - - 1.03463270693454E-05f64) * X + 8.16324851790106E-05f64) * X - - 5.55526624875562E-04f64) * X + 3.20512054753924E-03f64) * X - - 1.51515139838540E-02f64) * X + 5.55555554649585E-02f64) * X - - 1.42857142854412E-01f64) * X + 1.99999999999986E-01f64; + - 1.03463270693454E-05f64) + * X + + 8.16324851790106E-05f64) + * X + - 5.55526624875562E-04f64) + * X + + 3.20512054753924E-03f64) + * X + - 1.51515139838540E-02f64) + * X + + 5.55555554649585E-02f64) + * X + - 1.42857142854412E-01f64) + * X + + 1.99999999999986E-01f64; E = exp(-X); F1 = ((X + X) * F2 + E) / 3.0E+00f64; WW1 = (X + X) * F1 + E; @@ -4255,26 +4180,71 @@ unsafe extern "C" fn rys_root3( } else if X < 3.0f64 { Y = X - 2.0E+00f64; RT1 = ((((((((1.44687969563318E-12f64 * Y + 4.85300143926755E-12f64) * Y - - 6.55098264095516E-10f64) * Y + 1.56592951656828E-08f64) * Y - - 2.60122498274734E-07f64) * Y + 3.86118485517386E-06f64) * Y - - 5.13430986707889E-05f64) * Y + 6.03194524398109E-04f64) * Y - - 6.11219349825090E-03f64) * Y + 4.52578254679079E-02f64; + - 6.55098264095516E-10f64) + * Y + + 1.56592951656828E-08f64) + * Y + - 2.60122498274734E-07f64) + * Y + + 3.86118485517386E-06f64) + * Y + - 5.13430986707889E-05f64) + * Y + + 6.03194524398109E-04f64) + * Y + - 6.11219349825090E-03f64) + * Y + + 4.52578254679079E-02f64; RT2 = (((((((6.95964248788138E-10f64 * Y - 5.35281831445517E-09f64) * Y - - 6.745205954533E-08f64) * Y + 1.502366784525E-06f64) * Y - + 9.923326947376E-07f64) * Y - 3.89147469249594E-04f64) * Y - + 7.51549330892401E-03f64) * Y - 8.48778120363400E-02f64) * Y + - 6.745205954533E-08f64) + * Y + + 1.502366784525E-06f64) + * Y + + 9.923326947376E-07f64) + * Y + - 3.89147469249594E-04f64) + * Y + + 7.51549330892401E-03f64) + * Y + - 8.48778120363400E-02f64) + * Y + 5.73928229597613E-01f64; RT3 = ((((((((-2.81496588401439E-10f64 * Y + 3.61058041895031E-09f64) * Y - + 4.53631789436255E-08f64) * Y - 1.40971837780847E-07f64) * Y - - 6.05865557561067E-06f64) * Y - 5.15964042227127E-05f64) * Y - + 3.34761560498171E-05f64) * Y + 5.04871005319119E-02f64) * Y - - 8.24708946991557E-01f64) * Y + 4.81234667357205E+00f64; + + 4.53631789436255E-08f64) + * Y + - 1.40971837780847E-07f64) + * Y + - 6.05865557561067E-06f64) + * Y + - 5.15964042227127E-05f64) + * Y + + 3.34761560498171E-05f64) + * Y + + 5.04871005319119E-02f64) + * Y + - 8.24708946991557E-01f64) + * Y + + 4.81234667357205E+00f64; F2 = ((((((((((-1.48044231072140E-10f64 * Y + 1.78157031325097E-09f64) * Y - - 1.92514145088973E-08f64) * Y + 1.92804632038796E-07f64) * Y - - 1.73806555021045E-06f64) * Y + 1.39195169625425E-05f64) * Y - - 9.74574633246452E-05f64) * Y + 5.83701488646511E-04f64) * Y - - 2.89955494844975E-03f64) * Y + 1.13847001113810E-02f64) * Y - - 3.23446977320647E-02f64) * Y + 5.29428148329709E-02f64; + - 1.92514145088973E-08f64) + * Y + + 1.92804632038796E-07f64) + * Y + - 1.73806555021045E-06f64) + * Y + + 1.39195169625425E-05f64) + * Y + - 9.74574633246452E-05f64) + * Y + + 5.83701488646511E-04f64) + * Y + - 2.89955494844975E-03f64) + * Y + + 1.13847001113810E-02f64) + * Y + - 3.23446977320647E-02f64) + * Y + + 5.29428148329709E-02f64; E = exp(-X); F1 = ((X + X) * F2 + E) / 3.0E+00f64; WW1 = (X + X) * F1 + E; @@ -4289,26 +4259,71 @@ unsafe extern "C" fn rys_root3( } else if X < 5.0f64 { Y = X - 4.0E+00f64; RT1 = (((((((1.44265709189601E-11f64 * Y - 4.66622033006074E-10f64) * Y - + 7.649155832025E-09f64) * Y - 1.229940017368E-07f64) * Y - + 2.026002142457E-06f64) * Y - 2.87048671521677E-05f64) * Y - + 3.70326938096287E-04f64) * Y - 4.21006346373634E-03f64) * Y + + 7.649155832025E-09f64) + * Y + - 1.229940017368E-07f64) + * Y + + 2.026002142457E-06f64) + * Y + - 2.87048671521677E-05f64) + * Y + + 3.70326938096287E-04f64) + * Y + - 4.21006346373634E-03f64) + * Y + 3.50898470729044E-02f64; RT2 = ((((((((-2.65526039155651E-11f64 * Y + 1.97549041402552E-10f64) * Y - + 2.15971131403034E-09f64) * Y - 7.95045680685193E-08f64) * Y - + 5.15021914287057E-07f64) * Y + 1.11788717230514E-05f64) * Y - - 3.33739312603632E-04f64) * Y + 5.30601428208358E-03f64) * Y - - 5.93483267268959E-02f64) * Y + 4.31180523260239E-01f64; + + 2.15971131403034E-09f64) + * Y + - 7.95045680685193E-08f64) + * Y + + 5.15021914287057E-07f64) + * Y + + 1.11788717230514E-05f64) + * Y + - 3.33739312603632E-04f64) + * Y + + 5.30601428208358E-03f64) + * Y + - 5.93483267268959E-02f64) + * Y + + 4.31180523260239E-01f64; RT3 = ((((((((-3.92833750584041E-10f64 * Y - 4.16423229782280E-09f64) * Y - + 4.42413039572867E-08f64) * Y + 6.40574545989551E-07f64) * Y - - 3.05512456576552E-06f64) * Y - 1.05296443527943E-04f64) * Y - - 6.14120969315617E-04f64) * Y + 4.89665802767005E-02f64) * Y - - 6.24498381002855E-01f64) * Y + 3.36412312243724E+00f64; + + 4.42413039572867E-08f64) + * Y + + 6.40574545989551E-07f64) + * Y + - 3.05512456576552E-06f64) + * Y + - 1.05296443527943E-04f64) + * Y + - 6.14120969315617E-04f64) + * Y + + 4.89665802767005E-02f64) + * Y + - 6.24498381002855E-01f64) + * Y + + 3.36412312243724E+00f64; F2 = ((((((((((-2.36788772599074E-11f64 * Y + 2.89147476459092E-10f64) * Y - - 3.18111322308846E-09f64) * Y + 3.25336816562485E-08f64) * Y - - 3.00873821471489E-07f64) * Y + 2.48749160874431E-06f64) * Y - - 1.81353179793672E-05f64) * Y + 1.14504948737066E-04f64) * Y - - 6.10614987696677E-04f64) * Y + 2.64584212770942E-03f64) * Y - - 8.66415899015349E-03f64) * Y + 1.75257821619922E-02f64; + - 3.18111322308846E-09f64) + * Y + + 3.25336816562485E-08f64) + * Y + - 3.00873821471489E-07f64) + * Y + + 2.48749160874431E-06f64) + * Y + - 1.81353179793672E-05f64) + * Y + + 1.14504948737066E-04f64) + * Y + - 6.10614987696677E-04f64) + * Y + + 2.64584212770942E-03f64) + * Y + - 8.66415899015349E-03f64) + * Y + + 1.75257821619922E-02f64; E = exp(-X); F1 = ((X + X) * F2 + E) / 3.0E+00f64; WW1 = (X + X) * F1 + E; @@ -4323,33 +4338,88 @@ unsafe extern "C" fn rys_root3( } else if X < 10 as f64 { E = exp(-X); WW1 = ((((((4.6897511375022E-01f64 / X - 6.9955602298985E-01f64) / X - + 5.3689283271887E-01f64) / X - 3.2883030418398E-01f64) / X - + 2.4645596956002E-01f64) / X - 4.9984072848436E-01f64) / X - - 3.1501078774085E-06f64) * E + sqrt(0.78539816339744827900f64 / X); + + 5.3689283271887E-01f64) + / X + - 3.2883030418398E-01f64) + / X + + 2.4645596956002E-01f64) + / X + - 4.9984072848436E-01f64) + / X + - 3.1501078774085E-06f64) + * E + + sqrt(0.78539816339744827900f64 / X); F1 = (WW1 - E) / (X + X); F2 = (F1 + F1 + F1 - E) / (X + X); Y = X - 7.5E+00f64; RT1 = (((((((((((5.74429401360115E-16f64 * Y + 7.11884203790984E-16f64) * Y - - 6.736701449826E-14f64) * Y - 6.264613873998E-13f64) * Y - + 1.315418927040E-11f64) * Y - 4.23879635610964E-11f64) * Y - + 1.39032379769474E-09f64) * Y - 4.65449552856856E-08f64) * Y - + 7.34609900170759E-07f64) * Y - 1.08656008854077E-05f64) * Y - + 1.77930381549953E-04f64) * Y - 2.39864911618015E-03f64) * Y + - 6.736701449826E-14f64) + * Y + - 6.264613873998E-13f64) + * Y + + 1.315418927040E-11f64) + * Y + - 4.23879635610964E-11f64) + * Y + + 1.39032379769474E-09f64) + * Y + - 4.65449552856856E-08f64) + * Y + + 7.34609900170759E-07f64) + * Y + - 1.08656008854077E-05f64) + * Y + + 1.77930381549953E-04f64) + * Y + - 2.39864911618015E-03f64) + * Y + 2.39112249488821E-02f64; RT2 = (((((((((((1.13464096209120E-14f64 * Y + 6.99375313934242E-15f64) * Y - - 8.595618132088E-13f64) * Y - 5.293620408757E-12f64) * Y - - 2.492175211635E-11f64) * Y + 2.73681574882729E-09f64) * Y - - 1.06656985608482E-08f64) * Y - 4.40252529648056E-07f64) * Y - + 9.68100917793911E-06f64) * Y - 1.68211091755327E-04f64) * Y - + 2.69443611274173E-03f64) * Y - 3.23845035189063E-02f64) * Y + - 8.595618132088E-13f64) + * Y + - 5.293620408757E-12f64) + * Y + - 2.492175211635E-11f64) + * Y + + 2.73681574882729E-09f64) + * Y + - 1.06656985608482E-08f64) + * Y + - 4.40252529648056E-07f64) + * Y + + 9.68100917793911E-06f64) + * Y + - 1.68211091755327E-04f64) + * Y + + 2.69443611274173E-03f64) + * Y + - 3.23845035189063E-02f64) + * Y + 2.75969447451882E-01f64; RT3 = ((((((((((((6.66339416996191E-15f64 * Y + 1.84955640200794E-13f64) * Y - - 1.985141104444E-12f64) * Y - 2.309293727603E-11f64) * Y - + 3.917984522103E-10f64) * Y + 1.663165279876E-09f64) * Y - - 6.205591993923E-08f64) * Y + 8.769581622041E-09f64) * Y - + 8.97224398620038E-06f64) * Y - 3.14232666170796E-05f64) * Y - - 1.83917335649633E-03f64) * Y + 3.51246831672571E-02f64) * Y - - 3.22335051270860E-01f64) * Y + 1.73582831755430E+00f64; + - 1.985141104444E-12f64) + * Y + - 2.309293727603E-11f64) + * Y + + 3.917984522103E-10f64) + * Y + + 1.663165279876E-09f64) + * Y + - 6.205591993923E-08f64) + * Y + + 8.769581622041E-09f64) + * Y + + 8.97224398620038E-06f64) + * Y + - 3.14232666170796E-05f64) + * Y + - 1.83917335649633E-03f64) + * Y + + 3.51246831672571E-02f64) + * Y + - 3.22335051270860E-01f64) + * Y + + 1.73582831755430E+00f64; T1 = RT1 / (RT1 + 1.0E+00f64); T2 = RT2 / (RT2 + 1.0E+00f64); T3 = RT3 / (RT3 + 1.0E+00f64); @@ -4361,32 +4431,82 @@ unsafe extern "C" fn rys_root3( } else if X < 15 as f64 { E = exp(-X); WW1 = (((-1.8784686463512E-01f64 / X + 2.2991849164985E-01f64) / X - - 4.9893752514047E-01f64) / X - 2.1916512131607E-05f64) * E + - 4.9893752514047E-01f64) + / X + - 2.1916512131607E-05f64) + * E + sqrt(0.78539816339744827900f64 / X); F1 = (WW1 - E) / (X + X); F2 = (F1 + F1 + F1 - E) / (X + X); Y = X - 12.5E+00f64; RT1 = (((((((((((4.42133001283090E-16f64 * Y - 2.77189767070441E-15f64) * Y - - 4.084026087887E-14f64) * Y + 5.379885121517E-13f64) * Y - + 1.882093066702E-12f64) * Y - 8.67286219861085E-11f64) * Y - + 7.11372337079797E-10f64) * Y - 3.55578027040563E-09f64) * Y - + 1.29454702851936E-07f64) * Y - 4.14222202791434E-06f64) * Y - + 8.04427643593792E-05f64) * Y - 1.18587782909876E-03f64) * Y + - 4.084026087887E-14f64) + * Y + + 5.379885121517E-13f64) + * Y + + 1.882093066702E-12f64) + * Y + - 8.67286219861085E-11f64) + * Y + + 7.11372337079797E-10f64) + * Y + - 3.55578027040563E-09f64) + * Y + + 1.29454702851936E-07f64) + * Y + - 4.14222202791434E-06f64) + * Y + + 8.04427643593792E-05f64) + * Y + - 1.18587782909876E-03f64) + * Y + 1.53435577063174E-02f64; RT2 = (((((((((((6.85146742119357E-15f64 * Y - 1.08257654410279E-14f64) * Y - - 8.579165965128E-13f64) * Y + 6.642452485783E-12f64) * Y - + 4.798806828724E-11f64) * Y - 1.13413908163831E-09f64) * Y - + 7.08558457182751E-09f64) * Y - 5.59678576054633E-08f64) * Y - + 2.51020389884249E-06f64) * Y - 6.63678914608681E-05f64) * Y - + 1.11888323089714E-03f64) * Y - 1.45361636398178E-02f64) * Y + - 8.579165965128E-13f64) + * Y + + 6.642452485783E-12f64) + * Y + + 4.798806828724E-11f64) + * Y + - 1.13413908163831E-09f64) + * Y + + 7.08558457182751E-09f64) + * Y + - 5.59678576054633E-08f64) + * Y + + 2.51020389884249E-06f64) + * Y + - 6.63678914608681E-05f64) + * Y + + 1.11888323089714E-03f64) + * Y + - 1.45361636398178E-02f64) + * Y + 1.65077877454402E-01f64; RT3 = ((((((((((((3.20622388697743E-15f64 * Y - 2.73458804864628E-14f64) * Y - - 3.157134329361E-13f64) * Y + 8.654129268056E-12f64) * Y - - 5.625235879301E-11f64) * Y - 7.718080513708E-10f64) * Y - + 2.064664199164E-08f64) * Y - 1.567725007761E-07f64) * Y - - 1.57938204115055E-06f64) * Y + 6.27436306915967E-05f64) * Y - - 1.01308723606946E-03f64) * Y + 1.13901881430697E-02f64) * Y - - 1.01449652899450E-01f64) * Y + 7.77203937334739E-01f64; + - 3.157134329361E-13f64) + * Y + + 8.654129268056E-12f64) + * Y + - 5.625235879301E-11f64) + * Y + - 7.718080513708E-10f64) + * Y + + 2.064664199164E-08f64) + * Y + - 1.567725007761E-07f64) + * Y + - 1.57938204115055E-06f64) + * Y + + 6.27436306915967E-05f64) + * Y + - 1.01308723606946E-03f64) + * Y + + 1.13901881430697E-02f64) + * Y + - 1.01449652899450E-01f64) + * Y + + 7.77203937334739E-01f64; T1 = RT1 / (RT1 + 1.0E+00f64); T2 = RT2 / (RT2 + 1.0E+00f64); T3 = RT3 / (RT3 + 1.0E+00f64); @@ -4397,39 +4517,76 @@ unsafe extern "C" fn rys_root3( WW1 = WW1 - WW2 - WW3; } else if X < 33 as f64 { E = exp(-X); - WW1 = ((1.9623264149430E-01f64 / X - 4.9695241464490E-01f64) / X - - 6.0156581186481E-05f64) * E + sqrt(0.78539816339744827900f64 / X); + WW1 = ((1.9623264149430E-01f64 / X - 4.9695241464490E-01f64) / X - 6.0156581186481E-05f64) + * E + + sqrt(0.78539816339744827900f64 / X); F1 = (WW1 - E) / (X + X); F2 = (F1 + F1 + F1 - E) / (X + X); if X < 20 as f64 { RT1 = ((((((-2.43270989903742E-06f64 * X + 3.57901398988359E-04f64) * X - - 2.34112415981143E-02f64) * X + 7.81425144913975E-01f64) * X - - 1.73209218219175E+01f64) * X + 2.43517435690398E+02f64) * X + - 2.34112415981143E-02f64) + * X + + 7.81425144913975E-01f64) + * X + - 1.73209218219175E+01f64) + * X + + 2.43517435690398E+02f64) + * X + (-1.97611541576986E+04f64 / X + 9.82441363463929E+03f64) / X - - 2.07970687843258E+03f64) * E + R13 / (X - R13); + - 2.07970687843258E+03f64) + * E + + R13 / (X - R13); RT2 = (((((-2.62627010965435E-04f64 * X + 3.49187925428138E-02f64) * X - - 3.09337618731880E+00f64) * X + 1.07037141010778E+02f64) * X - - 2.36659637247087E+03f64) * X + - 3.09337618731880E+00f64) + * X + + 1.07037141010778E+02f64) + * X + - 2.36659637247087E+03f64) + * X + ((-2.91669113681020E+06f64 / X + 1.41129505262758E+06f64) / X - - 2.91532335433779E+05f64) / X + 3.35202872835409E+04f64) * E + - 2.91532335433779E+05f64) + / X + + 3.35202872835409E+04f64) + * E + R23 / (X - R23); RT3 = (((((9.31856404738601E-05f64 * X - 2.87029400759565E-02f64) * X - - 7.83503697918455E-01f64) * X - 1.84338896480695E+01f64) * X - + 4.04996712650414E+02f64) * X + - 7.83503697918455E-01f64) + * X + - 1.84338896480695E+01f64) + * X + + 4.04996712650414E+02f64) + * X + (-1.89829509315154E+05f64 / X + 5.11498390849158E+04f64) / X - - 6.88145821789955E+03f64) * E + R33 / (X - R33); + - 6.88145821789955E+03f64) + * E + + R33 / (X - R33); } else { RT1 = ((((-4.97561537069643E-04f64 * X - 5.00929599665316E-02f64) * X - + 1.31099142238996E+00f64) * X - 1.88336409225481E+01f64) * X - - 6.60344754467191E+02f64 / X + 1.64931462413877E+02f64) * E + + 1.31099142238996E+00f64) + * X + - 1.88336409225481E+01f64) + * X + - 6.60344754467191E+02f64 / X + + 1.64931462413877E+02f64) + * E + R13 / (X - R13); RT2 = ((((-4.48218898474906E-03f64 * X - 5.17373211334924E-01f64) * X - + 1.13691058739678E+01f64) * X - 1.65426392885291E+02f64) * X - - 6.30909125686731E+03f64 / X + 1.52231757709236E+03f64) * E + + 1.13691058739678E+01f64) + * X + - 1.65426392885291E+02f64) + * X + - 6.30909125686731E+03f64 / X + + 1.52231757709236E+03f64) + * E + R23 / (X - R23); RT3 = ((((-1.38368602394293E-02f64 * X - 1.77293428863008E+00f64) * X - + 1.73639054044562E+01f64) * X - 3.57615122086961E+02f64) * X - - 1.45734701095912E+04f64 / X + 2.69831813951849E+03f64) * E + + 1.73639054044562E+01f64) + * X + - 3.57615122086961E+02f64) + * X + - 1.45734701095912E+04f64 / X + + 2.69831813951849E+03f64) + * E + R33 / (X - R33); } T1 = RT1 / (RT1 + 1.0E+00f64); @@ -4444,15 +4601,27 @@ unsafe extern "C" fn rys_root3( WW1 = sqrt(0.78539816339744827900f64 / X); E = exp(-X); RT1 = ((-7.39058467995275E+00f64 * X + 3.21318352526305E+02f64) * X - - 3.99433696473658E+03f64) * E + R13 / (X - R13); + - 3.99433696473658E+03f64) + * E + + R13 / (X - R13); RT2 = ((-7.38726243906513E+01f64 * X + 3.13569966333873E+03f64) * X - - 3.86862867311321E+04f64) * E + R23 / (X - R23); + - 3.86862867311321E+04f64) + * E + + R23 / (X - R23); RT3 = ((-2.63750565461336E+02f64 * X + 1.04412168692352E+04f64) * X - - 1.28094577915394E+05f64) * E + R33 / (X - R33); + - 1.28094577915394E+05f64) + * E + + R33 / (X - R33); WW3 = (((1.52258947224714E-01f64 * X - 8.30661900042651E+00f64) * X - + 1.92977367967984E+02f64) * X - 1.67787926005344E+03f64) * E + W33 * WW1; + + 1.92977367967984E+02f64) + * X + - 1.67787926005344E+03f64) + * E + + W33 * WW1; WW2 = ((6.15072615497811E+01f64 * X - 2.91980647450269E+03f64) * X - + 3.80794303087338E+04f64) * E + W23 * WW1; + + 3.80794303087338E+04f64) + * E + + W23 * WW1; WW1 = WW1 - WW2 - WW3; } else { WW1 = sqrt(0.78539816339744827900f64 / X); @@ -4471,11 +4640,7 @@ unsafe extern "C" fn rys_root3( *weights.offset(2 as isize) = WW3; return 0 as i32; } -unsafe extern "C" fn rys_root4( - mut X: f64, - mut roots: *mut f64, - mut weights: *mut f64, -) -> i32 { +unsafe extern "C" fn rys_root4(mut X: f64, mut roots: *mut f64, mut weights: *mut f64) -> i32 { let mut R14: f64 = 0.; let mut R24: f64 = 0.; let mut W24: f64 = 0.; @@ -4511,326 +4676,945 @@ unsafe extern "C" fn rys_root4( WW4 = 1.01228536290376E-01f64 - 8.28299075414321E-02f64 * X; } else if X <= 1.0f64 { RT1 = ((((((-1.95309614628539E-10f64 * X + 5.19765728707592E-09f64) * X - - 1.01756452250573E-07f64) * X + 1.72365935872131E-06f64) * X - - 2.61203523522184E-05f64) * X + 3.52921308769880E-04f64) * X - - 4.09645850658433E-03f64) * X + 3.48198973061469E-02f64; + - 1.01756452250573E-07f64) + * X + + 1.72365935872131E-06f64) + * X + - 2.61203523522184E-05f64) + * X + + 3.52921308769880E-04f64) + * X + - 4.09645850658433E-03f64) + * X + + 3.48198973061469E-02f64; RT2 = (((((-1.89554881382342E-08f64 * X + 3.07583114342365E-07f64) * X - + 1.270981734393E-06f64) * X - 1.417298563884E-04f64) * X - + 3.226979163176E-03f64) * X - 4.48902570678178E-02f64) * X + + 1.270981734393E-06f64) + * X + - 1.417298563884E-04f64) + * X + + 3.226979163176E-03f64) + * X + - 4.48902570678178E-02f64) + * X + 3.81567185080039E-01f64; RT3 = ((((((1.77280535300416E-09f64 * X + 3.36524958870615E-08f64) * X - - 2.58341529013893E-07f64) * X - 1.13644895662320E-05f64) * X - - 7.91549618884063E-05f64) * X + 1.03825827346828E-02f64) * X - - 2.04389090525137E-01f64) * X + 1.73730726945889E+00f64; + - 2.58341529013893E-07f64) + * X + - 1.13644895662320E-05f64) + * X + - 7.91549618884063E-05f64) + * X + + 1.03825827346828E-02f64) + * X + - 2.04389090525137E-01f64) + * X + + 1.73730726945889E+00f64; RT4 = (((((-5.61188882415248E-08f64 * X - 2.49480733072460E-07f64) * X - + 3.428685057114E-06f64) * X + 1.679007454539E-04f64) * X - + 4.722855585715E-02f64) * X - 1.39368301737828E+00f64) * X + + 3.428685057114E-06f64) + * X + + 1.679007454539E-04f64) + * X + + 4.722855585715E-02f64) + * X + - 1.39368301737828E+00f64) + * X + 1.18463056481543E+01f64; WW1 = ((((((-1.14649303201279E-08f64 * X + 1.88015570196787E-07f64) * X - - 2.33305875372323E-06f64) * X + 2.68880044371597E-05f64) * X - - 2.94268428977387E-04f64) * X + 3.06548909776613E-03f64) * X - - 3.13844305680096E-02f64) * X + 3.62683783378335E-01f64; + - 2.33305875372323E-06f64) + * X + + 2.68880044371597E-05f64) + * X + - 2.94268428977387E-04f64) + * X + + 3.06548909776613E-03f64) + * X + - 3.13844305680096E-02f64) + * X + + 3.62683783378335E-01f64; WW2 = ((((((((-4.11720483772634E-09f64 * X + 6.54963481852134E-08f64) * X - - 7.20045285129626E-07f64) * X + 6.93779646721723E-06f64) * X - - 6.05367572016373E-05f64) * X + 4.74241566251899E-04f64) * X - - 3.26956188125316E-03f64) * X + 1.91883866626681E-02f64) * X - - 8.98046242565811E-02f64) * X + 3.13706645877886E-01f64; + - 7.20045285129626E-07f64) + * X + + 6.93779646721723E-06f64) + * X + - 6.05367572016373E-05f64) + * X + + 4.74241566251899E-04f64) + * X + - 3.26956188125316E-03f64) + * X + + 1.91883866626681E-02f64) + * X + - 8.98046242565811E-02f64) + * X + + 3.13706645877886E-01f64; WW3 = ((((((((-3.41688436990215E-08f64 * X + 5.07238960340773E-07f64) * X - - 5.01675628408220E-06f64) * X + 4.20363420922845E-05f64) * X - - 3.08040221166823E-04f64) * X + 1.94431864731239E-03f64) * X - - 1.02477820460278E-02f64) * X + 4.28670143840073E-02f64) * X - - 1.29314370962569E-01f64) * X + 2.22381034453369E-01f64; + - 5.01675628408220E-06f64) + * X + + 4.20363420922845E-05f64) + * X + - 3.08040221166823E-04f64) + * X + + 1.94431864731239E-03f64) + * X + - 1.02477820460278E-02f64) + * X + + 4.28670143840073E-02f64) + * X + - 1.29314370962569E-01f64) + * X + + 2.22381034453369E-01f64; WW4 = (((((((((4.99660550769508E-09f64 * X - 7.94585963310120E-08f64) * X - + 8.359072409485E-07f64) * X - 7.422369210610E-06f64) * X - + 5.763374308160E-05f64) * X - 3.86645606718233E-04f64) * X - + 2.18417516259781E-03f64) * X - 9.99791027771119E-03f64) * X - + 3.48791097377370E-02f64) * X - 8.28299075413889E-02f64) * X + + 8.359072409485E-07f64) + * X + - 7.422369210610E-06f64) + * X + + 5.763374308160E-05f64) + * X + - 3.86645606718233E-04f64) + * X + + 2.18417516259781E-03f64) + * X + - 9.99791027771119E-03f64) + * X + + 3.48791097377370E-02f64) + * X + - 8.28299075413889E-02f64) + * X + 1.01228536290376E-01f64; } else if X <= 5 as f64 { Y = X - 3.0E+00f64; RT1 = (((((((((-1.48570633747284E-15f64 * Y - 1.33273068108777E-13f64) * Y - + 4.068543696670E-12f64) * Y - 9.163164161821E-11f64) * Y - + 2.046819017845E-09f64) * Y - 4.03076426299031E-08f64) * Y - + 7.29407420660149E-07f64) * Y - 1.23118059980833E-05f64) * Y - + 1.88796581246938E-04f64) * Y - 2.53262912046853E-03f64) * Y + + 4.068543696670E-12f64) + * Y + - 9.163164161821E-11f64) + * Y + + 2.046819017845E-09f64) + * Y + - 4.03076426299031E-08f64) + * Y + + 7.29407420660149E-07f64) + * Y + - 1.23118059980833E-05f64) + * Y + + 1.88796581246938E-04f64) + * Y + - 2.53262912046853E-03f64) + * Y + 2.51198234505021E-02f64; RT2 = (((((((((1.35830583483312E-13f64 * Y - 2.29772605964836E-12f64) * Y - - 3.821500128045E-12f64) * Y + 6.844424214735E-10f64) * Y - - 1.048063352259E-08f64) * Y + 1.50083186233363E-08f64) * Y - + 3.48848942324454E-06f64) * Y - 1.08694174399193E-04f64) * Y - + 2.08048885251999E-03f64) * Y - 2.91205805373793E-02f64) * Y + - 3.821500128045E-12f64) + * Y + + 6.844424214735E-10f64) + * Y + - 1.048063352259E-08f64) + * Y + + 1.50083186233363E-08f64) + * Y + + 3.48848942324454E-06f64) + * Y + - 1.08694174399193E-04f64) + * Y + + 2.08048885251999E-03f64) + * Y + - 2.91205805373793E-02f64) + * Y + 2.72276489515713E-01f64; RT3 = (((((((((5.02799392850289E-13f64 * Y + 1.07461812944084E-11f64) * Y - - 1.482277886411E-10f64) * Y - 2.153585661215E-09f64) * Y - + 3.654087802817E-08f64) * Y + 5.15929575830120E-07f64) * Y - - 9.52388379435709E-06f64) * Y - 2.16552440036426E-04f64) * Y - + 9.03551469568320E-03f64) * Y - 1.45505469175613E-01f64) * Y + - 1.482277886411E-10f64) + * Y + - 2.153585661215E-09f64) + * Y + + 3.654087802817E-08f64) + * Y + + 5.15929575830120E-07f64) + * Y + - 9.52388379435709E-06f64) + * Y + - 2.16552440036426E-04f64) + * Y + + 9.03551469568320E-03f64) + * Y + - 1.45505469175613E-01f64) + * Y + 1.21449092319186E+00f64; RT4 = (((((((((-1.08510370291979E-12f64 * Y + 6.41492397277798E-11f64) * Y - + 7.542387436125E-10f64) * Y - 2.213111836647E-09f64) * Y - - 1.448228963549E-07f64) * Y - 1.95670833237101E-06f64) * Y - - 1.07481314670844E-05f64) * Y + 1.49335941252765E-04f64) * Y - + 4.87791531990593E-02f64) * Y - 1.10559909038653E+00f64) * Y + + 7.542387436125E-10f64) + * Y + - 2.213111836647E-09f64) + * Y + - 1.448228963549E-07f64) + * Y + - 1.95670833237101E-06f64) + * Y + - 1.07481314670844E-05f64) + * Y + + 1.49335941252765E-04f64) + * Y + + 4.87791531990593E-02f64) + * Y + - 1.10559909038653E+00f64) + * Y + 8.09502028611780E+00f64; WW1 = ((((((((((-4.65801912689961E-14f64 * Y + 7.58669507106800E-13f64) * Y - - 1.186387548048E-11f64) * Y + 1.862334710665E-10f64) * Y - - 2.799399389539E-09f64) * Y + 4.148972684255E-08f64) * Y - - 5.933568079600E-07f64) * Y + 8.168349266115E-06f64) * Y - - 1.08989176177409E-04f64) * Y + 1.41357961729531E-03f64) * Y - - 1.87588361833659E-02f64) * Y + 2.89898651436026E-01f64; + - 1.186387548048E-11f64) + * Y + + 1.862334710665E-10f64) + * Y + - 2.799399389539E-09f64) + * Y + + 4.148972684255E-08f64) + * Y + - 5.933568079600E-07f64) + * Y + + 8.168349266115E-06f64) + * Y + - 1.08989176177409E-04f64) + * Y + + 1.41357961729531E-03f64) + * Y + - 1.87588361833659E-02f64) + * Y + + 2.89898651436026E-01f64; WW2 = ((((((((((((-1.46345073267549E-14f64 * Y + 2.25644205432182E-13f64) * Y - - 3.116258693847E-12f64) * Y + 4.321908756610E-11f64) * Y - - 5.673270062669E-10f64) * Y + 7.006295962960E-09f64) * Y - - 8.120186517000E-08f64) * Y + 8.775294645770E-07f64) * Y - - 8.77829235749024E-06f64) * Y + 8.04372147732379E-05f64) * Y - - 6.64149238804153E-04f64) * Y + 4.81181506827225E-03f64) * Y - - 2.88982669486183E-02f64) * Y + 1.56247249979288E-01f64; + - 3.116258693847E-12f64) + * Y + + 4.321908756610E-11f64) + * Y + - 5.673270062669E-10f64) + * Y + + 7.006295962960E-09f64) + * Y + - 8.120186517000E-08f64) + * Y + + 8.775294645770E-07f64) + * Y + - 8.77829235749024E-06f64) + * Y + + 8.04372147732379E-05f64) + * Y + - 6.64149238804153E-04f64) + * Y + + 4.81181506827225E-03f64) + * Y + - 2.88982669486183E-02f64) + * Y + + 1.56247249979288E-01f64; WW3 = (((((((((((((9.06812118895365E-15f64 * Y - 1.40541322766087E-13f64) * Y - + 1.919270015269E-12f64) * Y - 2.605135739010E-11f64) * Y - + 3.299685839012E-10f64) * Y - 3.86354139348735E-09f64) * Y - + 4.16265847927498E-08f64) * Y - 4.09462835471470E-07f64) * Y - + 3.64018881086111E-06f64) * Y - 2.88665153269386E-05f64) * Y - + 2.00515819789028E-04f64) * Y - 1.18791896897934E-03f64) * Y - + 5.75223633388589E-03f64) * Y - 2.09400418772687E-02f64) * Y + + 1.919270015269E-12f64) + * Y + - 2.605135739010E-11f64) + * Y + + 3.299685839012E-10f64) + * Y + - 3.86354139348735E-09f64) + * Y + + 4.16265847927498E-08f64) + * Y + - 4.09462835471470E-07f64) + * Y + + 3.64018881086111E-06f64) + * Y + - 2.88665153269386E-05f64) + * Y + + 2.00515819789028E-04f64) + * Y + - 1.18791896897934E-03f64) + * Y + + 5.75223633388589E-03f64) + * Y + - 2.09400418772687E-02f64) + * Y + 4.85368861938873E-02f64; - WW4 = ((((((((((((((-9.74835552342257E-16f64 * Y + 1.57857099317175E-14f64) * Y - - 2.249993780112E-13f64) * Y + 3.173422008953E-12f64) * Y - - 4.161159459680E-11f64) * Y + 5.021343560166E-10f64) * Y - - 5.545047534808E-09f64) * Y + 5.554146993491E-08f64) * Y - - 4.99048696190133E-07f64) * Y + 3.96650392371311E-06f64) * Y - - 2.73816413291214E-05f64) * Y + 1.60106988333186E-04f64) * Y - - 7.64560567879592E-04f64) * Y + 2.81330044426892E-03f64) * Y - - 7.16227030134947E-03f64) * Y + 9.66077262223353E-03f64; + WW4 = ((((((((((((((-9.74835552342257E-16f64 * Y + 1.57857099317175E-14f64) + * Y + - 2.249993780112E-13f64) + * Y + + 3.173422008953E-12f64) + * Y + - 4.161159459680E-11f64) + * Y + + 5.021343560166E-10f64) + * Y + - 5.545047534808E-09f64) + * Y + + 5.554146993491E-08f64) + * Y + - 4.99048696190133E-07f64) + * Y + + 3.96650392371311E-06f64) + * Y + - 2.73816413291214E-05f64) + * Y + + 1.60106988333186E-04f64) + * Y + - 7.64560567879592E-04f64) + * Y + + 2.81330044426892E-03f64) + * Y + - 7.16227030134947E-03f64) + * Y + + 9.66077262223353E-03f64; } else if X <= 10.0f64 { Y = X - 7.5E+00f64; RT1 = (((((((((4.64217329776215E-15f64 * Y - 6.27892383644164E-15f64) * Y - + 3.462236347446E-13f64) * Y - 2.927229355350E-11f64) * Y - + 5.090355371676E-10f64) * Y - 9.97272656345253E-09f64) * Y - + 2.37835295639281E-07f64) * Y - 4.60301761310921E-06f64) * Y - + 8.42824204233222E-05f64) * Y - 1.37983082233081E-03f64) * Y + + 3.462236347446E-13f64) + * Y + - 2.927229355350E-11f64) + * Y + + 5.090355371676E-10f64) + * Y + - 9.97272656345253E-09f64) + * Y + + 2.37835295639281E-07f64) + * Y + - 4.60301761310921E-06f64) + * Y + + 8.42824204233222E-05f64) + * Y + - 1.37983082233081E-03f64) + * Y + 1.66630865869375E-02f64; RT2 = (((((((((2.93981127919047E-14f64 * Y + 8.47635639065744E-13f64) * Y - - 1.446314544774E-11f64) * Y - 6.149155555753E-12f64) * Y - + 8.484275604612E-10f64) * Y - 6.10898827887652E-08f64) * Y - + 2.39156093611106E-06f64) * Y - 5.35837089462592E-05f64) * Y - + 1.00967602595557E-03f64) * Y - 1.57769317127372E-02f64) * Y + - 1.446314544774E-11f64) + * Y + - 6.149155555753E-12f64) + * Y + + 8.484275604612E-10f64) + * Y + - 6.10898827887652E-08f64) + * Y + + 2.39156093611106E-06f64) + * Y + - 5.35837089462592E-05f64) + * Y + + 1.00967602595557E-03f64) + * Y + - 1.57769317127372E-02f64) + * Y + 1.74853819464285E-01f64; RT3 = ((((((((((2.93523563363000E-14f64 * Y - 6.40041776667020E-14f64) * Y - - 2.695740446312E-12f64) * Y + 1.027082960169E-10f64) * Y - - 5.822038656780E-10f64) * Y - 3.159991002539E-08f64) * Y - + 4.327249251331E-07f64) * Y + 4.856768455119E-06f64) * Y - - 2.54617989427762E-04f64) * Y + 5.54843378106589E-03f64) * Y - - 7.95013029486684E-02f64) * Y + 7.20206142703162E-01f64; + - 2.695740446312E-12f64) + * Y + + 1.027082960169E-10f64) + * Y + - 5.822038656780E-10f64) + * Y + - 3.159991002539E-08f64) + * Y + + 4.327249251331E-07f64) + * Y + + 4.856768455119E-06f64) + * Y + - 2.54617989427762E-04f64) + * Y + + 5.54843378106589E-03f64) + * Y + - 7.95013029486684E-02f64) + * Y + + 7.20206142703162E-01f64; RT4 = (((((((((((-1.62212382394553E-14f64 * Y + 7.68943641360593E-13f64) * Y - + 5.764015756615E-12f64) * Y - 1.380635298784E-10f64) * Y - - 1.476849808675E-09f64) * Y + 1.84347052385605E-08f64) * Y - + 3.34382940759405E-07f64) * Y - 1.39428366421645E-06f64) * Y - - 7.50249313713996E-05f64) * Y - 6.26495899187507E-04f64) * Y - + 4.69716410901162E-02f64) * Y - 6.66871297428209E-01f64) * Y + + 5.764015756615E-12f64) + * Y + - 1.380635298784E-10f64) + * Y + - 1.476849808675E-09f64) + * Y + + 1.84347052385605E-08f64) + * Y + + 3.34382940759405E-07f64) + * Y + - 1.39428366421645E-06f64) + * Y + - 7.50249313713996E-05f64) + * Y + - 6.26495899187507E-04f64) + * Y + + 4.69716410901162E-02f64) + * Y + - 6.66871297428209E-01f64) + * Y + 4.11207530217806E+00f64; WW1 = ((((((((((-1.65995045235997E-15f64 * Y + 6.91838935879598E-14f64) * Y - - 9.131223418888E-13f64) * Y + 1.403341829454E-11f64) * Y - - 3.672235069444E-10f64) * Y + 6.366962546990E-09f64) * Y - - 1.039220021671E-07f64) * Y + 1.959098751715E-06f64) * Y - - 3.33474893152939E-05f64) * Y + 5.72164211151013E-04f64) * Y - - 1.05583210553392E-02f64) * Y + 2.26696066029591E-01f64; + - 9.131223418888E-13f64) + * Y + + 1.403341829454E-11f64) + * Y + - 3.672235069444E-10f64) + * Y + + 6.366962546990E-09f64) + * Y + - 1.039220021671E-07f64) + * Y + + 1.959098751715E-06f64) + * Y + - 3.33474893152939E-05f64) + * Y + + 5.72164211151013E-04f64) + * Y + - 1.05583210553392E-02f64) + * Y + + 2.26696066029591E-01f64; WW2 = ((((((((((((-3.57248951192047E-16f64 * Y + 6.25708409149331E-15f64) * Y - - 9.657033089714E-14f64) * Y + 1.507864898748E-12f64) * Y - - 2.332522256110E-11f64) * Y + 3.428545616603E-10f64) * Y - - 4.698730937661E-09f64) * Y + 6.219977635130E-08f64) * Y - - 7.83008889613661E-07f64) * Y + 9.08621687041567E-06f64) * Y - - 9.86368311253873E-05f64) * Y + 9.69632496710088E-04f64) * Y - - 8.14594214284187E-03f64) * Y + 8.50218447733457E-02f64; + - 9.657033089714E-14f64) + * Y + + 1.507864898748E-12f64) + * Y + - 2.332522256110E-11f64) + * Y + + 3.428545616603E-10f64) + * Y + - 4.698730937661E-09f64) + * Y + + 6.219977635130E-08f64) + * Y + - 7.83008889613661E-07f64) + * Y + + 9.08621687041567E-06f64) + * Y + - 9.86368311253873E-05f64) + * Y + + 9.69632496710088E-04f64) + * Y + - 8.14594214284187E-03f64) + * Y + + 8.50218447733457E-02f64; WW3 = (((((((((((((1.64742458534277E-16f64 * Y - 2.68512265928410E-15f64) * Y - + 3.788890667676E-14f64) * Y - 5.508918529823E-13f64) * Y - + 7.555896810069E-12f64) * Y - 9.69039768312637E-11f64) * Y - + 1.16034263529672E-09f64) * Y - 1.28771698573873E-08f64) * Y - + 1.31949431805798E-07f64) * Y - 1.23673915616005E-06f64) * Y - + 1.04189803544936E-05f64) * Y - 7.79566003744742E-05f64) * Y - + 5.03162624754434E-04f64) * Y - 2.55138844587555E-03f64) * Y + + 3.788890667676E-14f64) + * Y + - 5.508918529823E-13f64) + * Y + + 7.555896810069E-12f64) + * Y + - 9.69039768312637E-11f64) + * Y + + 1.16034263529672E-09f64) + * Y + - 1.28771698573873E-08f64) + * Y + + 1.31949431805798E-07f64) + * Y + - 1.23673915616005E-06f64) + * Y + + 1.04189803544936E-05f64) + * Y + - 7.79566003744742E-05f64) + * Y + + 5.03162624754434E-04f64) + * Y + - 2.55138844587555E-03f64) + * Y + 1.13250730954014E-02f64; - WW4 = ((((((((((((((-1.55714130075679E-17f64 * Y + 2.57193722698891E-16f64) * Y - - 3.626606654097E-15f64) * Y + 5.234734676175E-14f64) * Y - - 7.067105402134E-13f64) * Y + 8.793512664890E-12f64) * Y - - 1.006088923498E-10f64) * Y + 1.050565098393E-09f64) * Y - - 9.91517881772662E-09f64) * Y + 8.35835975882941E-08f64) * Y - - 6.19785782240693E-07f64) * Y + 3.95841149373135E-06f64) * Y - - 2.11366761402403E-05f64) * Y + 9.00474771229507E-05f64) * Y - - 2.78777909813289E-04f64) * Y + 5.26543779837487E-04f64; + WW4 = ((((((((((((((-1.55714130075679E-17f64 * Y + 2.57193722698891E-16f64) + * Y + - 3.626606654097E-15f64) + * Y + + 5.234734676175E-14f64) + * Y + - 7.067105402134E-13f64) + * Y + + 8.793512664890E-12f64) + * Y + - 1.006088923498E-10f64) + * Y + + 1.050565098393E-09f64) + * Y + - 9.91517881772662E-09f64) + * Y + + 8.35835975882941E-08f64) + * Y + - 6.19785782240693E-07f64) + * Y + + 3.95841149373135E-06f64) + * Y + - 2.11366761402403E-05f64) + * Y + + 9.00474771229507E-05f64) + * Y + - 2.78777909813289E-04f64) + * Y + + 5.26543779837487E-04f64; } else if X <= 15 as f64 { Y = X - 12.5E+00f64; RT1 = (((((((((((4.94869622744119E-17f64 * Y + 8.03568805739160E-16f64) * Y - - 5.599125915431E-15f64) * Y - 1.378685560217E-13f64) * Y - + 7.006511663249E-13f64) * Y + 1.30391406991118E-11f64) * Y - + 8.06987313467541E-11f64) * Y - 5.20644072732933E-09f64) * Y - + 7.72794187755457E-08f64) * Y - 1.61512612564194E-06f64) * Y - + 4.15083811185831E-05f64) * Y - 7.87855975560199E-04f64) * Y + - 5.599125915431E-15f64) + * Y + - 1.378685560217E-13f64) + * Y + + 7.006511663249E-13f64) + * Y + + 1.30391406991118E-11f64) + * Y + + 8.06987313467541E-11f64) + * Y + - 5.20644072732933E-09f64) + * Y + + 7.72794187755457E-08f64) + * Y + - 1.61512612564194E-06f64) + * Y + + 4.15083811185831E-05f64) + * Y + - 7.87855975560199E-04f64) + * Y + 1.14189319050009E-02f64; RT2 = (((((((((((4.89224285522336E-16f64 * Y + 1.06390248099712E-14f64) * Y - - 5.446260182933E-14f64) * Y - 1.613630106295E-12f64) * Y - + 3.910179118937E-12f64) * Y + 1.90712434258806E-10f64) * Y - + 8.78470199094761E-10f64) * Y - 5.97332993206797E-08f64) * Y - + 9.25750831481589E-07f64) * Y - 2.02362185197088E-05f64) * Y - + 4.92341968336776E-04f64) * Y - 8.68438439874703E-03f64) * Y + - 5.446260182933E-14f64) + * Y + - 1.613630106295E-12f64) + * Y + + 3.910179118937E-12f64) + * Y + + 1.90712434258806E-10f64) + * Y + + 8.78470199094761E-10f64) + * Y + - 5.97332993206797E-08f64) + * Y + + 9.25750831481589E-07f64) + * Y + - 2.02362185197088E-05f64) + * Y + + 4.92341968336776E-04f64) + * Y + - 8.68438439874703E-03f64) + * Y + 1.15825965127958E-01f64; RT3 = ((((((((((6.12419396208408E-14f64 * Y + 1.12328861406073E-13f64) * Y - - 9.051094103059E-12f64) * Y - 4.781797525341E-11f64) * Y - + 1.660828868694E-09f64) * Y + 4.499058798868E-10f64) * Y - - 2.519549641933E-07f64) * Y + 4.977444040180E-06f64) * Y - - 1.25858350034589E-04f64) * Y + 2.70279176970044E-03f64) * Y - - 3.99327850801083E-02f64) * Y + 4.33467200855434E-01f64; + - 9.051094103059E-12f64) + * Y + - 4.781797525341E-11f64) + * Y + + 1.660828868694E-09f64) + * Y + + 4.499058798868E-10f64) + * Y + - 2.519549641933E-07f64) + * Y + + 4.977444040180E-06f64) + * Y + - 1.25858350034589E-04f64) + * Y + + 2.70279176970044E-03f64) + * Y + - 3.99327850801083E-02f64) + * Y + + 4.33467200855434E-01f64; RT4 = (((((((((((4.63414725924048E-14f64 * Y - 4.72757262693062E-14f64) * Y - - 1.001926833832E-11f64) * Y + 6.074107718414E-11f64) * Y - + 1.576976911942E-09f64) * Y - 2.01186401974027E-08f64) * Y - - 1.84530195217118E-07f64) * Y + 5.02333087806827E-06f64) * Y - + 9.66961790843006E-06f64) * Y - 1.58522208889528E-03f64) * Y - + 2.80539673938339E-02f64) * Y - 2.78953904330072E-01f64) * Y + - 1.001926833832E-11f64) + * Y + + 6.074107718414E-11f64) + * Y + + 1.576976911942E-09f64) + * Y + - 2.01186401974027E-08f64) + * Y + - 1.84530195217118E-07f64) + * Y + + 5.02333087806827E-06f64) + * Y + + 9.66961790843006E-06f64) + * Y + - 1.58522208889528E-03f64) + * Y + + 2.80539673938339E-02f64) + * Y + - 2.78953904330072E-01f64) + * Y + 1.82835655238235E+00f64; WW4 = (((((((((((((2.90401781000996E-18f64 * Y - 4.63389683098251E-17f64) * Y - + 6.274018198326E-16f64) * Y - 8.936002188168E-15f64) * Y - + 1.194719074934E-13f64) * Y - 1.45501321259466E-12f64) * Y - + 1.64090830181013E-11f64) * Y - 1.71987745310181E-10f64) * Y - + 1.63738403295718E-09f64) * Y - 1.39237504892842E-08f64) * Y - + 1.06527318142151E-07f64) * Y - 7.27634957230524E-07f64) * Y - + 4.12159381310339E-06f64) * Y - 1.74648169719173E-05f64) * Y + + 6.274018198326E-16f64) + * Y + - 8.936002188168E-15f64) + * Y + + 1.194719074934E-13f64) + * Y + - 1.45501321259466E-12f64) + * Y + + 1.64090830181013E-11f64) + * Y + - 1.71987745310181E-10f64) + * Y + + 1.63738403295718E-09f64) + * Y + - 1.39237504892842E-08f64) + * Y + + 1.06527318142151E-07f64) + * Y + - 7.27634957230524E-07f64) + * Y + + 4.12159381310339E-06f64) + * Y + - 1.74648169719173E-05f64) + * Y + 8.50290130067818E-05f64; WW3 = ((((((((((((-4.19569145459480E-17f64 * Y + 5.94344180261644E-16f64) * Y - - 1.148797566469E-14f64) * Y + 1.881303962576E-13f64) * Y - - 2.413554618391E-12f64) * Y + 3.372127423047E-11f64) * Y - - 4.933988617784E-10f64) * Y + 6.116545396281E-09f64) * Y - - 6.69965691739299E-08f64) * Y + 7.52380085447161E-07f64) * Y - - 8.08708393262321E-06f64) * Y + 6.88603417296672E-05f64) * Y - - 4.67067112993427E-04f64) * Y + 5.42313365864597E-03f64; + - 1.148797566469E-14f64) + * Y + + 1.881303962576E-13f64) + * Y + - 2.413554618391E-12f64) + * Y + + 3.372127423047E-11f64) + * Y + - 4.933988617784E-10f64) + * Y + + 6.116545396281E-09f64) + * Y + - 6.69965691739299E-08f64) + * Y + + 7.52380085447161E-07f64) + * Y + - 8.08708393262321E-06f64) + * Y + + 6.88603417296672E-05f64) + * Y + - 4.67067112993427E-04f64) + * Y + + 5.42313365864597E-03f64; WW2 = ((((((((((-6.22272689880615E-15f64 * Y + 1.04126809657554E-13f64) * Y - - 6.842418230913E-13f64) * Y + 1.576841731919E-11f64) * Y - - 4.203948834175E-10f64) * Y + 6.287255934781E-09f64) * Y - - 8.307159819228E-08f64) * Y + 1.356478091922E-06f64) * Y - - 2.08065576105639E-05f64) * Y + 2.52396730332340E-04f64) * Y - - 2.94484050194539E-03f64) * Y + 6.01396183129168E-02f64; + - 6.842418230913E-13f64) + * Y + + 1.576841731919E-11f64) + * Y + - 4.203948834175E-10f64) + * Y + + 6.287255934781E-09f64) + * Y + - 8.307159819228E-08f64) + * Y + + 1.356478091922E-06f64) + * Y + - 2.08065576105639E-05f64) + * Y + + 2.52396730332340E-04f64) + * Y + - 2.94484050194539E-03f64) + * Y + + 6.01396183129168E-02f64; WW1 = (((-1.8784686463512E-01f64 / X + 2.2991849164985E-01f64) / X - - 4.9893752514047E-01f64) / X - 2.1916512131607E-05f64) * exp(-X) - + sqrt(0.78539816339744827900f64 / X) - WW4 - WW3 - WW2; + - 4.9893752514047E-01f64) + / X + - 2.1916512131607E-05f64) + * exp(-X) + + sqrt(0.78539816339744827900f64 / X) + - WW4 + - WW3 + - WW2; } else if X <= 20 as f64 { WW1 = sqrt(0.78539816339744827900f64 / X); Y = X - 17.5E+00f64; RT1 = (((((((((((4.36701759531398E-17f64 * Y - 1.12860600219889E-16f64) * Y - - 6.149849164164E-15f64) * Y + 5.820231579541E-14f64) * Y - + 4.396602872143E-13f64) * Y - 1.24330365320172E-11f64) * Y - + 6.71083474044549E-11f64) * Y + 2.43865205376067E-10f64) * Y - + 1.67559587099969E-08f64) * Y - 9.32738632357572E-07f64) * Y - + 2.39030487004977E-05f64) * Y - 4.68648206591515E-04f64) * Y + - 6.149849164164E-15f64) + * Y + + 5.820231579541E-14f64) + * Y + + 4.396602872143E-13f64) + * Y + - 1.24330365320172E-11f64) + * Y + + 6.71083474044549E-11f64) + * Y + + 2.43865205376067E-10f64) + * Y + + 1.67559587099969E-08f64) + * Y + - 9.32738632357572E-07f64) + * Y + + 2.39030487004977E-05f64) + * Y + - 4.68648206591515E-04f64) + * Y + 8.34977776583956E-03f64; RT2 = (((((((((((4.98913142288158E-16f64 * Y - 2.60732537093612E-16f64) * Y - - 7.775156445127E-14f64) * Y + 5.766105220086E-13f64) * Y - + 6.432696729600E-12f64) * Y - 1.39571683725792E-10f64) * Y - + 5.95451479522191E-10f64) * Y + 2.42471442836205E-09f64) * Y - + 2.47485710143120E-07f64) * Y - 1.14710398652091E-05f64) * Y - + 2.71252453754519E-04f64) * Y - 4.96812745851408E-03f64) * Y + - 7.775156445127E-14f64) + * Y + + 5.766105220086E-13f64) + * Y + + 6.432696729600E-12f64) + * Y + - 1.39571683725792E-10f64) + * Y + + 5.95451479522191E-10f64) + * Y + + 2.42471442836205E-09f64) + * Y + + 2.47485710143120E-07f64) + * Y + - 1.14710398652091E-05f64) + * Y + + 2.71252453754519E-04f64) + * Y + - 4.96812745851408E-03f64) + * Y + 8.26020602026780E-02f64; RT3 = (((((((((((1.91498302509009E-15f64 * Y + 1.48840394311115E-14f64) * Y - - 4.316925145767E-13f64) * Y + 1.186495793471E-12f64) * Y - + 4.615806713055E-11f64) * Y - 5.54336148667141E-10f64) * Y - + 3.48789978951367E-10f64) * Y - 2.79188977451042E-09f64) * Y - + 2.09563208958551E-06f64) * Y - 6.76512715080324E-05f64) * Y - + 1.32129867629062E-03f64) * Y - 2.05062147771513E-02f64) * Y + - 4.316925145767E-13f64) + * Y + + 1.186495793471E-12f64) + * Y + + 4.615806713055E-11f64) + * Y + - 5.54336148667141E-10f64) + * Y + + 3.48789978951367E-10f64) + * Y + - 2.79188977451042E-09f64) + * Y + + 2.09563208958551E-06f64) + * Y + - 6.76512715080324E-05f64) + * Y + + 1.32129867629062E-03f64) + * Y + - 2.05062147771513E-02f64) + * Y + 2.88068671894324E-01f64; RT4 = (((((((((((-5.43697691672942E-15f64 * Y - 1.12483395714468E-13f64) * Y - + 2.826607936174E-12f64) * Y - 1.266734493280E-11f64) * Y - - 4.258722866437E-10f64) * Y + 9.45486578503261E-09f64) * Y - - 5.86635622821309E-08f64) * Y - 1.28835028104639E-06f64) * Y - + 4.41413815691885E-05f64) * Y - 7.61738385590776E-04f64) * Y - + 9.66090902985550E-03f64) * Y - 1.01410568057649E-01f64) * Y + + 2.826607936174E-12f64) + * Y + - 1.266734493280E-11f64) + * Y + - 4.258722866437E-10f64) + * Y + + 9.45486578503261E-09f64) + * Y + - 5.86635622821309E-08f64) + * Y + - 1.28835028104639E-06f64) + * Y + + 4.41413815691885E-05f64) + * Y + - 7.61738385590776E-04f64) + * Y + + 9.66090902985550E-03f64) + * Y + - 1.01410568057649E-01f64) + * Y + 9.54714798156712E-01f64; WW4 = ((((((((((((-7.56882223582704E-19f64 * Y + 7.53541779268175E-18f64) * Y - - 1.157318032236E-16f64) * Y + 2.411195002314E-15f64) * Y - - 3.601794386996E-14f64) * Y + 4.082150659615E-13f64) * Y - - 4.289542980767E-12f64) * Y + 5.086829642731E-11f64) * Y - - 6.35435561050807E-10f64) * Y + 6.82309323251123E-09f64) * Y - - 5.63374555753167E-08f64) * Y + 3.57005361100431E-07f64) * Y - - 2.40050045173721E-06f64) * Y + 4.94171300536397E-05f64; + - 1.157318032236E-16f64) + * Y + + 2.411195002314E-15f64) + * Y + - 3.601794386996E-14f64) + * Y + + 4.082150659615E-13f64) + * Y + - 4.289542980767E-12f64) + * Y + + 5.086829642731E-11f64) + * Y + - 6.35435561050807E-10f64) + * Y + + 6.82309323251123E-09f64) + * Y + - 5.63374555753167E-08f64) + * Y + + 3.57005361100431E-07f64) + * Y + - 2.40050045173721E-06f64) + * Y + + 4.94171300536397E-05f64; WW3 = (((((((((((-5.54451040921657E-17f64 * Y + 2.68748367250999E-16f64) * Y - + 1.349020069254E-14f64) * Y - 2.507452792892E-13f64) * Y - + 1.944339743818E-12f64) * Y - 1.29816917658823E-11f64) * Y - + 3.49977768819641E-10f64) * Y - 8.67270669346398E-09f64) * Y - + 1.31381116840118E-07f64) * Y - 1.36790720600822E-06f64) * Y - + 1.19210697673160E-05f64) * Y - 1.42181943986587E-04f64) * Y + + 1.349020069254E-14f64) + * Y + - 2.507452792892E-13f64) + * Y + + 1.944339743818E-12f64) + * Y + - 1.29816917658823E-11f64) + * Y + + 3.49977768819641E-10f64) + * Y + - 8.67270669346398E-09f64) + * Y + + 1.31381116840118E-07f64) + * Y + - 1.36790720600822E-06f64) + * Y + + 1.19210697673160E-05f64) + * Y + - 1.42181943986587E-04f64) + * Y + 4.12615396191829E-03f64; WW2 = (((((((((((-1.86506057729700E-16f64 * Y + 1.16661114435809E-15f64) * Y - + 2.563712856363E-14f64) * Y - 4.498350984631E-13f64) * Y - + 1.765194089338E-12f64) * Y + 9.04483676345625E-12f64) * Y - + 4.98930345609785E-10f64) * Y - 2.11964170928181E-08f64) * Y - + 3.98295476005614E-07f64) * Y - 5.49390160829409E-06f64) * Y - + 7.74065155353262E-05f64) * Y - 1.48201933009105E-03f64) * Y + + 2.563712856363E-14f64) + * Y + - 4.498350984631E-13f64) + * Y + + 1.765194089338E-12f64) + * Y + + 9.04483676345625E-12f64) + * Y + + 4.98930345609785E-10f64) + * Y + - 2.11964170928181E-08f64) + * Y + + 3.98295476005614E-07f64) + * Y + - 5.49390160829409E-06f64) + * Y + + 7.74065155353262E-05f64) + * Y + - 1.48201933009105E-03f64) + * Y + 4.97836392625268E-02f64; - WW1 = ((1.9623264149430E-01f64 / X - 4.9695241464490E-01f64) / X - - 6.0156581186481E-05f64) * exp(-X) + WW1 - WW2 - WW3 - WW4; + WW1 = ((1.9623264149430E-01f64 / X - 4.9695241464490E-01f64) / X - 6.0156581186481E-05f64) + * exp(-X) + + WW1 + - WW2 + - WW3 + - WW4; } else if X <= 35 as f64 { WW1 = sqrt(0.78539816339744827900f64 / X); E = exp(-X); RT1 = ((((((-4.45711399441838E-05f64 * X + 1.27267770241379E-03f64) * X - - 2.36954961381262E-01f64) * X + 1.54330657903756E+01f64) * X - - 5.22799159267808E+02f64) * X + 1.05951216669313E+04f64) * X + - 2.36954961381262E-01f64) + * X + + 1.54330657903756E+01f64) + * X + - 5.22799159267808E+02f64) + * X + + 1.05951216669313E+04f64) + * X + (-2.51177235556236E+06f64 / X + 8.72975373557709E+05f64) / X - - 1.29194382386499E+05f64) * E + R14 / (X - R14); + - 1.29194382386499E+05f64) + * E + + R14 / (X - R14); RT2 = (((((-7.85617372254488E-02f64 * X + 6.35653573484868E+00f64) * X - - 3.38296938763990E+02f64) * X + 1.25120495802096E+04f64) * X - - 3.16847570511637E+05f64) * X + - 3.38296938763990E+02f64) + * X + + 1.25120495802096E+04f64) + * X + - 3.16847570511637E+05f64) + * X + ((-1.02427466127427E+09f64 / X + 3.70104713293016E+08f64) / X - - 5.87119005093822E+07f64) / X + 5.38614211391604E+06f64) * E + - 5.87119005093822E+07f64) + / X + + 5.38614211391604E+06f64) + * E + R24 / (X - R24); RT3 = (((((-2.37900485051067E-01f64 * X + 1.84122184400896E+01f64) * X - - 1.00200731304146E+03f64) * X + 3.75151841595736E+04f64) * X - - 9.50626663390130E+05f64) * X + - 1.00200731304146E+03f64) + * X + + 3.75151841595736E+04f64) + * X + - 9.50626663390130E+05f64) + * X + ((-2.88139014651985E+09f64 / X + 1.06625915044526E+09f64) / X - - 1.72465289687396E+08f64) / X + 1.60419390230055E+07f64) * E + - 1.72465289687396E+08f64) + / X + + 1.60419390230055E+07f64) + * E + R34 / (X - R34); RT4 = ((((((-6.00691586407385E-04f64 * X - 3.64479545338439E-01f64) * X - + 1.57496131755179E+01f64) * X - 6.54944248734901E+02f64) * X - + 1.70830039597097E+04f64) * X - 2.90517939780207E+05f64) * X + + 1.57496131755179E+01f64) + * X + - 6.54944248734901E+02f64) + * X + + 1.70830039597097E+04f64) + * X + - 2.90517939780207E+05f64) + * X + (3.49059698304732E+07f64 / X - 1.64944522586065E+07f64) / X - + 2.96817940164703E+06f64) * E + R44 / (X - R44); + + 2.96817940164703E+06f64) + * E + + R44 / (X - R44); if X <= 25 as f64 { WW4 = (((((((2.33766206773151E-07f64 * X - 3.81542906607063E-05f64) * X - + 3.51416601267000E-03f64) * X - 1.66538571864728E-01f64) * X - + 4.80006136831847E+00f64) * X - 8.73165934223603E+01f64) * X - + 9.77683627474638E+02f64) * X + 1.66000945117640E+04f64 / X - - 6.14479071209961E+03f64) * E + W44 * WW1; + + 3.51416601267000E-03f64) + * X + - 1.66538571864728E-01f64) + * X + + 4.80006136831847E+00f64) + * X + - 8.73165934223603E+01f64) + * X + + 9.77683627474638E+02f64) + * X + + 1.66000945117640E+04f64 / X + - 6.14479071209961E+03f64) + * E + + W44 * WW1; } else { WW4 = ((((((5.74245945342286E-06f64 * X - 7.58735928102351E-05f64) * X - + 2.35072857922892E-04f64) * X - 3.78812134013125E-03f64) * X - + 3.09871652785805E-01f64) * X - 7.11108633061306E+00f64) * X - + 5.55297573149528E+01f64) * E + W44 * WW1; + + 2.35072857922892E-04f64) + * X + - 3.78812134013125E-03f64) + * X + + 3.09871652785805E-01f64) + * X + - 7.11108633061306E+00f64) + * X + + 5.55297573149528E+01f64) + * E + + W44 * WW1; } WW3 = ((((((2.36392855180768E-04f64 * X - 9.16785337967013E-03f64) * X - + 4.62186525041313E-01f64) * X - 1.96943786006540E+01f64) * X - + 4.99169195295559E+02f64) * X - 6.21419845845090E+03f64) * X + + 4.62186525041313E-01f64) + * X + - 1.96943786006540E+01f64) + * X + + 4.99169195295559E+02f64) + * X + - 6.21419845845090E+03f64) + * X + ((5.21445053212414E+07f64 / X - 1.34113464389309E+07f64) / X - + 1.13673298305631E+06f64) / X - 2.81501182042707E+03f64) * E + + 1.13673298305631E+06f64) + / X + - 2.81501182042707E+03f64) + * E + W34 * WW1; WW2 = ((((((7.29841848989391E-04f64 * X - 3.53899555749875E-02f64) * X - + 2.07797425718513E+00f64) * X - 1.00464709786287E+02f64) * X - + 3.15206108877819E+03f64) * X - 6.27054715090012E+04f64) * X + + 2.07797425718513E+00f64) + * X + - 1.00464709786287E+02f64) + * X + + 3.15206108877819E+03f64) + * X + - 6.27054715090012E+04f64) + * X + (1.54721246264919E+07f64 / X - 5.26074391316381E+06f64) / X - + 7.67135400969617E+05f64) * E + W24 * WW1; - WW1 = ((1.9623264149430E-01f64 / X - 4.9695241464490E-01f64) / X - - 6.0156581186481E-05f64) * E + WW1 - WW2 - WW3 - WW4; + + 7.67135400969617E+05f64) + * E + + W24 * WW1; + WW1 = ((1.9623264149430E-01f64 / X - 4.9695241464490E-01f64) / X - 6.0156581186481E-05f64) + * E + + WW1 + - WW2 + - WW3 + - WW4; } else if X <= 53 as f64 { WW1 = sqrt(0.78539816339744827900f64 / X); E = exp(-X) * pow(X, 4 as f64); RT4 = ((-2.19135070169653E-03f64 * X - 1.19108256987623E-01f64) * X - - 7.50238795695573E-01f64) * E + R44 / (X - R44); + - 7.50238795695573E-01f64) + * E + + R44 / (X - R44); RT3 = ((-9.65842534508637E-04f64 * X - 4.49822013469279E-02f64) * X - + 6.08784033347757E-01f64) * E + R34 / (X - R34); + + 6.08784033347757E-01f64) + * E + + R34 / (X - R34); RT2 = ((-3.62569791162153E-04f64 * X - 9.09231717268466E-03f64) * X - + 1.84336760556262E-01f64) * E + R24 / (X - R24); + + 1.84336760556262E-01f64) + * E + + R24 / (X - R24); RT1 = ((-4.07557525914600E-05f64 * X - 6.88846864931685E-04f64) * X - + 1.74725309199384E-02f64) * E + R14 / (X - R14); + + 1.74725309199384E-02f64) + * E + + R14 / (X - R14); WW4 = ((5.76631982000990E-06f64 * X - 7.89187283804890E-05f64) * X - + 3.28297971853126E-04f64) * E + W44 * WW1; + + 3.28297971853126E-04f64) + * E + + W44 * WW1; WW3 = ((2.08294969857230E-04f64 * X - 3.77489954837361E-03f64) * X - + 2.09857151617436E-02f64) * E + W34 * WW1; + + 2.09857151617436E-02f64) + * E + + W34 * WW1; WW2 = ((6.16374517326469E-04f64 * X - 1.26711744680092E-02f64) * X - + 8.14504890732155E-02f64) * E + W24 * WW1; + + 8.14504890732155E-02f64) + * E + + W24 * WW1; WW1 = WW1 - WW2 - WW3 - WW4; } else { WW1 = sqrt(0.78539816339744827900f64 / X); @@ -4853,11 +5637,7 @@ unsafe extern "C" fn rys_root4( *weights.offset(3 as isize) = WW4; return 0 as i32; } -unsafe extern "C" fn rys_root5( - mut X: f64, - mut roots: *mut f64, - mut weights: *mut f64, -) -> i32 { +unsafe extern "C" fn rys_root5(mut X: f64, mut roots: *mut f64, mut weights: *mut f64) -> i32 { let mut R15: f64 = 0.; let mut R25: f64 = 0.; let mut W25: f64 = 0.; @@ -4902,459 +5682,1394 @@ unsafe extern "C" fn rys_root5( WW5 = 6.66713443086877E-02f64 - 5.73782817488315E-02f64 * X; } else if X < 1.0f64 { RT1 = ((((((-4.46679165328413E-11f64 * X + 1.21879111988031E-09f64) * X - - 2.62975022612104E-08f64) * X + 5.15106194905897E-07f64) * X - - 9.27933625824749E-06f64) * X + 1.51794097682482E-04f64) * X - - 2.15865967920301E-03f64) * X + 2.26659266316985E-02f64; + - 2.62975022612104E-08f64) + * X + + 5.15106194905897E-07f64) + * X + - 9.27933625824749E-06f64) + * X + + 1.51794097682482E-04f64) + * X + - 2.15865967920301E-03f64) + * X + + 2.26659266316985E-02f64; RT2 = ((((((1.93117331714174E-10f64 * X - 4.57267589660699E-09f64) * X - + 2.48339908218932E-08f64) * X + 1.50716729438474E-06f64) * X - - 6.07268757707381E-05f64) * X + 1.37506939145643E-03f64) * X - - 2.20258754419939E-02f64) * X + 2.31271692140905E-01f64; + + 2.48339908218932E-08f64) + * X + + 1.50716729438474E-06f64) + * X + - 6.07268757707381E-05f64) + * X + + 1.37506939145643E-03f64) + * X + - 2.20258754419939E-02f64) + * X + + 2.31271692140905E-01f64; RT3 = (((((4.84989776180094E-09f64 * X + 1.31538893944284E-07f64) * X - - 2.766753852879E-06f64) * X - 7.651163510626E-05f64) * X - + 4.033058545972E-03f64) * X - 8.16520022916145E-02f64) * X + - 2.766753852879E-06f64) + * X + - 7.651163510626E-05f64) + * X + + 4.033058545972E-03f64) + * X + - 8.16520022916145E-02f64) + * X + 8.57346024118779E-01f64; RT4 = ((((-2.48581772214623E-07f64 * X - 4.34482635782585E-06f64) * X - - 7.46018257987630E-07f64) * X + 1.01210776517279E-02f64) * X - - 2.83193369640005E-01f64) * X + 2.97353038120345E+00f64; + - 7.46018257987630E-07f64) + * X + + 1.01210776517279E-02f64) + * X + - 2.83193369640005E-01f64) + * X + + 2.97353038120345E+00f64; RT5 = (((((-8.92432153868554E-09f64 * X + 1.77288899268988E-08f64) * X - + 3.040754680666E-06f64) * X + 1.058229325071E-04f64) * X - + 4.596379534985E-02f64) * X - 1.75382723579114E+00f64) * X + + 3.040754680666E-06f64) + * X + + 1.058229325071E-04f64) + * X + + 4.596379534985E-02f64) + * X + - 1.75382723579114E+00f64) + * X + 1.84151859759049E+01f64; WW1 = ((((((-2.03822632771791E-09f64 * X + 3.89110229133810E-08f64) * X - - 5.84914787904823E-07f64) * X + 8.30316168666696E-06f64) * X - - 1.13218402310546E-04f64) * X + 1.49128888586790E-03f64) * X - - 1.96867576904816E-02f64) * X + 2.95524224714749E-01f64; + - 5.84914787904823E-07f64) + * X + + 8.30316168666696E-06f64) + * X + - 1.13218402310546E-04f64) + * X + + 1.49128888586790E-03f64) + * X + - 1.96867576904816E-02f64) + * X + + 2.95524224714749E-01f64; WW2 = (((((((8.62848118397570E-09f64 * X - 1.38975551148989E-07f64) * X - + 1.602894068228E-06f64) * X - 1.646364300836E-05f64) * X - + 1.538445806778E-04f64) * X - 1.28848868034502E-03f64) * X - + 9.38866933338584E-03f64) * X - 5.61737590178812E-02f64) * X + + 1.602894068228E-06f64) + * X + - 1.646364300836E-05f64) + * X + + 1.538445806778E-04f64) + * X + - 1.28848868034502E-03f64) + * X + + 9.38866933338584E-03f64) + * X + - 5.61737590178812E-02f64) + * X + 2.69266719309991E-01f64; WW3 = ((((((((-9.41953204205665E-09f64 * X + 1.47452251067755E-07f64) * X - - 1.57456991199322E-06f64) * X + 1.45098401798393E-05f64) * X - - 1.18858834181513E-04f64) * X + 8.53697675984210E-04f64) * X - - 5.22877807397165E-03f64) * X + 2.60854524809786E-02f64) * X - - 9.71152726809059E-02f64) * X + 2.19086362515979E-01f64; + - 1.57456991199322E-06f64) + * X + + 1.45098401798393E-05f64) + * X + - 1.18858834181513E-04f64) + * X + + 8.53697675984210E-04f64) + * X + - 5.22877807397165E-03f64) + * X + + 2.60854524809786E-02f64) + * X + - 9.71152726809059E-02f64) + * X + + 2.19086362515979E-01f64; WW4 = ((((((((-3.84961617022042E-08f64 * X + 5.66595396544470E-07f64) * X - - 5.52351805403748E-06f64) * X + 4.53160377546073E-05f64) * X - - 3.22542784865557E-04f64) * X + 1.95682017370967E-03f64) * X - - 9.77232537679229E-03f64) * X + 3.79455945268632E-02f64) * X - - 1.02979262192227E-01f64) * X + 1.49451349150573E-01f64; + - 5.52351805403748E-06f64) + * X + + 4.53160377546073E-05f64) + * X + - 3.22542784865557E-04f64) + * X + + 1.95682017370967E-03f64) + * X + - 9.77232537679229E-03f64) + * X + + 3.79455945268632E-02f64) + * X + - 1.02979262192227E-01f64) + * X + + 1.49451349150573E-01f64; WW5 = (((((((((4.09594812521430E-09f64 * X - 6.47097874264417E-08f64) * X - + 6.743541482689E-07f64) * X - 5.917993920224E-06f64) * X - + 4.531969237381E-05f64) * X - 2.99102856679638E-04f64) * X - + 1.65695765202643E-03f64) * X - 7.40671222520653E-03f64) * X - + 2.50889946832192E-02f64) * X - 5.73782817487958E-02f64) * X + + 6.743541482689E-07f64) + * X + - 5.917993920224E-06f64) + * X + + 4.531969237381E-05f64) + * X + - 2.99102856679638E-04f64) + * X + + 1.65695765202643E-03f64) + * X + - 7.40671222520653E-03f64) + * X + + 2.50889946832192E-02f64) + * X + - 5.73782817487958E-02f64) + * X + 6.66713443086877E-02f64; } else if X < 5.0f64 { Y = X - 3.0E+00f64; RT1 = ((((((((-2.58163897135138E-14f64 * Y + 8.14127461488273E-13f64) * Y - - 2.11414838976129E-11f64) * Y + 5.09822003260014E-10f64) * Y - - 1.16002134438663E-08f64) * Y + 2.46810694414540E-07f64) * Y - - 4.92556826124502E-06f64) * Y + 9.02580687971053E-05f64) * Y - - 1.45190025120726E-03f64) * Y + 1.73416786387475E-02f64; + - 2.11414838976129E-11f64) + * Y + + 5.09822003260014E-10f64) + * Y + - 1.16002134438663E-08f64) + * Y + + 2.46810694414540E-07f64) + * Y + - 4.92556826124502E-06f64) + * Y + + 9.02580687971053E-05f64) + * Y + - 1.45190025120726E-03f64) + * Y + + 1.73416786387475E-02f64; RT2 = (((((((((1.04525287289788E-14f64 * Y + 5.44611782010773E-14f64) * Y - - 4.831059411392E-12f64) * Y + 1.136643908832E-10f64) * Y - - 1.104373076913E-09f64) * Y - 2.35346740649916E-08f64) * Y - + 1.43772622028764E-06f64) * Y - 4.23405023015273E-05f64) * Y - + 9.12034574793379E-04f64) * Y - 1.52479441718739E-02f64) * Y + - 4.831059411392E-12f64) + * Y + + 1.136643908832E-10f64) + * Y + - 1.104373076913E-09f64) + * Y + - 2.35346740649916E-08f64) + * Y + + 1.43772622028764E-06f64) + * Y + - 4.23405023015273E-05f64) + * Y + + 9.12034574793379E-04f64) + * Y + - 1.52479441718739E-02f64) + * Y + 1.76055265928744E-01f64; RT3 = (((((((((-6.89693150857911E-14f64 * Y + 5.92064260918861E-13f64) * Y - + 1.847170956043E-11f64) * Y - 3.390752744265E-10f64) * Y - - 2.995532064116E-09f64) * Y + 1.57456141058535E-07f64) * Y - - 3.95859409711346E-07f64) * Y - 9.58924580919747E-05f64) * Y - + 3.23551502557785E-03f64) * Y - 5.97587007636479E-02f64) * Y + + 1.847170956043E-11f64) + * Y + - 3.390752744265E-10f64) + * Y + - 2.995532064116E-09f64) + * Y + + 1.57456141058535E-07f64) + * Y + - 3.95859409711346E-07f64) + * Y + - 9.58924580919747E-05f64) + * Y + + 3.23551502557785E-03f64) + * Y + - 5.97587007636479E-02f64) + * Y + 6.46432853383057E-01f64; RT4 = ((((((((-3.61293809667763E-12f64 * Y - 2.70803518291085E-11f64) * Y - + 8.83758848468769E-10f64) * Y + 1.59166632851267E-08f64) * Y - - 1.32581997983422E-07f64) * Y - 7.60223407443995E-06f64) * Y - - 7.41019244900952E-05f64) * Y + 9.81432631743423E-03f64) * Y - - 2.23055570487771E-01f64) * Y + 2.21460798080643E+00f64; + + 8.83758848468769E-10f64) + * Y + + 1.59166632851267E-08f64) + * Y + - 1.32581997983422E-07f64) + * Y + - 7.60223407443995E-06f64) + * Y + - 7.41019244900952E-05f64) + * Y + + 9.81432631743423E-03f64) + * Y + - 2.23055570487771E-01f64) + * Y + + 2.21460798080643E+00f64; RT5 = (((((((((7.12332088345321E-13f64 * Y + 3.16578501501894E-12f64) * Y - - 8.776668218053E-11f64) * Y - 2.342817613343E-09f64) * Y - - 3.496962018025E-08f64) * Y - 3.03172870136802E-07f64) * Y - + 1.50511293969805E-06f64) * Y + 1.37704919387696E-04f64) * Y - + 4.70723869619745E-02f64) * Y - 1.47486623003693E+00f64) * Y + - 8.776668218053E-11f64) + * Y + - 2.342817613343E-09f64) + * Y + - 3.496962018025E-08f64) + * Y + - 3.03172870136802E-07f64) + * Y + + 1.50511293969805E-06f64) + * Y + + 1.37704919387696E-04f64) + * Y + + 4.70723869619745E-02f64) + * Y + - 1.47486623003693E+00f64) + * Y + 1.35704792175847E+01f64; WW1 = (((((((((1.04348658616398E-13f64 * Y - 1.94147461891055E-12f64) * Y - + 3.485512360993E-11f64) * Y - 6.277497362235E-10f64) * Y - + 1.100758247388E-08f64) * Y - 1.88329804969573E-07f64) * Y - + 3.12338120839468E-06f64) * Y - 5.04404167403568E-05f64) * Y - + 8.00338056610995E-04f64) * Y - 1.30892406559521E-02f64) * Y + + 3.485512360993E-11f64) + * Y + - 6.277497362235E-10f64) + * Y + + 1.100758247388E-08f64) + * Y + - 1.88329804969573E-07f64) + * Y + + 3.12338120839468E-06f64) + * Y + - 5.04404167403568E-05f64) + * Y + + 8.00338056610995E-04f64) + * Y + - 1.30892406559521E-02f64) + * Y + 2.47383140241103E-01f64; WW2 = (((((((((((3.23496149760478E-14f64 * Y - 5.24314473469311E-13f64) * Y - + 7.743219385056E-12f64) * Y - 1.146022750992E-10f64) * Y - + 1.615238462197E-09f64) * Y - 2.15479017572233E-08f64) * Y - + 2.70933462557631E-07f64) * Y - 3.18750295288531E-06f64) * Y - + 3.47425221210099E-05f64) * Y - 3.45558237388223E-04f64) * Y - + 3.05779768191621E-03f64) * Y - 2.29118251223003E-02f64) * Y + + 7.743219385056E-12f64) + * Y + - 1.146022750992E-10f64) + * Y + + 1.615238462197E-09f64) + * Y + - 2.15479017572233E-08f64) + * Y + + 2.70933462557631E-07f64) + * Y + - 3.18750295288531E-06f64) + * Y + + 3.47425221210099E-05f64) + * Y + - 3.45558237388223E-04f64) + * Y + + 3.05779768191621E-03f64) + * Y + - 2.29118251223003E-02f64) + * Y + 1.59834227924213E-01f64; WW3 = ((((((((((((-3.42790561802876E-14f64 * Y + 5.26475736681542E-13f64) * Y - - 7.184330797139E-12f64) * Y + 9.763932908544E-11f64) * Y - - 1.244014559219E-09f64) * Y + 1.472744068942E-08f64) * Y - - 1.611749975234E-07f64) * Y + 1.616487851917E-06f64) * Y - - 1.46852359124154E-05f64) * Y + 1.18900349101069E-04f64) * Y - - 8.37562373221756E-04f64) * Y + 4.93752683045845E-03f64) * Y - - 2.25514728915673E-02f64) * Y + 6.95211812453929E-02f64; + - 7.184330797139E-12f64) + * Y + + 9.763932908544E-11f64) + * Y + - 1.244014559219E-09f64) + * Y + + 1.472744068942E-08f64) + * Y + - 1.611749975234E-07f64) + * Y + + 1.616487851917E-06f64) + * Y + - 1.46852359124154E-05f64) + * Y + + 1.18900349101069E-04f64) + * Y + - 8.37562373221756E-04f64) + * Y + + 4.93752683045845E-03f64) + * Y + - 2.25514728915673E-02f64) + * Y + + 6.95211812453929E-02f64; WW4 = (((((((((((((1.04072340345039E-14f64 * Y - 1.60808044529211E-13f64) * Y - + 2.183534866798E-12f64) * Y - 2.939403008391E-11f64) * Y - + 3.679254029085E-10f64) * Y - 4.23775673047899E-09f64) * Y - + 4.46559231067006E-08f64) * Y - 4.26488836563267E-07f64) * Y - + 3.64721335274973E-06f64) * Y - 2.74868382777722E-05f64) * Y - + 1.78586118867488E-04f64) * Y - 9.68428981886534E-04f64) * Y - + 4.16002324339929E-03f64) * Y - 1.28290192663141E-02f64) * Y + + 2.183534866798E-12f64) + * Y + - 2.939403008391E-11f64) + * Y + + 3.679254029085E-10f64) + * Y + - 4.23775673047899E-09f64) + * Y + + 4.46559231067006E-08f64) + * Y + - 4.26488836563267E-07f64) + * Y + + 3.64721335274973E-06f64) + * Y + - 2.74868382777722E-05f64) + * Y + + 1.78586118867488E-04f64) + * Y + - 9.68428981886534E-04f64) + * Y + + 4.16002324339929E-03f64) + * Y + - 1.28290192663141E-02f64) + * Y + 2.22353727685016E-02f64; - WW5 = ((((((((((((((-8.16770412525963E-16f64 * Y + 1.31376515047977E-14f64) * Y - - 1.856950818865E-13f64) * Y + 2.596836515749E-12f64) * Y - - 3.372639523006E-11f64) * Y + 4.025371849467E-10f64) * Y - - 4.389453269417E-09f64) * Y + 4.332753856271E-08f64) * Y - - 3.82673275931962E-07f64) * Y + 2.98006900751543E-06f64) * Y - - 2.00718990300052E-05f64) * Y + 1.13876001386361E-04f64) * Y - - 5.23627942443563E-04f64) * Y + 1.83524565118203E-03f64) * Y - - 4.37785737450783E-03f64) * Y + 5.36963805223095E-03f64; + WW5 = ((((((((((((((-8.16770412525963E-16f64 * Y + 1.31376515047977E-14f64) + * Y + - 1.856950818865E-13f64) + * Y + + 2.596836515749E-12f64) + * Y + - 3.372639523006E-11f64) + * Y + + 4.025371849467E-10f64) + * Y + - 4.389453269417E-09f64) + * Y + + 4.332753856271E-08f64) + * Y + - 3.82673275931962E-07f64) + * Y + + 2.98006900751543E-06f64) + * Y + - 2.00718990300052E-05f64) + * Y + + 1.13876001386361E-04f64) + * Y + - 5.23627942443563E-04f64) + * Y + + 1.83524565118203E-03f64) + * Y + - 4.37785737450783E-03f64) + * Y + + 5.36963805223095E-03f64; } else if X < 10.0f64 { Y = X - 7.5E+00f64; RT1 = ((((((((-1.13825201010775E-14f64 * Y + 1.89737681670375E-13f64) * Y - - 4.81561201185876E-12f64) * Y + 1.56666512163407E-10f64) * Y - - 3.73782213255083E-09f64) * Y + 9.15858355075147E-08f64) * Y - - 2.13775073585629E-06f64) * Y + 4.56547356365536E-05f64) * Y - - 8.68003909323740E-04f64) * Y + 1.22703754069176E-02f64; + - 4.81561201185876E-12f64) + * Y + + 1.56666512163407E-10f64) + * Y + - 3.73782213255083E-09f64) + * Y + + 9.15858355075147E-08f64) + * Y + - 2.13775073585629E-06f64) + * Y + + 4.56547356365536E-05f64) + * Y + - 8.68003909323740E-04f64) + * Y + + 1.22703754069176E-02f64; RT2 = (((((((((-3.67160504428358E-15f64 * Y + 1.27876280158297E-14f64) * Y - - 1.296476623788E-12f64) * Y + 1.477175434354E-11f64) * Y - + 5.464102147892E-10f64) * Y - 2.42538340602723E-08f64) * Y - + 8.20460740637617E-07f64) * Y - 2.20379304598661E-05f64) * Y - + 4.90295372978785E-04f64) * Y - 9.14294111576119E-03f64) * Y + - 1.296476623788E-12f64) + * Y + + 1.477175434354E-11f64) + * Y + + 5.464102147892E-10f64) + * Y + - 2.42538340602723E-08f64) + * Y + + 8.20460740637617E-07f64) + * Y + - 2.20379304598661E-05f64) + * Y + + 4.90295372978785E-04f64) + * Y + - 9.14294111576119E-03f64) + * Y + 1.22590403403690E-01f64; RT3 = (((((((((1.39017367502123E-14f64 * Y - 6.96391385426890E-13f64) * Y - + 1.176946020731E-12f64) * Y + 1.725627235645E-10f64) * Y - - 3.686383856300E-09f64) * Y + 2.87495324207095E-08f64) * Y - + 1.71307311000282E-06f64) * Y - 7.94273603184629E-05f64) * Y - + 2.00938064965897E-03f64) * Y - 3.63329491677178E-02f64) * Y + + 1.176946020731E-12f64) + * Y + + 1.725627235645E-10f64) + * Y + - 3.686383856300E-09f64) + * Y + + 2.87495324207095E-08f64) + * Y + + 1.71307311000282E-06f64) + * Y + - 7.94273603184629E-05f64) + * Y + + 2.00938064965897E-03f64) + * Y + - 3.63329491677178E-02f64) + * Y + 4.34393683888443E-01f64; RT4 = ((((((((((-1.27815158195209E-14f64 * Y + 1.99910415869821E-14f64) * Y - + 3.753542914426E-12f64) * Y - 2.708018219579E-11f64) * Y - - 1.190574776587E-09f64) * Y + 1.106696436509E-08f64) * Y - + 3.954955671326E-07f64) * Y - 4.398596059588E-06f64) * Y - - 2.01087998907735E-04f64) * Y + 7.89092425542937E-03f64) * Y - - 1.42056749162695E-01f64) * Y + 1.39964149420683E+00f64; + + 3.753542914426E-12f64) + * Y + - 2.708018219579E-11f64) + * Y + - 1.190574776587E-09f64) + * Y + + 1.106696436509E-08f64) + * Y + + 3.954955671326E-07f64) + * Y + - 4.398596059588E-06f64) + * Y + - 2.01087998907735E-04f64) + * Y + + 7.89092425542937E-03f64) + * Y + - 1.42056749162695E-01f64) + * Y + + 1.39964149420683E+00f64; RT5 = ((((((((((-1.19442341030461E-13f64 * Y - 2.34074833275956E-12f64) * Y - + 6.861649627426E-12f64) * Y + 6.082671496226E-10f64) * Y - + 5.381160105420E-09f64) * Y - 6.253297138700E-08f64) * Y - - 2.135966835050E-06f64) * Y - 2.373394341886E-05f64) * Y - + 2.88711171412814E-06f64) * Y + 4.85221195290753E-02f64) * Y - - 1.04346091985269E+00f64) * Y + 7.89901551676692E+00f64; + + 6.861649627426E-12f64) + * Y + + 6.082671496226E-10f64) + * Y + + 5.381160105420E-09f64) + * Y + - 6.253297138700E-08f64) + * Y + - 2.135966835050E-06f64) + * Y + - 2.373394341886E-05f64) + * Y + + 2.88711171412814E-06f64) + * Y + + 4.85221195290753E-02f64) + * Y + - 1.04346091985269E+00f64) + * Y + + 7.89901551676692E+00f64; WW1 = (((((((((7.95526040108997E-15f64 * Y - 2.48593096128045E-13f64) * Y - + 4.761246208720E-12f64) * Y - 9.535763686605E-11f64) * Y - + 2.225273630974E-09f64) * Y - 4.49796778054865E-08f64) * Y - + 9.17812870287386E-07f64) * Y - 1.86764236490502E-05f64) * Y - + 3.76807779068053E-04f64) * Y - 8.10456360143408E-03f64) * Y + + 4.761246208720E-12f64) + * Y + - 9.535763686605E-11f64) + * Y + + 2.225273630974E-09f64) + * Y + - 4.49796778054865E-08f64) + * Y + + 9.17812870287386E-07f64) + * Y + - 1.86764236490502E-05f64) + * Y + + 3.76807779068053E-04f64) + * Y + - 8.10456360143408E-03f64) + * Y + 2.01097936411496E-01f64; WW2 = (((((((((((1.25678686624734E-15f64 * Y - 2.34266248891173E-14f64) * Y - + 3.973252415832E-13f64) * Y - 6.830539401049E-12f64) * Y - + 1.140771033372E-10f64) * Y - 1.82546185762009E-09f64) * Y - + 2.77209637550134E-08f64) * Y - 4.01726946190383E-07f64) * Y - + 5.48227244014763E-06f64) * Y - 6.95676245982121E-05f64) * Y - + 8.05193921815776E-04f64) * Y - 8.15528438784469E-03f64) * Y + + 3.973252415832E-13f64) + * Y + - 6.830539401049E-12f64) + * Y + + 1.140771033372E-10f64) + * Y + - 1.82546185762009E-09f64) + * Y + + 2.77209637550134E-08f64) + * Y + - 4.01726946190383E-07f64) + * Y + + 5.48227244014763E-06f64) + * Y + - 6.95676245982121E-05f64) + * Y + + 8.05193921815776E-04f64) + * Y + - 8.15528438784469E-03f64) + * Y + 9.71769901268114E-02f64; WW3 = ((((((((((((-8.20929494859896E-16f64 * Y + 1.37356038393016E-14f64) * Y - - 2.022863065220E-13f64) * Y + 3.058055403795E-12f64) * Y - - 4.387890955243E-11f64) * Y + 5.923946274445E-10f64) * Y - - 7.503659964159E-09f64) * Y + 8.851599803902E-08f64) * Y - - 9.65561998415038E-07f64) * Y + 9.60884622778092E-06f64) * Y - - 8.56551787594404E-05f64) * Y + 6.66057194311179E-04f64) * Y - - 4.17753183902198E-03f64) * Y + 2.25443826852447E-02f64; - WW4 = ((((((((((((((-1.08764612488790E-17f64 * Y + 1.85299909689937E-16f64) * Y - - 2.730195628655E-15f64) * Y + 4.127368817265E-14f64) * Y - - 5.881379088074E-13f64) * Y + 7.805245193391E-12f64) * Y - - 9.632707991704E-11f64) * Y + 1.099047050624E-09f64) * Y - - 1.15042731790748E-08f64) * Y + 1.09415155268932E-07f64) * Y - - 9.33687124875935E-07f64) * Y + 7.02338477986218E-06f64) * Y - - 4.53759748787756E-05f64) * Y + 2.41722511389146E-04f64) * Y - - 9.75935943447037E-04f64) * Y + 2.57520532789644E-03f64; - WW5 = (((((((((((((((7.28996979748849E-19f64 * Y - 1.26518146195173E-17f64) * Y - + 1.886145834486E-16f64) * Y - 2.876728287383E-15f64) * Y - + 4.114588668138E-14f64) * Y - 5.44436631413933E-13f64) * Y - + 6.64976446790959E-12f64) * Y - 7.44560069974940E-11f64) * Y - + 7.57553198166848E-10f64) * Y - 6.92956101109829E-09f64) * Y - + 5.62222859033624E-08f64) * Y - 3.97500114084351E-07f64) * Y - + 2.39039126138140E-06f64) * Y - 1.18023950002105E-05f64) * Y - + 4.52254031046244E-05f64) * Y - 1.21113782150370E-04f64) * Y + - 2.022863065220E-13f64) + * Y + + 3.058055403795E-12f64) + * Y + - 4.387890955243E-11f64) + * Y + + 5.923946274445E-10f64) + * Y + - 7.503659964159E-09f64) + * Y + + 8.851599803902E-08f64) + * Y + - 9.65561998415038E-07f64) + * Y + + 9.60884622778092E-06f64) + * Y + - 8.56551787594404E-05f64) + * Y + + 6.66057194311179E-04f64) + * Y + - 4.17753183902198E-03f64) + * Y + + 2.25443826852447E-02f64; + WW4 = ((((((((((((((-1.08764612488790E-17f64 * Y + 1.85299909689937E-16f64) + * Y + - 2.730195628655E-15f64) + * Y + + 4.127368817265E-14f64) + * Y + - 5.881379088074E-13f64) + * Y + + 7.805245193391E-12f64) + * Y + - 9.632707991704E-11f64) + * Y + + 1.099047050624E-09f64) + * Y + - 1.15042731790748E-08f64) + * Y + + 1.09415155268932E-07f64) + * Y + - 9.33687124875935E-07f64) + * Y + + 7.02338477986218E-06f64) + * Y + - 4.53759748787756E-05f64) + * Y + + 2.41722511389146E-04f64) + * Y + - 9.75935943447037E-04f64) + * Y + + 2.57520532789644E-03f64; + WW5 = (((((((((((((((7.28996979748849E-19f64 * Y - 1.26518146195173E-17f64) + * Y + + 1.886145834486E-16f64) + * Y + - 2.876728287383E-15f64) + * Y + + 4.114588668138E-14f64) + * Y + - 5.44436631413933E-13f64) + * Y + + 6.64976446790959E-12f64) + * Y + - 7.44560069974940E-11f64) + * Y + + 7.57553198166848E-10f64) + * Y + - 6.92956101109829E-09f64) + * Y + + 5.62222859033624E-08f64) + * Y + - 3.97500114084351E-07f64) + * Y + + 2.39039126138140E-06f64) + * Y + - 1.18023950002105E-05f64) + * Y + + 4.52254031046244E-05f64) + * Y + - 1.21113782150370E-04f64) + * Y + 1.75013126731224E-04f64; } else if X < 15.0f64 { Y = X - 12.5E+00f64; RT1 = ((((((((((-4.16387977337393E-17f64 * Y + 7.20872997373860E-16f64) * Y - + 1.395993802064E-14f64) * Y + 3.660484641252E-14f64) * Y - - 4.154857548139E-12f64) * Y + 2.301379846544E-11f64) * Y - - 1.033307012866E-09f64) * Y + 3.997777641049E-08f64) * Y - - 9.35118186333939E-07f64) * Y + 2.38589932752937E-05f64) * Y - - 5.35185183652937E-04f64) * Y + 8.85218988709735E-03f64; + + 1.395993802064E-14f64) + * Y + + 3.660484641252E-14f64) + * Y + - 4.154857548139E-12f64) + * Y + + 2.301379846544E-11f64) + * Y + - 1.033307012866E-09f64) + * Y + + 3.997777641049E-08f64) + * Y + - 9.35118186333939E-07f64) + * Y + + 2.38589932752937E-05f64) + * Y + - 5.35185183652937E-04f64) + * Y + + 8.85218988709735E-03f64; RT2 = ((((((((((-4.56279214732217E-16f64 * Y + 6.24941647247927E-15f64) * Y - + 1.737896339191E-13f64) * Y + 8.964205979517E-14f64) * Y - - 3.538906780633E-11f64) * Y + 9.561341254948E-11f64) * Y - - 9.772831891310E-09f64) * Y + 4.240340194620E-07f64) * Y - - 1.02384302866534E-05f64) * Y + 2.57987709704822E-04f64) * Y - - 5.54735977651677E-03f64) * Y + 8.68245143991948E-02f64; + + 1.737896339191E-13f64) + * Y + + 8.964205979517E-14f64) + * Y + - 3.538906780633E-11f64) + * Y + + 9.561341254948E-11f64) + * Y + - 9.772831891310E-09f64) + * Y + + 4.240340194620E-07f64) + * Y + - 1.02384302866534E-05f64) + * Y + + 2.57987709704822E-04f64) + * Y + - 5.54735977651677E-03f64) + * Y + + 8.68245143991948E-02f64; RT3 = ((((((((((-2.52879337929239E-15f64 * Y + 2.13925810087833E-14f64) * Y - + 7.884307667104E-13f64) * Y - 9.023398159510E-13f64) * Y - - 5.814101544957E-11f64) * Y - 1.333480437968E-09f64) * Y - - 2.217064940373E-08f64) * Y + 1.643290788086E-06f64) * Y - - 4.39602147345028E-05f64) * Y + 1.08648982748911E-03f64) * Y - - 2.13014521653498E-02f64) * Y + 2.94150684465425E-01f64; + + 7.884307667104E-13f64) + * Y + - 9.023398159510E-13f64) + * Y + - 5.814101544957E-11f64) + * Y + - 1.333480437968E-09f64) + * Y + - 2.217064940373E-08f64) + * Y + + 1.643290788086E-06f64) + * Y + - 4.39602147345028E-05f64) + * Y + + 1.08648982748911E-03f64) + * Y + - 2.13014521653498E-02f64) + * Y + + 2.94150684465425E-01f64; RT4 = ((((((((((-6.42391438038888E-15f64 * Y + 5.37848223438815E-15f64) * Y - + 8.960828117859E-13f64) * Y + 5.214153461337E-11f64) * Y - - 1.106601744067E-10f64) * Y - 2.007890743962E-08f64) * Y - + 1.543764346501E-07f64) * Y + 4.520749076914E-06f64) * Y - - 1.88893338587047E-04f64) * Y + 4.73264487389288E-03f64) * Y - - 7.91197893350253E-02f64) * Y + 8.60057928514554E-01f64; + + 8.960828117859E-13f64) + * Y + + 5.214153461337E-11f64) + * Y + - 1.106601744067E-10f64) + * Y + - 2.007890743962E-08f64) + * Y + + 1.543764346501E-07f64) + * Y + + 4.520749076914E-06f64) + * Y + - 1.88893338587047E-04f64) + * Y + + 4.73264487389288E-03f64) + * Y + - 7.91197893350253E-02f64) + * Y + + 8.60057928514554E-01f64; RT5 = (((((((((((-2.24366166957225E-14f64 * Y + 4.87224967526081E-14f64) * Y - + 5.587369053655E-12f64) * Y - 3.045253104617E-12f64) * Y - - 1.223983883080E-09f64) * Y - 2.05603889396319E-09f64) * Y - + 2.58604071603561E-07f64) * Y + 1.34240904266268E-06f64) * Y - - 5.72877569731162E-05f64) * Y - 9.56275105032191E-04f64) * Y - + 4.23367010370921E-02f64) * Y - 5.76800927133412E-01f64) * Y + + 5.587369053655E-12f64) + * Y + - 3.045253104617E-12f64) + * Y + - 1.223983883080E-09f64) + * Y + - 2.05603889396319E-09f64) + * Y + + 2.58604071603561E-07f64) + * Y + + 1.34240904266268E-06f64) + * Y + - 5.72877569731162E-05f64) + * Y + - 9.56275105032191E-04f64) + * Y + + 4.23367010370921E-02f64) + * Y + - 5.76800927133412E-01f64) + * Y + 3.87328263873381E+00f64; WW1 = (((((((((8.98007931950169E-15f64 * Y + 7.25673623859497E-14f64) * Y - + 5.851494250405E-14f64) * Y - 4.234204823846E-11f64) * Y - + 3.911507312679E-10f64) * Y - 9.65094802088511E-09f64) * Y - + 3.42197444235714E-07f64) * Y - 7.51821178144509E-06f64) * Y - + 1.94218051498662E-04f64) * Y - 5.38533819142287E-03f64) * Y + + 5.851494250405E-14f64) + * Y + - 4.234204823846E-11f64) + * Y + + 3.911507312679E-10f64) + * Y + - 9.65094802088511E-09f64) + * Y + + 3.42197444235714E-07f64) + * Y + - 7.51821178144509E-06f64) + * Y + + 1.94218051498662E-04f64) + * Y + - 5.38533819142287E-03f64) + * Y + 1.68122596736809E-01f64; WW2 = ((((((((((-1.05490525395105E-15f64 * Y + 1.96855386549388E-14f64) * Y - - 5.500330153548E-13f64) * Y + 1.003849567976E-11f64) * Y - - 1.720997242621E-10f64) * Y + 3.533277061402E-09f64) * Y - - 6.389171736029E-08f64) * Y + 1.046236652393E-06f64) * Y - - 1.73148206795827E-05f64) * Y + 2.57820531617185E-04f64) * Y - - 3.46188265338350E-03f64) * Y + 7.03302497508176E-02f64; + - 5.500330153548E-13f64) + * Y + + 1.003849567976E-11f64) + * Y + - 1.720997242621E-10f64) + * Y + + 3.533277061402E-09f64) + * Y + - 6.389171736029E-08f64) + * Y + + 1.046236652393E-06f64) + * Y + - 1.73148206795827E-05f64) + * Y + + 2.57820531617185E-04f64) + * Y + - 3.46188265338350E-03f64) + * Y + + 7.03302497508176E-02f64; WW3 = (((((((((((3.60020423754545E-16f64 * Y - 6.24245825017148E-15f64) * Y - + 9.945311467434E-14f64) * Y - 1.749051512721E-12f64) * Y - + 2.768503957853E-11f64) * Y - 4.08688551136506E-10f64) * Y - + 6.04189063303610E-09f64) * Y - 8.23540111024147E-08f64) * Y - + 1.01503783870262E-06f64) * Y - 1.20490761741576E-05f64) * Y - + 1.26928442448148E-04f64) * Y - 1.05539461930597E-03f64) * Y + + 9.945311467434E-14f64) + * Y + - 1.749051512721E-12f64) + * Y + + 2.768503957853E-11f64) + * Y + - 4.08688551136506E-10f64) + * Y + + 6.04189063303610E-09f64) + * Y + - 8.23540111024147E-08f64) + * Y + + 1.01503783870262E-06f64) + * Y + - 1.20490761741576E-05f64) + * Y + + 1.26928442448148E-04f64) + * Y + - 1.05539461930597E-03f64) + * Y + 1.15543698537013E-02f64; WW4 = (((((((((((((2.51163533058925E-18f64 * Y - 4.31723745510697E-17f64) * Y - + 6.557620865832E-16f64) * Y - 1.016528519495E-14f64) * Y - + 1.491302084832E-13f64) * Y - 2.06638666222265E-12f64) * Y - + 2.67958697789258E-11f64) * Y - 3.23322654638336E-10f64) * Y - + 3.63722952167779E-09f64) * Y - 3.75484943783021E-08f64) * Y - + 3.49164261987184E-07f64) * Y - 2.92658670674908E-06f64) * Y - + 2.12937256719543E-05f64) * Y - 1.19434130620929E-04f64) * Y + + 6.557620865832E-16f64) + * Y + - 1.016528519495E-14f64) + * Y + + 1.491302084832E-13f64) + * Y + - 2.06638666222265E-12f64) + * Y + + 2.67958697789258E-11f64) + * Y + - 3.23322654638336E-10f64) + * Y + + 3.63722952167779E-09f64) + * Y + - 3.75484943783021E-08f64) + * Y + + 3.49164261987184E-07f64) + * Y + - 2.92658670674908E-06f64) + * Y + + 2.12937256719543E-05f64) + * Y + - 1.19434130620929E-04f64) + * Y + 6.45524336158384E-04f64; - WW5 = ((((((((((((((-1.29043630202811E-19f64 * Y + 2.16234952241296E-18f64) * Y - - 3.107631557965E-17f64) * Y + 4.570804313173E-16f64) * Y - - 6.301348858104E-15f64) * Y + 8.031304476153E-14f64) * Y - - 9.446196472547E-13f64) * Y + 1.018245804339E-11f64) * Y - - 9.96995451348129E-11f64) * Y + 8.77489010276305E-10f64) * Y - - 6.84655877575364E-09f64) * Y + 4.64460857084983E-08f64) * Y - - 2.66924538268397E-07f64) * Y + 1.24621276265907E-06f64) * Y - - 4.30868944351523E-06f64) * Y + 9.94307982432868E-06f64; + WW5 = ((((((((((((((-1.29043630202811E-19f64 * Y + 2.16234952241296E-18f64) + * Y + - 3.107631557965E-17f64) + * Y + + 4.570804313173E-16f64) + * Y + - 6.301348858104E-15f64) + * Y + + 8.031304476153E-14f64) + * Y + - 9.446196472547E-13f64) + * Y + + 1.018245804339E-11f64) + * Y + - 9.96995451348129E-11f64) + * Y + + 8.77489010276305E-10f64) + * Y + - 6.84655877575364E-09f64) + * Y + + 4.64460857084983E-08f64) + * Y + - 2.66924538268397E-07f64) + * Y + + 1.24621276265907E-06f64) + * Y + - 4.30868944351523E-06f64) + * Y + + 9.94307982432868E-06f64; } else if X < 20.0f64 { Y = X - 17.5E+00f64; RT1 = ((((((((((1.91875764545740E-16f64 * Y + 7.8357401095707E-16f64) * Y - - 3.260875931644E-14f64) * Y - 1.186752035569E-13f64) * Y - + 4.275180095653E-12f64) * Y + 3.357056136731E-11f64) * Y - - 1.123776903884E-09f64) * Y + 1.231203269887E-08f64) * Y - - 3.99851421361031E-07f64) * Y + 1.45418822817771E-05f64) * Y - - 3.49912254976317E-04f64) * Y + 6.67768703938812E-03f64; + - 3.260875931644E-14f64) + * Y + - 1.186752035569E-13f64) + * Y + + 4.275180095653E-12f64) + * Y + + 3.357056136731E-11f64) + * Y + - 1.123776903884E-09f64) + * Y + + 1.231203269887E-08f64) + * Y + - 3.99851421361031E-07f64) + * Y + + 1.45418822817771E-05f64) + * Y + - 3.49912254976317E-04f64) + * Y + + 6.67768703938812E-03f64; RT2 = ((((((((((2.02778478673555E-15f64 * Y + 1.01640716785099E-14f64) * Y - - 3.385363492036E-13f64) * Y - 1.615655871159E-12f64) * Y - + 4.527419140333E-11f64) * Y + 3.853670706486E-10f64) * Y - - 1.184607130107E-08f64) * Y + 1.347873288827E-07f64) * Y - - 4.47788241748377E-06f64) * Y + 1.54942754358273E-04f64) * Y - - 3.55524254280266E-03f64) * Y + 6.44912219301603E-02f64; + - 3.385363492036E-13f64) + * Y + - 1.615655871159E-12f64) + * Y + + 4.527419140333E-11f64) + * Y + + 3.853670706486E-10f64) + * Y + - 1.184607130107E-08f64) + * Y + + 1.347873288827E-07f64) + * Y + - 4.47788241748377E-06f64) + * Y + + 1.54942754358273E-04f64) + * Y + - 3.55524254280266E-03f64) + * Y + + 6.44912219301603E-02f64; RT3 = ((((((((((7.79850771456444E-15f64 * Y + 6.00464406395001E-14f64) * Y - - 1.249779730869E-12f64) * Y - 1.020720636353E-11f64) * Y - + 1.814709816693E-10f64) * Y + 1.766397336977E-09f64) * Y - - 4.603559449010E-08f64) * Y + 5.863956443581E-07f64) * Y - - 2.03797212506691E-05f64) * Y + 6.31405161185185E-04f64) * Y - - 1.30102750145071E-02f64) * Y + 2.10244289044705E-01f64; + - 1.249779730869E-12f64) + * Y + - 1.020720636353E-11f64) + * Y + + 1.814709816693E-10f64) + * Y + + 1.766397336977E-09f64) + * Y + - 4.603559449010E-08f64) + * Y + + 5.863956443581E-07f64) + * Y + - 2.03797212506691E-05f64) + * Y + + 6.31405161185185E-04f64) + * Y + - 1.30102750145071E-02f64) + * Y + + 2.10244289044705E-01f64; RT4 = (((((((((((-2.92397030777912E-15f64 * Y + 1.94152129078465E-14f64) * Y - + 4.859447665850E-13f64) * Y - 3.217227223463E-12f64) * Y - - 7.484522135512E-11f64) * Y + 7.19101516047753E-10f64) * Y - + 6.88409355245582E-09f64) * Y - 1.44374545515769E-07f64) * Y - + 2.74941013315834E-06f64) * Y - 1.02790452049013E-04f64) * Y - + 2.59924221372643E-03f64) * Y - 4.35712368303551E-02f64) * Y + + 4.859447665850E-13f64) + * Y + - 3.217227223463E-12f64) + * Y + - 7.484522135512E-11f64) + * Y + + 7.19101516047753E-10f64) + * Y + + 6.88409355245582E-09f64) + * Y + - 1.44374545515769E-07f64) + * Y + + 2.74941013315834E-06f64) + * Y + - 1.02790452049013E-04f64) + * Y + + 2.59924221372643E-03f64) + * Y + - 4.35712368303551E-02f64) + * Y + 5.62170709585029E-01f64; RT5 = (((((((((((1.17976126840060E-14f64 * Y + 1.24156229350669E-13f64) * Y - - 3.892741622280E-12f64) * Y - 7.755793199043E-12f64) * Y - + 9.492190032313E-10f64) * Y - 4.98680128123353E-09f64) * Y - - 1.81502268782664E-07f64) * Y + 2.69463269394888E-06f64) * Y - + 2.50032154421640E-05f64) * Y - 1.33684303917681E-03f64) * Y - + 2.29121951862538E-02f64) * Y - 2.45653725061323E-01f64) * Y + - 3.892741622280E-12f64) + * Y + - 7.755793199043E-12f64) + * Y + + 9.492190032313E-10f64) + * Y + - 4.98680128123353E-09f64) + * Y + - 1.81502268782664E-07f64) + * Y + + 2.69463269394888E-06f64) + * Y + + 2.50032154421640E-05f64) + * Y + - 1.33684303917681E-03f64) + * Y + + 2.29121951862538E-02f64) + * Y + - 2.45653725061323E-01f64) + * Y + 1.89999883453047E+00f64; WW1 = ((((((((((1.74841995087592E-15f64 * Y - 6.95671892641256E-16f64) * Y - - 3.000659497257E-13f64) * Y + 2.021279817961E-13f64) * Y - + 3.853596935400E-11f64) * Y + 1.461418533652E-10f64) * Y - - 1.014517563435E-08f64) * Y + 1.132736008979E-07f64) * Y - - 2.86605475073259E-06f64) * Y + 1.21958354908768E-04f64) * Y - - 3.86293751153466E-03f64) * Y + 1.45298342081522E-01f64; + - 3.000659497257E-13f64) + * Y + + 2.021279817961E-13f64) + * Y + + 3.853596935400E-11f64) + * Y + + 1.461418533652E-10f64) + * Y + - 1.014517563435E-08f64) + * Y + + 1.132736008979E-07f64) + * Y + - 2.86605475073259E-06f64) + * Y + + 1.21958354908768E-04f64) + * Y + - 3.86293751153466E-03f64) + * Y + + 1.45298342081522E-01f64; WW2 = ((((((((((-1.11199320525573E-15f64 * Y + 1.85007587796671E-15f64) * Y - + 1.220613939709E-13f64) * Y + 1.275068098526E-12f64) * Y - - 5.341838883262E-11f64) * Y + 6.161037256669E-10f64) * Y - - 1.009147879750E-08f64) * Y + 2.907862965346E-07f64) * Y - - 6.12300038720919E-06f64) * Y + 1.00104454489518E-04f64) * Y - - 1.80677298502757E-03f64) * Y + 5.78009914536630E-02f64; + + 1.220613939709E-13f64) + * Y + + 1.275068098526E-12f64) + * Y + - 5.341838883262E-11f64) + * Y + + 6.161037256669E-10f64) + * Y + - 1.009147879750E-08f64) + * Y + + 2.907862965346E-07f64) + * Y + - 6.12300038720919E-06f64) + * Y + + 1.00104454489518E-04f64) + * Y + - 1.80677298502757E-03f64) + * Y + + 5.78009914536630E-02f64; WW3 = ((((((((((-9.49816486853687E-16f64 * Y + 6.67922080354234E-15f64) * Y - + 2.606163540537E-15f64) * Y + 1.983799950150E-12f64) * Y - - 5.400548574357E-11f64) * Y + 6.638043374114E-10f64) * Y - - 8.799518866802E-09f64) * Y + 1.791418482685E-07f64) * Y - - 2.96075397351101E-06f64) * Y + 3.38028206156144E-05f64) * Y - - 3.58426847857878E-04f64) * Y + 8.39213709428516E-03f64; + + 2.606163540537E-15f64) + * Y + + 1.983799950150E-12f64) + * Y + - 5.400548574357E-11f64) + * Y + + 6.638043374114E-10f64) + * Y + - 8.799518866802E-09f64) + * Y + + 1.791418482685E-07f64) + * Y + - 2.96075397351101E-06f64) + * Y + + 3.38028206156144E-05f64) + * Y + - 3.58426847857878E-04f64) + * Y + + 8.39213709428516E-03f64; WW4 = (((((((((((1.33829971060180E-17f64 * Y - 3.44841877844140E-16f64) * Y - + 4.745009557656E-15f64) * Y - 6.033814209875E-14f64) * Y - + 1.049256040808E-12f64) * Y - 1.70859789556117E-11f64) * Y - + 2.15219425727959E-10f64) * Y - 2.52746574206884E-09f64) * Y - + 3.27761714422960E-08f64) * Y - 3.90387662925193E-07f64) * Y - + 3.46340204593870E-06f64) * Y - 2.43236345136782E-05f64) * Y + + 4.745009557656E-15f64) + * Y + - 6.033814209875E-14f64) + * Y + + 1.049256040808E-12f64) + * Y + - 1.70859789556117E-11f64) + * Y + + 2.15219425727959E-10f64) + * Y + - 2.52746574206884E-09f64) + * Y + + 3.27761714422960E-08f64) + * Y + - 3.90387662925193E-07f64) + * Y + + 3.46340204593870E-06f64) + * Y + - 2.43236345136782E-05f64) + * Y + 3.54846978585226E-04f64; WW5 = (((((((((((((2.69412277020887E-20f64 * Y - 4.24837886165685E-19f64) * Y - + 6.030500065438E-18f64) * Y - 9.069722758289E-17f64) * Y - + 1.246599177672E-15f64) * Y - 1.56872999797549E-14f64) * Y - + 1.87305099552692E-13f64) * Y - 2.09498886675861E-12f64) * Y - + 2.11630022068394E-11f64) * Y - 1.92566242323525E-10f64) * Y - + 1.62012436344069E-09f64) * Y - 1.23621614171556E-08f64) * Y - + 7.72165684563049E-08f64) * Y - 3.59858901591047E-07f64) * Y + + 6.030500065438E-18f64) + * Y + - 9.069722758289E-17f64) + * Y + + 1.246599177672E-15f64) + * Y + - 1.56872999797549E-14f64) + * Y + + 1.87305099552692E-13f64) + * Y + - 2.09498886675861E-12f64) + * Y + + 2.11630022068394E-11f64) + * Y + - 1.92566242323525E-10f64) + * Y + + 1.62012436344069E-09f64) + * Y + - 1.23621614171556E-08f64) + * Y + + 7.72165684563049E-08f64) + * Y + - 3.59858901591047E-07f64) + * Y + 2.43682618601000E-06f64; } else if X < 25.0f64 { Y = X - 22.5E+00f64; RT1 = (((((((((-1.13927848238726E-15f64 * Y + 7.39404133595713E-15f64) * Y - + 1.445982921243E-13f64) * Y - 2.676703245252E-12f64) * Y - + 5.823521627177E-12f64) * Y + 2.17264723874381E-10f64) * Y - + 3.56242145897468E-09f64) * Y - 3.03763737404491E-07f64) * Y - + 9.46859114120901E-06f64) * Y - 2.30896753853196E-04f64) * Y + + 1.445982921243E-13f64) + * Y + - 2.676703245252E-12f64) + * Y + + 5.823521627177E-12f64) + * Y + + 2.17264723874381E-10f64) + * Y + + 3.56242145897468E-09f64) + * Y + - 3.03763737404491E-07f64) + * Y + + 9.46859114120901E-06f64) + * Y + - 2.30896753853196E-04f64) + * Y + 5.24663913001114E-03f64; RT2 = ((((((((((2.89872355524581E-16f64 * Y - 1.22296292045864E-14f64) * Y - + 6.184065097200E-14f64) * Y + 1.649846591230E-12f64) * Y - - 2.729713905266E-11f64) * Y + 3.709913790650E-11f64) * Y - + 2.216486288382E-09f64) * Y + 4.616160236414E-08f64) * Y - - 3.32380270861364E-06f64) * Y + 9.84635072633776E-05f64) * Y - - 2.30092118015697E-03f64) * Y + 5.00845183695073E-02f64; + + 6.184065097200E-14f64) + * Y + + 1.649846591230E-12f64) + * Y + - 2.729713905266E-11f64) + * Y + + 3.709913790650E-11f64) + * Y + + 2.216486288382E-09f64) + * Y + + 4.616160236414E-08f64) + * Y + - 3.32380270861364E-06f64) + * Y + + 9.84635072633776E-05f64) + * Y + - 2.30092118015697E-03f64) + * Y + + 5.00845183695073E-02f64; RT3 = ((((((((((1.97068646590923E-15f64 * Y - 4.89419270626800E-14f64) * Y - + 1.136466605916E-13f64) * Y + 7.546203883874E-12f64) * Y - - 9.635646767455E-11f64) * Y - 8.295965491209E-11f64) * Y - + 7.534109114453E-09f64) * Y + 2.699970652707E-07f64) * Y - - 1.42982334217081E-05f64) * Y + 3.78290946669264E-04f64) * Y - - 8.03133015084373E-03f64) * Y + 1.58689469640791E-01f64; + + 1.136466605916E-13f64) + * Y + + 7.546203883874E-12f64) + * Y + - 9.635646767455E-11f64) + * Y + - 8.295965491209E-11f64) + * Y + + 7.534109114453E-09f64) + * Y + + 2.699970652707E-07f64) + * Y + - 1.42982334217081E-05f64) + * Y + + 3.78290946669264E-04f64) + * Y + - 8.03133015084373E-03f64) + * Y + + 1.58689469640791E-01f64; RT4 = ((((((((((1.33642069941389E-14f64 * Y - 1.55850612605745E-13f64) * Y - - 7.522712577474E-13f64) * Y + 3.209520801187E-11f64) * Y - - 2.075594313618E-10f64) * Y - 2.070575894402E-09f64) * Y - + 7.323046997451E-09f64) * Y + 1.851491550417E-06f64) * Y - - 6.37524802411383E-05f64) * Y + 1.36795464918785E-03f64) * Y - - 2.42051126993146E-02f64) * Y + 3.97847167557815E-01f64; + - 7.522712577474E-13f64) + * Y + + 3.209520801187E-11f64) + * Y + - 2.075594313618E-10f64) + * Y + - 2.070575894402E-09f64) + * Y + + 7.323046997451E-09f64) + * Y + + 1.851491550417E-06f64) + * Y + - 6.37524802411383E-05f64) + * Y + + 1.36795464918785E-03f64) + * Y + - 2.42051126993146E-02f64) + * Y + + 3.97847167557815E-01f64; RT5 = ((((((((((-6.07053986130526E-14f64 * Y + 1.04447493138843E-12f64) * Y - - 4.286617818951E-13f64) * Y - 2.632066100073E-10f64) * Y - + 4.804518986559E-09f64) * Y - 1.835675889421E-08f64) * Y - - 1.068175391334E-06f64) * Y + 3.292234974141E-05f64) * Y - - 5.94805357558251E-04f64) * Y + 8.29382168612791E-03f64) * Y - - 9.93122509049447E-02f64) * Y + 1.09857804755042E+00f64; + - 4.286617818951E-13f64) + * Y + - 2.632066100073E-10f64) + * Y + + 4.804518986559E-09f64) + * Y + - 1.835675889421E-08f64) + * Y + - 1.068175391334E-06f64) + * Y + + 3.292234974141E-05f64) + * Y + - 5.94805357558251E-04f64) + * Y + + 8.29382168612791E-03f64) + * Y + - 9.93122509049447E-02f64) + * Y + + 1.09857804755042E+00f64; WW1 = (((((((((-9.10338640266542E-15f64 * Y + 1.00438927627833E-13f64) * Y - + 7.817349237071E-13f64) * Y - 2.547619474232E-11f64) * Y - + 1.479321506529E-10f64) * Y + 1.52314028857627E-09f64) * Y - + 9.20072040917242E-09f64) * Y - 2.19427111221848E-06f64) * Y - + 8.65797782880311E-05f64) * Y - 2.82718629312875E-03f64) * Y + + 7.817349237071E-13f64) + * Y + - 2.547619474232E-11f64) + * Y + + 1.479321506529E-10f64) + * Y + + 1.52314028857627E-09f64) + * Y + + 9.20072040917242E-09f64) + * Y + - 2.19427111221848E-06f64) + * Y + + 8.65797782880311E-05f64) + * Y + - 2.82718629312875E-03f64) + * Y + 1.28718310443295E-01f64; WW2 = (((((((((5.52380927618760E-15f64 * Y - 6.43424400204124E-14f64) * Y - - 2.358734508092E-13f64) * Y + 8.261326648131E-12f64) * Y - + 9.229645304956E-11f64) * Y - 5.68108973828949E-09f64) * Y - + 1.22477891136278E-07f64) * Y - 2.11919643127927E-06f64) * Y - + 4.23605032368922E-05f64) * Y - 1.14423444576221E-03f64) * Y + - 2.358734508092E-13f64) + * Y + + 8.261326648131E-12f64) + * Y + + 9.229645304956E-11f64) + * Y + - 5.68108973828949E-09f64) + * Y + + 1.22477891136278E-07f64) + * Y + - 2.11919643127927E-06f64) + * Y + + 4.23605032368922E-05f64) + * Y + - 1.14423444576221E-03f64) + * Y + 5.06607252890186E-02f64; WW3 = (((((((((3.99457454087556E-15f64 * Y - 5.11826702824182E-14f64) * Y - - 4.157593182747E-14f64) * Y + 4.214670817758E-12f64) * Y - + 6.705582751532E-11f64) * Y - 3.36086411698418E-09f64) * Y - + 6.07453633298986E-08f64) * Y - 7.40736211041247E-07f64) * Y - + 8.84176371665149E-06f64) * Y - 1.72559275066834E-04f64) * Y + - 4.157593182747E-14f64) + * Y + + 4.214670817758E-12f64) + * Y + + 6.705582751532E-11f64) + * Y + - 3.36086411698418E-09f64) + * Y + + 6.07453633298986E-08f64) + * Y + - 7.40736211041247E-07f64) + * Y + + 8.84176371665149E-06f64) + * Y + - 1.72559275066834E-04f64) + * Y + 7.16639814253567E-03f64; WW4 = (((((((((((-2.14649508112234E-18f64 * Y - 2.45525846412281E-18f64) * Y - + 6.126212599772E-16f64) * Y - 8.526651626939E-15f64) * Y - + 4.826636065733E-14f64) * Y - 3.39554163649740E-13f64) * Y - + 1.67070784862985E-11f64) * Y - 4.42671979311163E-10f64) * Y - + 6.77368055908400E-09f64) * Y - 7.03520999708859E-08f64) * Y - + 6.04993294708874E-07f64) * Y - 7.80555094280483E-06f64) * Y + + 6.126212599772E-16f64) + * Y + - 8.526651626939E-15f64) + * Y + + 4.826636065733E-14f64) + * Y + - 3.39554163649740E-13f64) + * Y + + 1.67070784862985E-11f64) + * Y + - 4.42671979311163E-10f64) + * Y + + 6.77368055908400E-09f64) + * Y + - 7.03520999708859E-08f64) + * Y + + 6.04993294708874E-07f64) + * Y + - 7.80555094280483E-06f64) + * Y + 2.85954806605017E-04f64; WW5 = ((((((((((((-5.63938733073804E-21f64 * Y + 6.92182516324628E-20f64) * Y - - 1.586937691507E-18f64) * Y + 3.357639744582E-17f64) * Y - - 4.810285046442E-16f64) * Y + 5.386312669975E-15f64) * Y - - 6.117895297439E-14f64) * Y + 8.441808227634E-13f64) * Y - - 1.18527596836592E-11f64) * Y + 1.36296870441445E-10f64) * Y - - 1.17842611094141E-09f64) * Y + 7.80430641995926E-09f64) * Y - - 5.97767417400540E-08f64) * Y + 1.65186146094969E-06f64; + - 1.586937691507E-18f64) + * Y + + 3.357639744582E-17f64) + * Y + - 4.810285046442E-16f64) + * Y + + 5.386312669975E-15f64) + * Y + - 6.117895297439E-14f64) + * Y + + 8.441808227634E-13f64) + * Y + - 1.18527596836592E-11f64) + * Y + + 1.36296870441445E-10f64) + * Y + - 1.17842611094141E-09f64) + * Y + + 7.80430641995926E-09f64) + * Y + - 5.97767417400540E-08f64) + * Y + + 1.65186146094969E-06f64; } else if X < 40 as f64 { WW1 = sqrt(0.78539816339744827900f64 / X); E = exp(-X); RT1 = ((((((((-1.73363958895356E-06f64 * X + 1.19921331441483E-04f64) * X - - 1.59437614121125E-02f64) * X + 1.13467897349442E+00f64) * X - - 4.47216460864586E+01f64) * X + 1.06251216612604E+03f64) * X - - 1.52073917378512E+04f64) * X + 1.20662887111273E+05f64) * X - - 4.07186366852475E+05f64) * E + R15 / (X - R15); + - 1.59437614121125E-02f64) + * X + + 1.13467897349442E+00f64) + * X + - 4.47216460864586E+01f64) + * X + + 1.06251216612604E+03f64) + * X + - 1.52073917378512E+04f64) + * X + + 1.20662887111273E+05f64) + * X + - 4.07186366852475E+05f64) + * E + + R15 / (X - R15); RT2 = ((((((((-1.60102542621710E-05f64 * X + 1.10331262112395E-03f64) * X - - 1.50043662589017E-01f64) * X + 1.05563640866077E+01f64) * X - - 4.10468817024806E+02f64) * X + 9.62604416506819E+03f64) * X - - 1.35888069838270E+05f64) * X + 1.06107577038340E+06f64) * X - - 3.51190792816119E+06f64) * E + R25 / (X - R25); + - 1.50043662589017E-01f64) + * X + + 1.05563640866077E+01f64) + * X + - 4.10468817024806E+02f64) + * X + + 9.62604416506819E+03f64) + * X + - 1.35888069838270E+05f64) + * X + + 1.06107577038340E+06f64) + * X + - 3.51190792816119E+06f64) + * E + + R25 / (X - R25); RT3 = ((((((((-4.48880032128422E-05f64 * X + 2.69025112122177E-03f64) * X - - 4.01048115525954E-01f64) * X + 2.78360021977405E+01f64) * X - - 1.04891729356965E+03f64) * X + 2.36985942687423E+04f64) * X - - 3.19504627257548E+05f64) * X + 2.34879693563358E+06f64) * X - - 7.16341568174085E+06f64) * E + R35 / (X - R35); + - 4.01048115525954E-01f64) + * X + + 2.78360021977405E+01f64) + * X + - 1.04891729356965E+03f64) + * X + + 2.36985942687423E+04f64) + * X + - 3.19504627257548E+05f64) + * X + + 2.34879693563358E+06f64) + * X + - 7.16341568174085E+06f64) + * E + + R35 / (X - R35); RT4 = ((((((((-6.38526371092582E-05f64 * X - 2.29263585792626E-03f64) * X - - 7.65735935499627E-02f64) * X + 9.12692349152792E+00f64) * X - - 2.32077034386717E+02f64) * X + 2.81839578728845E+02f64) * X - + 9.59529683876419E+04f64) * X - 1.77638956809518E+06f64) * X - + 1.02489759645410E+07f64) * E + R45 / (X - R45); + - 7.65735935499627E-02f64) + * X + + 9.12692349152792E+00f64) + * X + - 2.32077034386717E+02f64) + * X + + 2.81839578728845E+02f64) + * X + + 9.59529683876419E+04f64) + * X + - 1.77638956809518E+06f64) + * X + + 1.02489759645410E+07f64) + * E + + R45 / (X - R45); RT5 = ((((((((-3.59049364231569E-05f64 * X - 2.25963977930044E-02f64) * X - + 1.12594870794668E+00f64) * X - 4.56752462103909E+01f64) * X - + 1.05804526830637E+03f64) * X - 1.16003199605875E+04f64) * X - - 4.07297627297272E+04f64) * X + 2.22215528319857E+06f64) * X - - 1.61196455032613E+07f64) * E + R55 / (X - R55); + + 1.12594870794668E+00f64) + * X + - 4.56752462103909E+01f64) + * X + + 1.05804526830637E+03f64) + * X + - 1.16003199605875E+04f64) + * X + - 4.07297627297272E+04f64) + * X + + 2.22215528319857E+06f64) + * X + - 1.61196455032613E+07f64) + * E + + R55 / (X - R55); WW5 = (((((((((-4.61100906133970E-10f64 * X + 1.43069932644286E-07f64) * X - - 1.63960915431080E-05f64) * X + 1.15791154612838E-03f64) * X - - 5.30573476742071E-02f64) * X + 1.61156533367153E+00f64) * X - - 3.23248143316007E+01f64) * X + 4.12007318109157E+02f64) * X - - 3.02260070158372E+03f64) * X + 9.71575094154768E+03f64) * E + W55 * WW1; + - 1.63960915431080E-05f64) + * X + + 1.15791154612838E-03f64) + * X + - 5.30573476742071E-02f64) + * X + + 1.61156533367153E+00f64) + * X + - 3.23248143316007E+01f64) + * X + + 4.12007318109157E+02f64) + * X + - 3.02260070158372E+03f64) + * X + + 9.71575094154768E+03f64) + * E + + W55 * WW1; WW4 = (((((((((-2.40799435809950E-08f64 * X + 8.12621667601546E-06f64) * X - - 9.04491430884113E-04f64) * X + 6.37686375770059E-02f64) * X - - 2.96135703135647E+00f64) * X + 9.15142356996330E+01f64) * X - - 1.86971865249111E+03f64) * X + 2.42945528916947E+04f64) * X - - 1.81852473229081E+05f64) * X + 5.96854758661427E+05f64) * E + W45 * WW1; + - 9.04491430884113E-04f64) + * X + + 6.37686375770059E-02f64) + * X + - 2.96135703135647E+00f64) + * X + + 9.15142356996330E+01f64) + * X + - 1.86971865249111E+03f64) + * X + + 2.42945528916947E+04f64) + * X + - 1.81852473229081E+05f64) + * X + + 5.96854758661427E+05f64) + * E + + W45 * WW1; WW3 = ((((((((1.83574464457207E-05f64 * X - 1.54837969489927E-03f64) * X - + 1.18520453711586E-01f64) * X - 6.69649981309161E+00f64) * X - + 2.44789386487321E+02f64) * X - 5.68832664556359E+03f64) * X - + 8.14507604229357E+04f64) * X - 6.55181056671474E+05f64) * X - + 2.26410896607237E+06f64) * E + W35 * WW1; + + 1.18520453711586E-01f64) + * X + - 6.69649981309161E+00f64) + * X + + 2.44789386487321E+02f64) + * X + - 5.68832664556359E+03f64) + * X + + 8.14507604229357E+04f64) + * X + - 6.55181056671474E+05f64) + * X + + 2.26410896607237E+06f64) + * E + + W35 * WW1; WW2 = ((((((((2.77778345870650E-05f64 * X - 2.22835017655890E-03f64) * X - + 1.61077633475573E-01f64) * X - 8.96743743396132E+00f64) * X - + 3.28062687293374E+02f64) * X - 7.65722701219557E+03f64) * X - + 1.10255055017664E+05f64) * X - 8.92528122219324E+05f64) * X - + 3.10638627744347E+06f64) * E + W25 * WW1; + + 1.61077633475573E-01f64) + * X + - 8.96743743396132E+00f64) + * X + + 3.28062687293374E+02f64) + * X + - 7.65722701219557E+03f64) + * X + + 1.10255055017664E+05f64) + * X + - 8.92528122219324E+05f64) + * X + + 3.10638627744347E+06f64) + * E + + W25 * WW1; WW1 = WW1 - 0.01962E+00f64 * E - WW2 - WW3 - WW4 - WW5; } else if X < 59.0f64 { WW1 = sqrt(0.78539816339744827900f64 / X); XXX = X * X * X; E = XXX * exp(-X); RT1 = (((-2.43758528330205E-02f64 * X + 2.07301567989771E+00f64) * X - - 6.45964225381113E+01f64) * X + 7.14160088655470E+02f64) * E + - 6.45964225381113E+01f64) + * X + + 7.14160088655470E+02f64) + * E + R15 / (X - R15); RT2 = (((-2.28861955413636E-01f64 * X + 1.93190784733691E+01f64) * X - - 5.99774730340912E+02f64) * X + 6.61844165304871E+03f64) * E + - 5.99774730340912E+02f64) + * X + + 6.61844165304871E+03f64) + * E + R25 / (X - R25); RT3 = (((-6.95053039285586E-01f64 * X + 5.76874090316016E+01f64) * X - - 1.77704143225520E+03f64) * X + 1.95366082947811E+04f64) * E + - 1.77704143225520E+03f64) + * X + + 1.95366082947811E+04f64) + * E + R35 / (X - R35); RT4 = (((-1.58072809087018E+00f64 * X + 1.27050801091948E+02f64) * X - - 3.86687350914280E+03f64) * X + 4.23024828121420E+04f64) * E + - 3.86687350914280E+03f64) + * X + + 4.23024828121420E+04f64) + * E + R45 / (X - R45); RT5 = (((-3.33963830405396E+00f64 * X + 2.51830424600204E+02f64) * X - - 7.57728527654961E+03f64) * X + 8.21966816595690E+04f64) * E + - 7.57728527654961E+03f64) + * X + + 8.21966816595690E+04f64) + * E + R55 / (X - R55); E = XXX * E; WW5 = ((1.35482430510942E-08f64 * X - 3.27722199212781E-07f64) * X - + 2.41522703684296E-06f64) * E + W55 * WW1; + + 2.41522703684296E-06f64) + * E + + W55 * WW1; WW4 = ((1.23464092261605E-06f64 * X - 3.55224564275590E-05f64) * X - + 3.03274662192286E-04f64) * E + W45 * WW1; + + 3.03274662192286E-04f64) + * E + + W45 * WW1; WW3 = ((1.34547929260279E-05f64 * X - 4.19389884772726E-04f64) * X - + 3.87706687610809E-03f64) * E + W35 * WW1; + + 3.87706687610809E-03f64) + * E + + W35 * WW1; WW2 = ((2.09539509123135E-05f64 * X - 6.87646614786982E-04f64) * X - + 6.68743788585688E-03f64) * E + W25 * WW1; + + 6.68743788585688E-03f64) + * E + + W25 * WW1; WW1 = WW1 - WW2 - WW3 - WW4 - WW5; } else { WW1 = sqrt(0.78539816339744827900f64 / X); @@ -5381,11 +7096,7 @@ unsafe extern "C" fn rys_root5( *weights.offset(4 as isize) = WW5; return 0 as i32; } -unsafe extern "C" fn R_dsmit( - mut cs: *mut f64, - mut fmt_ints: *mut f64, - mut n: i32, -) -> i32 { +unsafe extern "C" fn R_dsmit(mut cs: *mut f64, mut fmt_ints: *mut f64, mut n: i32) -> i32 { let mut i: i32 = 0; let mut j: i32 = 0; let mut k: i32 = 0; @@ -5393,12 +7104,13 @@ unsafe extern "C" fn R_dsmit( let mut dot: f64 = 0.; let mut tmp: f64 = 0.; let mut v: [f64; 32] = [0.; 32]; - fac = -*fmt_ints.offset(1 as isize) - / *fmt_ints.offset(0 as isize); - tmp = *fmt_ints.offset(2 as isize) - + fac * *fmt_ints.offset(1 as isize); + fac = -*fmt_ints.offset(1 as isize) / *fmt_ints.offset(0 as isize); + tmp = *fmt_ints.offset(2 as isize) + fac * *fmt_ints.offset(1 as isize); if tmp <= 0 as f64 { - eprintln!("libcint::rys_roots negative value in sqrt for roots {} (j=1)", n - 1); + eprintln!( + "libcint::rys_roots negative value in sqrt for roots {} (j=1)", + n - 1 + ); k = 1 as i32; while k < n { i = 0 as i32; @@ -5413,11 +7125,7 @@ unsafe extern "C" fn R_dsmit( return 1 as i32; } tmp = 1 as f64 / sqrt(tmp); - *cs - .offset( - (0 as i32 + 0 as i32 * n) as isize, - ) = 1 as f64 - / sqrt(*fmt_ints.offset(0 as isize)); + *cs.offset((0 as i32 + 0 as i32 * n) as isize) = 1 as f64 / sqrt(*fmt_ints.offset(0 as isize)); *cs.offset((0 as i32 + 1 as i32 * n) as isize) = fac * tmp; *cs.offset((1 as i32 + 1 as i32 * n) as isize) = tmp; j = 2 as i32; @@ -5434,9 +7142,7 @@ unsafe extern "C" fn R_dsmit( dot = 0 as f64; i = 0 as i32; while i <= k { - dot - += *cs.offset((i + k * n) as isize) - * *fmt_ints.offset((i + j) as isize); + dot += *cs.offset((i + k * n) as isize) * *fmt_ints.offset((i + j) as isize); i += 1; i; } @@ -5455,10 +7161,7 @@ unsafe extern "C" fn R_dsmit( while k < n { i = 0 as i32; while i < n { - *cs - .offset( - (i + k * n) as isize, - ) = 0 as f64; + *cs.offset((i + k * n) as isize) = 0 as f64; i += 1; i; } @@ -5468,7 +7171,11 @@ unsafe extern "C" fn R_dsmit( if fac == 0 as f64 { return 0 as i32; } - eprintln!("libcint::rys_roots negative value in sqrt for roots {} (j={})", n-1, j); + eprintln!( + "libcint::rys_roots negative value in sqrt for roots {} (j={})", + n - 1, + j + ); return j; } fac = 1 as f64 / sqrt(fac); @@ -5501,8 +7208,7 @@ unsafe extern "C" fn _rdk_rys_roots( let mut root: f64 = 0.; let mut poly: f64 = 0.; let mut dum: f64 = 0.; - if *fmt_ints.offset(0 as isize) == 0 as f64 - { + if *fmt_ints.offset(0 as isize) == 0 as f64 { k = 0 as i32; while k < nroots { *roots.offset(k as isize) = 0 as f64; @@ -5513,16 +7219,9 @@ unsafe extern "C" fn _rdk_rys_roots( return 0 as i32; } if nroots == 1 as i32 { - *roots - .offset( - 0 as isize, - ) = *fmt_ints.offset(1 as isize) - / (*fmt_ints.offset(0 as isize) - - *fmt_ints.offset(1 as isize)); - *weights - .offset( - 0 as isize, - ) = *fmt_ints.offset(0 as isize); + *roots.offset(0 as isize) = *fmt_ints.offset(1 as isize) + / (*fmt_ints.offset(0 as isize) - *fmt_ints.offset(1 as isize)); + *weights.offset(0 as isize) = *fmt_ints.offset(0 as isize); return 0 as i32; } let mut error: i32 = R_dsmit(cs, fmt_ints, nroots1); @@ -5540,8 +7239,7 @@ unsafe extern "C" fn _rdk_rys_roots( *roots.offset(k as isize) = 0 as f64; *weights.offset(k as isize) = 0 as f64; } else { - dum = 1 as f64 - / *fmt_ints.offset(0 as isize); + dum = 1 as f64 / *fmt_ints.offset(0 as isize); j = 1 as i32; while j < nroots { order = j; @@ -5557,8 +7255,7 @@ unsafe extern "C" fn _rdk_rys_roots( j += 1; j; } - *roots - .offset(k as isize) = root / (1 as f64 - root); + *roots.offset(k as isize) = root / (1 as f64 - root); *weights.offset(k as isize) = 1 as f64 / dum; } k += 1; @@ -5582,11 +7279,7 @@ pub unsafe extern "C" fn CINTrys_schmidt( } return _rdk_rys_roots(nroots, fmt_ints.as_mut_ptr(), roots, weights); } -unsafe extern "C" fn R_lsmit( - mut cs: *mut f64, - mut fmt_ints: *mut f64, - mut n: i32, -) -> i32 { +unsafe extern "C" fn R_lsmit(mut cs: *mut f64, mut fmt_ints: *mut f64, mut n: i32) -> i32 { let mut i: i32 = 0; let mut j: i32 = 0; let mut k: i32 = 0; @@ -5594,12 +7287,13 @@ unsafe extern "C" fn R_lsmit( let mut dot: f64 = 0.0f64; let mut tmp: f64 = 0.0f64; let mut v: [f64; 32] = [0.0f64; 32]; - fac = -*fmt_ints.offset(1 as isize) - / *fmt_ints.offset(0 as isize); - tmp = *fmt_ints.offset(2 as isize) - + fac * *fmt_ints.offset(1 as isize); + fac = -*fmt_ints.offset(1 as isize) / *fmt_ints.offset(0 as isize); + tmp = *fmt_ints.offset(2 as isize) + fac * *fmt_ints.offset(1 as isize); if tmp <= 0.0f64 { - eprintln!("libcint::rys_roots negative value in sqrtl for roots {} (j=1)", n - 1); + eprintln!( + "libcint::rys_roots negative value in sqrtl for roots {} (j=1)", + n - 1 + ); k = 1 as i32; while k < n { i = 0 as i32; @@ -5614,11 +7308,7 @@ unsafe extern "C" fn R_lsmit( return 1 as i32; } tmp = 1.0f64 / sqrtl(tmp); - *cs - .offset( - (0 as i32 + 0 as i32 * n) as isize, - ) = 1.0f64 - / sqrtl(*fmt_ints.offset(0 as isize)); + *cs.offset((0 as i32 + 0 as i32 * n) as isize) = 1.0f64 / sqrtl(*fmt_ints.offset(0 as isize)); *cs.offset((0 as i32 + 1 as i32 * n) as isize) = fac * tmp; *cs.offset((1 as i32 + 1 as i32 * n) as isize) = tmp; j = 2 as i32; @@ -5635,9 +7325,7 @@ unsafe extern "C" fn R_lsmit( dot = 0.0f64; i = 0 as i32; while i <= k { - dot - += *cs.offset((i + k * n) as isize) - * *fmt_ints.offset((i + j) as isize); + dot += *cs.offset((i + k * n) as isize) * *fmt_ints.offset((i + j) as isize); i += 1; i; } @@ -5666,7 +7354,11 @@ unsafe extern "C" fn R_lsmit( if fac == 0.0f64 { return 0 as i32; } - eprintln!("libcint::rys_roots negative value in sqrtl for roots {} (j={})", n - 1, j); + eprintln!( + "libcint::rys_roots negative value in sqrtl for roots {} (j={})", + n - 1, + j + ); return j; } fac = 1.0f64 / sqrtl(fac); @@ -5697,9 +7389,7 @@ pub unsafe extern "C" fn CINTlrys_schmidt( let mut error: i32 = 0; let mut nroots1: i32 = nroots + 1 as i32; let mut fmt_ints: [f64; 1088] = [0.0f64; 1088]; - let mut qcs: *mut f64 = fmt_ints - .as_mut_ptr() - .offset((nroots1 * 2 as i32) as isize); + let mut qcs: *mut f64 = fmt_ints.as_mut_ptr().offset((nroots1 * 2 as i32) as isize); let mut rt: [f64; 1056] = [0.; 1056]; let mut cs: *mut f64 = rt.as_mut_ptr().offset(nroots as isize); let mut a: *mut f64 = 0 as *mut f64; @@ -5708,16 +7398,12 @@ pub unsafe extern "C" fn CINTlrys_schmidt( let mut dum: f64 = 0.; let mut dum0: f64 = 0.; if lower == 0 as f64 { - lgamma_inc_like( - fmt_ints.as_mut_ptr(), - x as f64, - nroots * 2 as i32, - ); + lgamma_inc_like(fmt_ints.as_mut_ptr(), x as f64, nroots * 2 as i32); } else { fmt_lerfc_like( fmt_ints.as_mut_ptr(), x as f64, - lower as f64, + lower as f64, nroots * 2 as i32, ); } @@ -5732,9 +7418,7 @@ pub unsafe extern "C" fn CINTlrys_schmidt( return 0 as i32; } if nroots == 1 as i32 { - rt[0 as i32 - as usize] = fmt_ints[1 as usize] - / fmt_ints[0 as usize]; + rt[0 as i32 as usize] = fmt_ints[1 as usize] / fmt_ints[0 as usize]; } else { error = R_lsmit(qcs, fmt_ints.as_mut_ptr(), nroots1); if error != 0 { @@ -5744,10 +7428,7 @@ pub unsafe extern "C" fn CINTlrys_schmidt( while k < nroots1 { i = 0 as i32; while i <= k { - *cs - .offset( - (k * nroots1 + i) as isize, - ) = *qcs.offset((k * nroots1 + i) as isize); + *cs.offset((k * nroots1 + i) as isize) = *qcs.offset((k * nroots1 + i) as isize); i += 1; i; } @@ -5783,8 +7464,7 @@ pub unsafe extern "C" fn CINTlrys_schmidt( j += 1; j; } - *roots - .offset(k as isize) = root / (1 as f64 - root); + *roots.offset(k as isize) = root / (1 as f64 - root); *weights.offset(k as isize) = 1 as f64 / dum; } k += 1; diff --git a/src/rys_wheeler.rs b/src/rys_wheeler.rs index e4b1ca7..e48082a 100644 --- a/src/rys_wheeler.rs +++ b/src/rys_wheeler.rs @@ -1,8 +1,17 @@ -#![allow(path_statements, dead_code, mutable_transmutes, non_camel_case_types, non_snake_case, non_upper_case_globals, unused_assignments, unused_mut)] +#![allow( + path_statements, + dead_code, + mutable_transmutes, + non_camel_case_types, + non_snake_case, + non_upper_case_globals, + unused_assignments, + unused_mut +)] -use crate::fmt::fmt_lerfc_like; -use crate::fmt::fmt_erfc_like; use crate::eigh::_CINTdiagonalize; +use crate::fmt::fmt_erfc_like; +use crate::fmt::fmt_lerfc_like; extern "C" { fn expl(_: f64) -> f64; @@ -2932,2086 +2941,255 @@ static mut lJACOBI_COEF: [f64; 1176] = [ 1.0f64, ]; static mut JACOBI_COEF_ORDER: [i32; 2080] = [ - 0 as i32, - 0 as i32, - 1 as i32, - 0 as i32, - 1 as i32, - 2 as i32, - 0 as i32, - 1 as i32, - 3 as i32, - 2 as i32, - 0 as i32, - 1 as i32, - 4 as i32, - 2 as i32, - 3 as i32, - 0 as i32, - 1 as i32, - 2 as i32, - 5 as i32, - 3 as i32, - 4 as i32, - 0 as i32, - 1 as i32, - 2 as i32, - 6 as i32, - 3 as i32, - 5 as i32, - 4 as i32, - 0 as i32, - 1 as i32, - 2 as i32, - 3 as i32, - 7 as i32, - 4 as i32, - 6 as i32, - 5 as i32, - 0 as i32, - 1 as i32, - 2 as i32, - 3 as i32, - 8 as i32, - 4 as i32, - 7 as i32, - 5 as i32, - 6 as i32, - 0 as i32, - 1 as i32, - 2 as i32, - 3 as i32, - 9 as i32, - 4 as i32, - 8 as i32, - 5 as i32, - 6 as i32, - 7 as i32, - 0 as i32, - 1 as i32, - 2 as i32, - 3 as i32, - 4 as i32, - 10 as i32, - 5 as i32, - 9 as i32, - 6 as i32, - 8 as i32, - 7 as i32, - 0 as i32, - 1 as i32, - 2 as i32, - 3 as i32, - 4 as i32, - 11 as i32, - 5 as i32, - 10 as i32, - 6 as i32, - 9 as i32, - 7 as i32, - 8 as i32, - 0 as i32, - 1 as i32, - 2 as i32, - 3 as i32, - 4 as i32, - 12 as i32, - 5 as i32, - 6 as i32, - 11 as i32, - 7 as i32, - 10 as i32, - 8 as i32, - 9 as i32, - 0 as i32, - 1 as i32, - 2 as i32, - 3 as i32, - 4 as i32, - 5 as i32, - 13 as i32, - 6 as i32, - 12 as i32, - 7 as i32, - 11 as i32, - 8 as i32, - 10 as i32, - 9 as i32, - 0 as i32, - 1 as i32, - 2 as i32, - 3 as i32, - 4 as i32, - 5 as i32, - 14 as i32, - 6 as i32, - 13 as i32, - 7 as i32, - 8 as i32, - 12 as i32, - 9 as i32, - 11 as i32, - 10 as i32, - 0 as i32, - 1 as i32, - 2 as i32, - 3 as i32, - 4 as i32, - 5 as i32, - 15 as i32, - 6 as i32, - 7 as i32, - 14 as i32, - 8 as i32, - 13 as i32, - 9 as i32, - 12 as i32, - 10 as i32, - 11 as i32, - 0 as i32, - 1 as i32, - 2 as i32, - 3 as i32, - 4 as i32, - 5 as i32, - 6 as i32, - 16 as i32, - 7 as i32, - 15 as i32, - 8 as i32, - 14 as i32, - 9 as i32, - 13 as i32, - 10 as i32, - 12 as i32, - 11 as i32, - 0 as i32, - 1 as i32, - 2 as i32, - 3 as i32, - 4 as i32, - 5 as i32, - 6 as i32, - 17 as i32, - 7 as i32, - 16 as i32, - 8 as i32, - 9 as i32, - 15 as i32, - 10 as i32, - 14 as i32, - 11 as i32, - 13 as i32, - 12 as i32, - 0 as i32, - 1 as i32, - 2 as i32, - 3 as i32, - 4 as i32, - 5 as i32, - 6 as i32, - 18 as i32, - 7 as i32, - 8 as i32, - 17 as i32, - 9 as i32, - 16 as i32, - 10 as i32, - 15 as i32, - 11 as i32, - 14 as i32, - 12 as i32, - 13 as i32, - 0 as i32, - 1 as i32, - 2 as i32, - 3 as i32, - 4 as i32, - 5 as i32, - 6 as i32, - 7 as i32, - 19 as i32, - 8 as i32, - 18 as i32, - 9 as i32, - 17 as i32, - 10 as i32, - 11 as i32, - 16 as i32, - 12 as i32, - 15 as i32, - 13 as i32, - 14 as i32, - 0 as i32, - 1 as i32, - 2 as i32, - 3 as i32, - 4 as i32, - 5 as i32, - 6 as i32, - 7 as i32, - 20 as i32, - 8 as i32, - 9 as i32, - 19 as i32, - 10 as i32, - 18 as i32, - 11 as i32, - 17 as i32, - 12 as i32, - 16 as i32, - 13 as i32, - 15 as i32, - 14 as i32, - 0 as i32, - 1 as i32, - 2 as i32, - 3 as i32, - 4 as i32, - 5 as i32, - 6 as i32, - 7 as i32, - 21 as i32, - 8 as i32, - 9 as i32, - 20 as i32, - 10 as i32, - 19 as i32, - 11 as i32, - 18 as i32, - 12 as i32, - 17 as i32, - 13 as i32, - 14 as i32, - 16 as i32, - 15 as i32, - 0 as i32, - 1 as i32, - 2 as i32, - 3 as i32, - 4 as i32, - 5 as i32, - 6 as i32, - 7 as i32, - 8 as i32, - 22 as i32, - 9 as i32, - 21 as i32, - 10 as i32, - 11 as i32, - 20 as i32, - 12 as i32, - 19 as i32, - 13 as i32, - 18 as i32, - 14 as i32, - 17 as i32, - 15 as i32, - 16 as i32, - 0 as i32, - 1 as i32, - 2 as i32, - 3 as i32, - 4 as i32, - 5 as i32, - 6 as i32, - 7 as i32, - 8 as i32, - 23 as i32, - 9 as i32, - 10 as i32, - 22 as i32, - 11 as i32, - 21 as i32, - 12 as i32, - 20 as i32, - 13 as i32, - 19 as i32, - 14 as i32, - 18 as i32, - 15 as i32, - 17 as i32, - 16 as i32, - 0 as i32, - 1 as i32, - 2 as i32, - 3 as i32, - 4 as i32, - 5 as i32, - 6 as i32, - 7 as i32, - 8 as i32, - 24 as i32, - 9 as i32, - 10 as i32, - 23 as i32, - 11 as i32, - 22 as i32, - 12 as i32, - 21 as i32, - 13 as i32, - 14 as i32, - 20 as i32, - 15 as i32, - 19 as i32, - 16 as i32, - 18 as i32, - 17 as i32, - 0 as i32, - 1 as i32, - 2 as i32, - 3 as i32, - 4 as i32, - 5 as i32, - 6 as i32, - 7 as i32, - 8 as i32, - 9 as i32, - 25 as i32, - 10 as i32, - 24 as i32, - 11 as i32, - 12 as i32, - 23 as i32, - 13 as i32, - 22 as i32, - 14 as i32, - 21 as i32, - 15 as i32, - 20 as i32, - 16 as i32, - 19 as i32, - 17 as i32, - 18 as i32, - 0 as i32, - 1 as i32, - 2 as i32, - 3 as i32, - 4 as i32, - 5 as i32, - 6 as i32, - 7 as i32, - 8 as i32, - 9 as i32, - 26 as i32, - 10 as i32, - 11 as i32, - 25 as i32, - 12 as i32, - 24 as i32, - 13 as i32, - 23 as i32, - 14 as i32, - 22 as i32, - 15 as i32, - 16 as i32, - 21 as i32, - 17 as i32, - 20 as i32, - 18 as i32, - 19 as i32, - 0 as i32, - 1 as i32, - 2 as i32, - 3 as i32, - 4 as i32, - 5 as i32, - 6 as i32, - 7 as i32, - 8 as i32, - 9 as i32, - 27 as i32, - 10 as i32, - 11 as i32, - 26 as i32, - 12 as i32, - 25 as i32, - 13 as i32, - 14 as i32, - 24 as i32, - 15 as i32, - 23 as i32, - 16 as i32, - 22 as i32, - 17 as i32, - 21 as i32, - 18 as i32, - 20 as i32, - 19 as i32, - 0 as i32, - 1 as i32, - 2 as i32, - 3 as i32, - 4 as i32, - 5 as i32, - 6 as i32, - 7 as i32, - 8 as i32, - 9 as i32, - 10 as i32, - 28 as i32, - 11 as i32, - 27 as i32, - 12 as i32, - 13 as i32, - 26 as i32, - 14 as i32, - 25 as i32, - 15 as i32, - 24 as i32, - 16 as i32, - 23 as i32, - 17 as i32, - 22 as i32, - 18 as i32, - 21 as i32, - 19 as i32, - 20 as i32, - 0 as i32, - 1 as i32, - 2 as i32, - 3 as i32, - 4 as i32, - 5 as i32, - 6 as i32, - 7 as i32, - 8 as i32, - 9 as i32, - 10 as i32, - 29 as i32, - 11 as i32, - 12 as i32, - 28 as i32, - 13 as i32, - 27 as i32, - 14 as i32, - 26 as i32, - 15 as i32, - 16 as i32, - 25 as i32, - 17 as i32, - 24 as i32, - 18 as i32, - 23 as i32, - 19 as i32, - 22 as i32, - 20 as i32, - 21 as i32, - 0 as i32, - 1 as i32, - 2 as i32, - 3 as i32, - 4 as i32, - 5 as i32, - 6 as i32, - 7 as i32, - 8 as i32, - 9 as i32, - 10 as i32, - 30 as i32, - 11 as i32, - 12 as i32, - 29 as i32, - 13 as i32, - 28 as i32, - 14 as i32, - 15 as i32, - 27 as i32, - 16 as i32, - 26 as i32, - 17 as i32, - 25 as i32, - 18 as i32, - 24 as i32, - 19 as i32, - 23 as i32, - 20 as i32, - 22 as i32, - 21 as i32, - 0 as i32, - 1 as i32, - 2 as i32, - 3 as i32, - 4 as i32, - 5 as i32, - 6 as i32, - 7 as i32, - 8 as i32, - 9 as i32, - 10 as i32, - 11 as i32, - 31 as i32, - 12 as i32, - 30 as i32, - 13 as i32, - 14 as i32, - 29 as i32, - 15 as i32, - 28 as i32, - 16 as i32, - 27 as i32, - 17 as i32, - 26 as i32, - 18 as i32, - 19 as i32, - 25 as i32, - 20 as i32, - 24 as i32, - 21 as i32, - 23 as i32, - 22 as i32, - 0 as i32, - 1 as i32, - 2 as i32, - 3 as i32, - 4 as i32, - 5 as i32, - 6 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as i32, 13 as i32, 14 as i32, 15 as i32, + 16 as i32, 17 as i32, 18 as i32, 19 as i32, 20 as i32, 21 as i32, 22 as i32, 63 as i32, + 23 as i32, 62 as i32, 24 as i32, 25 as i32, 61 as i32, 26 as i32, 27 as i32, 60 as i32, + 28 as i32, 59 as i32, 29 as i32, 58 as i32, 30 as i32, 31 as i32, 57 as i32, 32 as i32, + 56 as i32, 33 as i32, 55 as i32, 34 as i32, 54 as i32, 35 as i32, 53 as i32, 36 as i32, + 37 as i32, 52 as i32, 38 as i32, 51 as i32, 39 as i32, 50 as i32, 40 as i32, 49 as i32, + 41 as i32, 48 as i32, 42 as i32, 47 as i32, 43 as i32, 46 as i32, 44 as i32, 45 as i32, ]; unsafe extern "C" fn laguerre_moments( mut n: i32, @@ -5034,26 +3212,15 @@ unsafe extern "C" fn laguerre_moments( *alpha.offset(0 as isize) = t_inv; *beta.offset(0 as isize) = 0 as f64; if lower == 0 as f64 { - *moments - .offset( - 0 as isize, - ) = 0.8862269254527580136490837416705725913987747280611935641069038949264f64 - / tt * erf(tt); + *moments.offset(0 as isize) = + 0.8862269254527580136490837416705725913987747280611935641069038949264f64 / tt * erf(tt); *moments.offset(1 as isize) = -l01 * e0; i = 1 as i32; while i < n - 1 as i32 { - *alpha - .offset( - i as isize, - ) = (i * 4 as i32 + 1 as i32) as f64 * t_inv; - *beta - .offset( - i as isize, - ) = (i * (i * 2 as i32 - 1 as i32)) as f64 - * t2_inv; + *alpha.offset(i as isize) = (i * 4 as i32 + 1 as i32) as f64 * t_inv; + *beta.offset(i as isize) = (i * (i * 2 as i32 - 1 as i32)) as f64 * t2_inv; fac0 = (i * 4 as i32 - 1 as i32) as f64 * t_inv; - fac1 = ((i - 1 as i32) * (i * 2 as i32 - 1 as i32)) - as f64 * t2_inv; + fac1 = ((i - 1 as i32) * (i * 2 as i32 - 1 as i32)) as f64 * t2_inv; l02 = (1.0f64 - fac0) * l01 - fac1 * l00; l00 = l01; l01 = l02; @@ -5067,26 +3234,16 @@ unsafe extern "C" fn laguerre_moments( let mut l11: f64 = 1.0f64; let mut l12: f64 = 0.; let mut et: f64 = exp(-t * lower2) * lower * t_inv; - *moments - .offset( - 0 as isize, - ) = 0.8862269254527580136490837416705725913987747280611935641069038949264f64 - / tt * (erfc(lower * tt) - erfc(tt)); + *moments.offset(0 as isize) = + 0.8862269254527580136490837416705725913987747280611935641069038949264f64 / tt + * (erfc(lower * tt) - erfc(tt)); *moments.offset(1 as isize) = l11 * et - l01 * e0; i = 1 as i32; while i < n - 1 as i32 { - *alpha - .offset( - i as isize, - ) = (i * 4 as i32 + 1 as i32) as f64 * t_inv; - *beta - .offset( - i as isize, - ) = (i * (i * 2 as i32 - 1 as i32)) as f64 - * t2_inv; + *alpha.offset(i as isize) = (i * 4 as i32 + 1 as i32) as f64 * t_inv; + *beta.offset(i as isize) = (i * (i * 2 as i32 - 1 as i32)) as f64 * t2_inv; fac0 = (i * 4 as i32 - 1 as i32) as f64 * t_inv; - fac1 = ((i - 1 as i32) * (i * 2 as i32 - 1 as i32)) - as f64 * t2_inv; + fac1 = ((i - 1 as i32) * (i * 2 as i32 - 1 as i32)) as f64 * t2_inv; l12 = (lower2 - fac0) * l11 - fac1 * l10; l10 = l11; l11 = l12; @@ -5134,11 +3291,7 @@ unsafe extern "C" fn naive_jacobi_moments( i; } } -unsafe extern "C" fn flocke_jacobi_moments( - mut n: i32, - mut t: f64, - mut mus: *mut f64, -) { +unsafe extern "C" fn flocke_jacobi_moments(mut n: i32, mut t: f64, mut mus: *mut f64) { if t < 3e-7f64 { return naive_jacobi_moments(n, t, 0.0f64, mus); } @@ -5150,8 +3303,7 @@ unsafe extern "C" fn flocke_jacobi_moments( let mut i: i32 = 0; i = n - 1 as i32 + 20 as i32; while i >= n { - rn = (2 as i32 * i + 3 as i32) as f64 * t_inv - + JACOBI_RN_PART2[i as usize]; + rn = (2 as i32 * i + 3 as i32) as f64 * t_inv + JACOBI_RN_PART2[i as usize]; mu0 = (mu2 - rn * mu1) / JACOBI_SN[i as usize]; mu2 = mu1; mu1 = mu0; @@ -5159,8 +3311,7 @@ unsafe extern "C" fn flocke_jacobi_moments( i; } while i >= 0 as i32 { - rn = (2 as i32 * i + 3 as i32) as f64 * t_inv - + JACOBI_RN_PART2[i as usize]; + rn = (2 as i32 * i + 3 as i32) as f64 * t_inv + JACOBI_RN_PART2[i as usize]; mu0 = (mu2 - rn * mu1) / JACOBI_SN[i as usize]; *mus.offset(i as isize) = mu0; mu2 = mu1; @@ -5170,7 +3321,9 @@ unsafe extern "C" fn flocke_jacobi_moments( } let mut tt: f64 = sqrt(t); let mut norm: f64 = 0.8862269254527580136490837416705725913987747280611935641069038949264f64 - * erf(tt) / tt / mu0; + * erf(tt) + / tt + / mu0; i = 0 as i32; while i < n { *mus.offset(i as isize) *= norm; @@ -5189,9 +3342,8 @@ unsafe extern "C" fn wheeler_recursion( let mut i: i32 = 0; let mut j: i32 = 0; let mut nc: i32 = 0; - let mut a0: f64 = *alpha.offset(0 as isize) - + *moments.offset(1 as isize) - / *moments.offset(0 as isize); + let mut a0: f64 = + *alpha.offset(0 as isize) + *moments.offset(1 as isize) / *moments.offset(0 as isize); let mut b0: f64 = 0 as f64; let mut a1: f64 = 0.; let mut b1: f64 = 0.; @@ -5200,9 +3352,7 @@ unsafe extern "C" fn wheeler_recursion( let mut buf: [f64; 128] = [0.; 128]; let mut s0: *mut f64 = moments; let mut sm: *mut f64 = buf.as_mut_ptr(); - let mut sk: *mut f64 = buf - .as_mut_ptr() - .offset((n * 2 as i32) as isize); + let mut sk: *mut f64 = buf.as_mut_ptr().offset((n * 2 as i32) as isize); let mut swap: *mut f64 = 0 as *mut f64; i = 2 as i32; while i < n * 2 as i32 { @@ -5215,24 +3365,16 @@ unsafe extern "C" fn wheeler_recursion( nc = 2 as i32 * (n - i); j = 0 as i32; while j < nc { - *sk - .offset( - j as isize, - ) = *s0.offset((2 as i32 + j) as isize) - - (a0 - *alpha.offset((i + j) as isize)) - * *s0.offset((1 as i32 + j) as isize) + *sk.offset(j as isize) = *s0.offset((2 as i32 + j) as isize) + - (a0 - *alpha.offset((i + j) as isize)) * *s0.offset((1 as i32 + j) as isize) - b0 * *sm.offset((2 as i32 + j) as isize) + *beta.offset((i + j) as isize) * *s0.offset(j as isize); j += 1; j; } - a1 = *alpha.offset(i as isize) - - *s0.offset(1 as isize) - / *s0.offset(0 as isize) - + *sk.offset(1 as isize) - / *sk.offset(0 as isize); - b1 = *sk.offset(0 as isize) - / *s0.offset(0 as isize); + a1 = *alpha.offset(i as isize) - *s0.offset(1 as isize) / *s0.offset(0 as isize) + + *sk.offset(1 as isize) / *sk.offset(0 as isize); + b1 = *sk.offset(0 as isize) / *s0.offset(0 as isize); *a.offset(i as isize) = a1; *b.offset(i as isize) = b1; a0 = a1; @@ -5264,7 +3406,12 @@ unsafe extern "C" fn rys_wheeler_partial( while i < n { if *b.offset(i as isize) < 1e-14f64 { if first_seen == 0 || *b.offset(i as isize) < 0.0f64 { - eprintln!("libcint rys_wheeler singular value n={} i={} b={}", n, i, *b.offset(i as isize)); + eprintln!( + "libcint rys_wheeler singular value n={} i={} b={}", + n, + i, + *b.offset(i as isize) + ); i = 0 as i32; while i < n { *roots.offset(i as isize) = 0 as f64; @@ -5280,24 +3427,13 @@ unsafe extern "C" fn rys_wheeler_partial( i += 1; i; } - let mut error: i32 = _CINTdiagonalize( - n, - a.as_mut_ptr(), - b.offset(1 as isize), - roots, - c0, - ); + let mut error: i32 = _CINTdiagonalize(n, a.as_mut_ptr(), b.offset(1 as isize), roots, c0); i = 0 as i32; while i < n { - *roots - .offset( - i as isize, - ) = *roots.offset(i as isize) - / (1 as f64 - *roots.offset(i as isize)); - *weights - .offset( - i as isize, - ) = *c0.offset((i * n) as isize) * *c0.offset((i * n) as isize) * mu0; + *roots.offset(i as isize) = + *roots.offset(i as isize) / (1 as f64 - *roots.offset(i as isize)); + *weights.offset(i as isize) = + *c0.offset((i * n) as isize) * *c0.offset((i * n) as isize) * mu0; i += 1; i; } @@ -5324,27 +3460,15 @@ unsafe extern "C" fn llaguerre_moments( *alpha.offset(0 as isize) = t_inv; *beta.offset(0 as isize) = 0.0f64; if lower == 0 as f64 { - *moments - .offset( - 0 as isize, - ) = - 0.8862269254527580136490837416705725913987747280611935641069038949264 - / tt * erfl(tt); + *moments.offset(0 as isize) = + 0.8862269254527580136490837416705725913987747280611935641069038949264 / tt * erfl(tt); *moments.offset(1 as isize) = -l01 * e0; i = 1 as i32; while i < n - 1 as i32 { - *alpha - .offset( - i as isize, - ) = (i * 4 as i32 + 1 as i32) as f64 * t_inv; - *beta - .offset( - i as isize, - ) = (i * (i * 2 as i32 - 1 as i32)) as f64 - * t2_inv; + *alpha.offset(i as isize) = (i * 4 as i32 + 1 as i32) as f64 * t_inv; + *beta.offset(i as isize) = (i * (i * 2 as i32 - 1 as i32)) as f64 * t2_inv; fac0 = (i * 4 as i32 - 1 as i32) as f64 * t_inv; - fac1 = ((i - 1 as i32) * (i * 2 as i32 - 1 as i32)) as f64 - * t2_inv; + fac1 = ((i - 1 as i32) * (i * 2 as i32 - 1 as i32)) as f64 * t2_inv; l02 = (1.0f64 - fac0) * l01 - fac1 * l00; l00 = l01; l01 = l02; @@ -5357,29 +3481,17 @@ unsafe extern "C" fn llaguerre_moments( let mut l10: f64 = 0.0f64; let mut l11: f64 = 1.0f64; let mut l12: f64 = 0.0f64; - let mut et: f64 = expl(-t * lower2) - * lower * t_inv; - *moments - .offset( - 0 as isize, - ) = - 0.8862269254527580136490837416705725913987747280611935641069038949264 - / tt * (erfcl(lower * tt) - erfcl(tt)); + let mut et: f64 = expl(-t * lower2) * lower * t_inv; + *moments.offset(0 as isize) = + 0.8862269254527580136490837416705725913987747280611935641069038949264 / tt + * (erfcl(lower * tt) - erfcl(tt)); *moments.offset(1 as isize) = l11 * et - l01 * e0; i = 1 as i32; while i < n - 1 as i32 { - *alpha - .offset( - i as isize, - ) = (i * 4 as i32 + 1 as i32) as f64 * t_inv; - *beta - .offset( - i as isize, - ) = (i * (i * 2 as i32 - 1 as i32)) as f64 - * t2_inv; - fac0 = (i * 4 as i32 - 1 as i32) as f64* t_inv; - fac1 = ((i - 1 as i32) * (i * 2 as i32 - 1 as i32)) as f64 - * t2_inv; + *alpha.offset(i as isize) = (i * 4 as i32 + 1 as i32) as f64 * t_inv; + *beta.offset(i as isize) = (i * (i * 2 as i32 - 1 as i32)) as f64 * t2_inv; + fac0 = (i * 4 as i32 - 1 as i32) as f64 * t_inv; + fac1 = ((i - 1 as i32) * (i * 2 as i32 - 1 as i32)) as f64 * t2_inv; l12 = (lower2 - fac0) * l11 - fac1 * l10; l10 = l11; l11 = l12; @@ -5405,12 +3517,7 @@ unsafe extern "C" fn lnaive_jacobi_moments( let mut fmt: [f64; 64] = [0.0f64; 64]; let mut coef: *mut f64 = 0 as *mut f64; let mut order: *mut i32 = 0 as *mut i32; - fmt_lerfc_like( - fmt.as_mut_ptr(), - t, - lower, - n - 1 as i32, - ); + fmt_lerfc_like(fmt.as_mut_ptr(), t, lower, n - 1 as i32); i = 0 as i32; while i < n { coef = lJACOBI_COEF @@ -5432,11 +3539,7 @@ unsafe extern "C" fn lnaive_jacobi_moments( i; } } -unsafe extern "C" fn lflocke_jacobi_moments( - mut n: i32, - mut t: f64, - mut mus: *mut f64, -) { +unsafe extern "C" fn lflocke_jacobi_moments(mut n: i32, mut t: f64, mut mus: *mut f64) { if t < 3e-7f64 { return lnaive_jacobi_moments(n, t, 0.0f64, mus); } @@ -5448,8 +3551,7 @@ unsafe extern "C" fn lflocke_jacobi_moments( let mut i: i32 = 0; i = n - 1 as i32 + 24 as i32; while i >= n { - rn = (2 as i32 * i + 3 as i32) as f64 * t_inv - + lJACOBI_RN_PART2[i as usize]; + rn = (2 as i32 * i + 3 as i32) as f64 * t_inv + lJACOBI_RN_PART2[i as usize]; mu0 = (mu2 - rn * mu1) / lJACOBI_SN[i as usize]; mu2 = mu1; mu1 = mu0; @@ -5457,8 +3559,7 @@ unsafe extern "C" fn lflocke_jacobi_moments( i; } while i >= 0 as i32 { - rn = (2 as i32 * i + 3 as i32) as f64* t_inv - + lJACOBI_RN_PART2[i as usize]; + rn = (2 as i32 * i + 3 as i32) as f64 * t_inv + lJACOBI_RN_PART2[i as usize]; mu0 = (mu2 - rn * mu1) / lJACOBI_SN[i as usize]; *mus.offset(i as isize) = mu0; mu2 = mu1; @@ -5467,9 +3568,8 @@ unsafe extern "C" fn lflocke_jacobi_moments( i; } let mut tt: f64 = sqrtl(t); - let mut norm: f64 = - 0.8862269254527580136490837416705725913987747280611935641069038949264 - * erfl(tt) / tt / mu0; + let mut norm: f64 = + 0.8862269254527580136490837416705725913987747280611935641069038949264 * erfl(tt) / tt / mu0; i = 0 as i32; while i < n { *mus.offset(i as isize) *= norm; @@ -5488,9 +3588,8 @@ unsafe extern "C" fn lwheeler_recursion( let mut i: i32 = 0; let mut j: i32 = 0; let mut nc: i32 = 0; - let mut a0: f64 = *alpha.offset(0 as isize) - + *moments.offset(1 as isize) - / *moments.offset(0 as isize); + let mut a0: f64 = + *alpha.offset(0 as isize) + *moments.offset(1 as isize) / *moments.offset(0 as isize); let mut b0: f64 = 0.0f64; let mut a1: f64 = 0.0f64; let mut b1: f64 = 0.0f64; @@ -5499,9 +3598,7 @@ unsafe extern "C" fn lwheeler_recursion( let mut buf: [f64; 128] = [0.0f64; 128]; let mut s0: *mut f64 = moments; let mut sm: *mut f64 = buf.as_mut_ptr(); - let mut sk: *mut f64 = buf - .as_mut_ptr() - .offset((n * 2 as i32) as isize); + let mut sk: *mut f64 = buf.as_mut_ptr().offset((n * 2 as i32) as isize); let mut swap: *mut f64 = 0 as *mut f64; i = 2 as i32; while i < n * 2 as i32 { @@ -5514,24 +3611,16 @@ unsafe extern "C" fn lwheeler_recursion( nc = 2 as i32 * (n - i); j = 0 as i32; while j < nc { - *sk - .offset( - j as isize, - ) = *s0.offset((2 as i32 + j) as isize) - - (a0 - *alpha.offset((i + j) as isize)) - * *s0.offset((1 as i32 + j) as isize) + *sk.offset(j as isize) = *s0.offset((2 as i32 + j) as isize) + - (a0 - *alpha.offset((i + j) as isize)) * *s0.offset((1 as i32 + j) as isize) - b0 * *sm.offset((2 as i32 + j) as isize) + *beta.offset((i + j) as isize) * *s0.offset(j as isize); j += 1; j; } - a1 = *alpha.offset(i as isize) - - *s0.offset(1 as isize) - / *s0.offset(0 as isize) - + *sk.offset(1 as isize) - / *sk.offset(0 as isize); - b1 = *sk.offset(0 as isize) - / *s0.offset(0 as isize); + a1 = *alpha.offset(i as isize) - *s0.offset(1 as isize) / *s0.offset(0 as isize) + + *sk.offset(1 as isize) / *sk.offset(0 as isize); + b1 = *sk.offset(0 as isize) / *s0.offset(0 as isize); *a.offset(i as isize) = a1; *b.offset(i as isize) = b1; a0 = a1; @@ -5566,7 +3655,12 @@ unsafe extern "C" fn lrys_wheeler_partial( while i < n { if *b.offset(i as isize) < 1e-19f64 { if first_seen == 0 || *b.offset(i as isize) < 0.0f64 { - eprintln!("libcint lrys_wheeler singular value n={} i={} b={}", n, i, *b.offset(i as isize)); + eprintln!( + "libcint lrys_wheeler singular value n={} i={} b={}", + n, + i, + *b.offset(i as isize) + ); i = 0 as i32; while i < n { *roots.offset(i as isize) = 0 as f64; @@ -5583,24 +3677,13 @@ unsafe extern "C" fn lrys_wheeler_partial( i += 1; i; } - let mut error: i32 = _CINTdiagonalize( - n, - da.as_mut_ptr(), - db.offset(1 as isize), - roots, - c0, - ); + let mut error: i32 = _CINTdiagonalize(n, da.as_mut_ptr(), db.offset(1 as isize), roots, c0); i = 0 as i32; while i < n { - *roots - .offset( - i as isize, - ) = *roots.offset(i as isize) - / (1 as f64 - *roots.offset(i as isize)); - *weights - .offset( - i as isize, - ) = *c0.offset((i * n) as isize) * *c0.offset((i * n) as isize) * mu0; + *roots.offset(i as isize) = + *roots.offset(i as isize) / (1 as f64 - *roots.offset(i as isize)); + *weights.offset(i as isize) = + *c0.offset((i * n) as isize) * *c0.offset((i * n) as isize) * mu0; i += 1; i; } @@ -5615,9 +3698,7 @@ pub unsafe extern "C" fn CINTrys_laguerre( mut weights: *mut f64, ) -> i32 { let mut moments: [f64; 192] = [0.; 192]; - let mut alpha: *mut f64 = moments - .as_mut_ptr() - .offset((n * 2 as i32) as isize); + let mut alpha: *mut f64 = moments.as_mut_ptr().offset((n * 2 as i32) as isize); let mut beta: *mut f64 = alpha.offset((n * 2 as i32) as isize); laguerre_moments(n * 2 as i32, x, lower, alpha, beta, moments.as_mut_ptr()); return rys_wheeler_partial(n, alpha, beta, moments.as_mut_ptr(), roots, weights); @@ -5649,9 +3730,7 @@ pub unsafe extern "C" fn CINTlrys_laguerre( mut weights: *mut f64, ) -> i32 { let mut moments: [f64; 192] = [0.0f64; 192]; - let mut alpha: *mut f64 = moments - .as_mut_ptr() - .offset((n * 2 as i32) as isize); + let mut alpha: *mut f64 = moments.as_mut_ptr().offset((n * 2 as i32) as isize); let mut beta: *mut f64 = alpha.offset((n * 2 as i32) as isize); llaguerre_moments(n * 2 as i32, x, lower, alpha, beta, moments.as_mut_ptr()); return lrys_wheeler_partial(n, alpha, beta, moments.as_mut_ptr(), roots, weights); diff --git a/src/scf.rs b/src/scf.rs index db1b62a..ce227c9 100644 --- a/src/scf.rs +++ b/src/scf.rs @@ -1,50 +1,47 @@ #![allow(non_snake_case, non_upper_case_globals, non_camel_case_types)] use crate::cint::CINTOpt; +use crate::cint1e::{cint1e_nuc_cart, cint1e_nuc_sph, cint1e_ovlp_cart, cint1e_ovlp_sph}; +use crate::cint2e::{cint2e_cart, cint2e_sph}; use crate::cint_bas::{CINTcgto_cart, CINTcgto_spheric}; -use crate::cint1e::{cint1e_ovlp_cart, cint1e_nuc_cart, cint1e_ovlp_sph, cint1e_nuc_sph}; use crate::intor1::{cint1e_kin_cart, cint1e_kin_sph}; -use crate::cint2e::{cint2e_cart, cint2e_sph}; -use crate::linalg::{matmult, dcopya, transpose, sort}; +use crate::linalg::{dcopya, matmult, sort, transpose}; -use faer::{mat, linalg::solvers::Eigendecomposition, complex_native::c64}; +use faer::{complex_native::c64, linalg::solvers::Eigendecomposition, mat}; pub const ATM_SLOTS: usize = 6; pub const BAS_SLOTS: usize = 8; -type inte = fn(buf: &mut [f64], shls: &mut [i32], - atm: &mut [i32], natm: i32, - bas: &mut [i32], nbas: i32, +type inte = fn( + buf: &mut [f64], + shls: &mut [i32], + atm: &mut [i32], + natm: i32, + bas: &mut [i32], + nbas: i32, env: &mut [f64], *mut CINTOpt, ) -> i32; -type cgto = fn(bas_id: usize, bas: &[i32],) -> i32; +type cgto = fn(bas_id: usize, bas: &[i32]) -> i32; #[no_mangle] -pub fn nmol( - atm: &Vec, - bas: &Vec, -) --> (usize, usize) { +pub fn nmol(atm: &Vec, bas: &Vec) -> (usize, usize) { let natm: usize = atm.len() / ATM_SLOTS; let nbas: usize = bas.len() / BAS_SLOTS; return (natm, nbas); } #[no_mangle] -pub fn angl( - bas: &Vec, - coord: i32, -) -> usize { +pub fn angl(bas: &Vec, coord: i32) -> usize { let mut nshells: usize = 0; for i in (0..bas.len()).step_by(BAS_SLOTS) { let l = bas[i + 1] as usize; if coord == 0 { nshells += (l + 1) * (l + 2) / 2; } else if coord == 1 { - nshells += 2*l + 1; + nshells += 2 * l + 1; } } return nshells; @@ -60,7 +57,7 @@ pub fn integral1e( ) -> Vec { let (natm, nbas) = nmol(atm, bas); let nshells = angl(bas, coord); - + let mut R = vec![0.0; nshells * nshells]; let mut buf: Vec; @@ -115,7 +112,16 @@ pub fn integral1e( buf = vec![0.0; di * dj]; - func(&mut buf, &mut shls, atm, natm as i32, bas, nbas as i32, env, std::ptr::null_mut()); + func( + &mut buf, + &mut shls, + atm, + natm as i32, + bas, + nbas as i32, + env, + std::ptr::null_mut(), + ); let mut c: usize = 0; for nuj in nu..(nu + dj) { for mui in mu..(mu + di) { @@ -128,7 +134,7 @@ pub fn integral1e( } mu += di; } - + return R; } @@ -184,21 +190,33 @@ pub fn integral2e( for k in 0..nbas { shls[2] = k as i32; dk = intcgto(k, &bas) as usize; - + lam = 0; for l in 0..nbas { shls[3] = l as i32; dl = intcgto(l, &bas) as usize; - + buf = vec![0.0; di * dj * dk * dl]; - - func(&mut buf, &mut shls, atm, natm as i32, bas, nbas as i32, env, std::ptr::null_mut()); + + func( + &mut buf, + &mut shls, + atm, + natm as i32, + bas, + nbas as i32, + env, + std::ptr::null_mut(), + ); let mut c: usize = 0; for laml in lam..(lam + dl) { for sigk in sig..(sig + dk) { for nuj in nu..(nu + dj) { for mui in mu..(mu + di) { - R[mui*nshells.pow(3) + nuj*nshells.pow(2) + sigk*nshells + laml] = buf[c]; + R[mui * nshells.pow(3) + + nuj * nshells.pow(2) + + sigk * nshells + + laml] = buf[c]; c += 1; } } @@ -248,7 +266,7 @@ fn integrals( mu = 0; for i in 0..nbas { - shls[0] = i as i32; + shls[0] = i as i32; di = CINTcgto_cart(i, &bas) as usize; nu = 0; @@ -260,7 +278,16 @@ fn integrals( buf = vec![0.0; di * dj]; - cint1e_ovlp_cart(&mut buf, &mut shls, atm, natm as i32, bas, nbas as i32, env, std::ptr::null_mut()); + cint1e_ovlp_cart( + &mut buf, + &mut shls, + atm, + natm as i32, + bas, + nbas as i32, + env, + std::ptr::null_mut(), + ); let mut c: usize = 0; for nuj in nu..(nu + dj) { for mui in mu..(mu + di) { @@ -269,7 +296,16 @@ fn integrals( } } - cint1e_kin_cart(&mut buf, &mut shls, atm, natm as i32, bas, nbas as i32, env, std::ptr::null_mut()); + cint1e_kin_cart( + &mut buf, + &mut shls, + atm, + natm as i32, + bas, + nbas as i32, + env, + std::ptr::null_mut(), + ); let mut c: usize = 0; for nuj in nu..(nu + dj) { for mui in mu..(mu + di) { @@ -278,7 +314,16 @@ fn integrals( } } - cint1e_nuc_cart(&mut buf, &mut shls, atm, natm as i32, bas, nbas as i32, env, std::ptr::null_mut()); + cint1e_nuc_cart( + &mut buf, + &mut shls, + atm, + natm as i32, + bas, + nbas as i32, + env, + std::ptr::null_mut(), + ); let mut c: usize = 0; for nuj in nu..(nu + dj) { for mui in mu..(mu + di) { @@ -301,16 +346,28 @@ fn integrals( for l in 0..nbas { shls[3] = l as i32; dl = CINTcgto_cart(l, &bas) as usize; - + buf = vec![0.0; di * dj * dk * dl]; - - cint2e_cart(&mut buf, &mut shls, atm, natm as i32, bas, nbas as i32, env, std::ptr::null_mut()); + + cint2e_cart( + &mut buf, + &mut shls, + atm, + natm as i32, + bas, + nbas as i32, + env, + std::ptr::null_mut(), + ); let mut c: usize = 0; for laml in lam..(lam + dl) { for sigk in sig..(sig + dk) { for nuj in nu..(nu + dj) { for mui in mu..(mu + di) { - two[mui*nshells.pow(3) + nuj*nshells.pow(2) + sigk*nshells + laml] = buf[c]; + two[mui * nshells.pow(3) + + nuj * nshells.pow(2) + + sigk * nshells + + laml] = buf[c]; c += 1; } } @@ -325,14 +382,11 @@ fn integrals( } mu += di; } - + return (S, H, two); } -fn find_X( - n: usize, - S: &[f64], -) -> (Vec, Vec) { +fn find_X(n: usize, S: &[f64]) -> (Vec, Vec) { let s_mat = mat::from_column_major_slice::(&S, n, n); let eig_decomp: Eigendecomposition = Eigendecomposition::new_from_real(s_mat); let eigenvalues = eig_decomp.s(); @@ -353,7 +407,7 @@ fn find_X( } sort(n, &mut eig, &mut U); - + let mut lamb = vec![0.0; n * n]; for i in 0..n { for j in 0..n { @@ -370,12 +424,7 @@ fn find_X( return (X, Xdag); } -pub fn calc_F( - n: usize, - P: &[f64], - two: &[f64], - H: &[f64], -) -> Vec { +pub fn calc_F(n: usize, P: &[f64], two: &[f64], H: &[f64]) -> Vec { let mut G = vec![0.0; n * n]; let mut F = vec![0.0; n * n]; @@ -383,35 +432,26 @@ pub fn calc_F( for nu in 0..n { for la in 0..n { for sig in 0..n { - G[mu*n + nu] += P[la*n + sig] - * (two[mu*n.pow(3) + nu*n.pow(2) + sig*n + la] - - 0.5 * two[mu*n.pow(3) + la*n.pow(2) + sig*n + nu]); + G[mu * n + nu] += P[la * n + sig] + * (two[mu * n.pow(3) + nu * n.pow(2) + sig * n + la] + - 0.5 * two[mu * n.pow(3) + la * n.pow(2) + sig * n + nu]); } } - F[mu*n + nu] += G[mu*n + nu] + H[mu*n + nu]; + F[mu * n + nu] += G[mu * n + nu] + H[mu * n + nu]; } } return F; } -fn calc_Fprime( - n: usize, - F: &[f64], - X: &[f64], - Xdag: &[f64], -) -> Vec { +fn calc_Fprime(n: usize, F: &[f64], X: &[f64], Xdag: &[f64]) -> Vec { let inter = matmult(n, &Xdag, &F); let Fprime = matmult(n, &inter, X); return Fprime; } -fn diag_F( - n: usize, - Fprime: &[f64], - X: &[f64], -) -> Vec { +fn diag_F(n: usize, Fprime: &[f64], X: &[f64]) -> Vec { let fprime_mat = mat::from_column_major_slice::(&Fprime, n, n); let eig_decomp: Eigendecomposition = Eigendecomposition::new_from_real(fprime_mat); let eigenvalues = eig_decomp.s(); @@ -433,7 +473,7 @@ fn diag_F( sort(n, &mut eig, &mut U); let Udag = transpose(n, &U); - let inter = matmult(n, &Udag, Fprime); + let inter = matmult(n, &Udag, Fprime); let f = matmult(n, &inter, &U); let Cprime = dcopya(n, &U); @@ -443,15 +483,11 @@ fn diag_F( return C; } -fn calc_P( - n: usize, - nelec: usize, - C: &mut [f64], -) -> Vec { +fn calc_P(n: usize, nelec: usize, C: &mut [f64]) -> Vec { let mut P = vec![0.0; n * n]; for mu in 0..n { for nu in 0..n { - for i in 0..(nelec/2) { + for i in 0..(nelec / 2) { P[mu * n + nu] += 2.0 * C[mu * n + i] * C[nu * n + i]; } } @@ -459,11 +495,7 @@ fn calc_P( return P; } -fn f_delta( - n: usize, - P: &mut [f64], - Pold: &mut [f64], -) -> f64 { +fn f_delta(n: usize, P: &mut [f64], Pold: &mut [f64]) -> f64 { let mut delta: f64 = 0.0; for mu in 0..n { for nu in 0..n { @@ -474,20 +506,15 @@ fn f_delta( return delta; } -pub fn norm( - atm: &mut [i32], - env: &mut [f64], - i: usize, - j: usize, -) -> f64 { - let xi: f64 = env[(atm[i*6 + 1]) as usize]; - let xj: f64 = env[(atm[j*6 + 1]) as usize]; +pub fn norm(atm: &mut [i32], env: &mut [f64], i: usize, j: usize) -> f64 { + let xi: f64 = env[(atm[i * 6 + 1]) as usize]; + let xj: f64 = env[(atm[j * 6 + 1]) as usize]; - let yi: f64 = env[(atm[i*6 + 1] + 1) as usize]; - let yj: f64 = env[(atm[j*6 + 1] + 1) as usize]; + let yi: f64 = env[(atm[i * 6 + 1] + 1) as usize]; + let yj: f64 = env[(atm[j * 6 + 1] + 1) as usize]; - let zi: f64 = env[(atm[i*6 + 1] + 2) as usize]; - let zj: f64 = env[(atm[j*6 + 1] + 2) as usize]; + let zi: f64 = env[(atm[i * 6 + 1] + 2) as usize]; + let zj: f64 = env[(atm[j * 6 + 1] + 2) as usize]; return ((xi - xj).powf(2.0) + (yi - yj).powf(2.0) + (zi - zj).powf(2.0)).powf(0.5); } @@ -511,7 +538,7 @@ pub fn density( for i in 0..nshells { for j in 0..nshells { if i == j { - P[i*nshells + j] = 1.0; + P[i * nshells + j] = 1.0; } } } @@ -521,7 +548,7 @@ pub fn density( let mut Pold; let mut F; - let mut Fprime; + let mut Fprime; let mut C; while delta > conv && i < imax { @@ -540,7 +567,7 @@ pub fn density( println!("did not converge"); for i in 0..nshells { for j in 0..nshells { - P[i*nshells + j] = 0.0; + P[i * nshells + j] = 0.0; } } } @@ -549,12 +576,7 @@ pub fn density( } #[no_mangle] -pub fn energy( - atm: &mut Vec, - bas: &mut Vec, - env: &mut Vec, - P: &mut Vec, -) -> f64 { +pub fn energy(atm: &mut Vec, bas: &mut Vec, env: &mut Vec, P: &mut Vec) -> f64 { let (natm, nbas) = nmol(atm, bas); let nshells = angl(bas, 0); @@ -564,7 +586,7 @@ pub fn energy( let mut E0: f64 = 0.0; for mu in 0..nshells { for nu in 0..nshells { - E0 += 0.5 * P[mu*nshells + nu] * (H[mu*nshells + nu] + F[mu*nshells + nu]); + E0 += 0.5 * P[mu * nshells + nu] * (H[mu * nshells + nu] + F[mu * nshells + nu]); } } @@ -572,7 +594,7 @@ pub fn energy( for i in 0..natm { for j in 0..natm { if i > j { - Enuc += (atm[i*6 + 0] * atm[j*6 + 0]) as f64 / (norm(atm, env, i, j)); + Enuc += (atm[i * 6 + 0] * atm[j * 6 + 0]) as f64 / (norm(atm, env, i, j)); } } } @@ -602,27 +624,47 @@ pub fn energyfast( mu = 0; for i in 0..nbas { - shls[0] = i as i32; let di = CINTcgto_cart(i, &bas) as usize; + shls[0] = i as i32; + let di = CINTcgto_cart(i, &bas) as usize; nu = 0; for j in 0..nbas { - shls[1] = j as i32; let dj = CINTcgto_cart(j, &bas) as usize; + shls[1] = j as i32; + let dj = CINTcgto_cart(j, &bas) as usize; buf = vec![0.0; di * dj]; - cint1e_kin_cart(&mut buf, &mut shls, atm, natm as i32, bas, nbas as i32, env, std::ptr::null_mut()); + cint1e_kin_cart( + &mut buf, + &mut shls, + atm, + natm as i32, + bas, + nbas as i32, + env, + std::ptr::null_mut(), + ); let mut c: usize = 0; for nuj in nu..(nu + dj) { for mui in mu..(mu + di) { - E0 += P[mui*nshells + nuj] * buf[c]; + E0 += P[mui * nshells + nuj] * buf[c]; c += 1; } } - cint1e_nuc_cart(&mut buf, &mut shls, atm, natm as i32, bas, nbas as i32, env, std::ptr::null_mut()); + cint1e_nuc_cart( + &mut buf, + &mut shls, + atm, + natm as i32, + bas, + nbas as i32, + env, + std::ptr::null_mut(), + ); let mut c: usize = 0; for nuj in nu..(nu + dj) { for mui in mu..(mu + di) { - E0 += P[mui*nshells + nuj] * buf[c]; + E0 += P[mui * nshells + nuj] * buf[c]; c += 1; } } @@ -633,26 +675,44 @@ pub fn energyfast( mu = 0; for i in 0..nbas { - shls[0] = i as i32; let di = CINTcgto_cart(i, &bas) as usize; + shls[0] = i as i32; + let di = CINTcgto_cart(i, &bas) as usize; nu = 0; for j in 0..nbas { - shls[1] = j as i32; let dj = CINTcgto_cart(j, &bas) as usize; + shls[1] = j as i32; + let dj = CINTcgto_cart(j, &bas) as usize; sig = 0; for k in 0..nbas { - shls[2] = k as i32; let dk = CINTcgto_cart(k, &bas) as usize; + shls[2] = k as i32; + let dk = CINTcgto_cart(k, &bas) as usize; lam = 0; for l in 0..nbas { - shls[3] = l as i32; let dl = CINTcgto_cart(l, &bas) as usize; + shls[3] = l as i32; + let dl = CINTcgto_cart(l, &bas) as usize; buf = vec![0.0; di * dj * dk * dl]; - cint2e_cart(&mut buf, &mut shls, atm, natm as i32, bas, nbas as i32, env, std::ptr::null_mut()); + cint2e_cart( + &mut buf, + &mut shls, + atm, + natm as i32, + bas, + nbas as i32, + env, + std::ptr::null_mut(), + ); let mut c: usize = 0; for laml in lam..(lam + dl) { for sigk in sig..(sig + dk) { for nuj in nu..(nu + dj) { for mui in mu..(mu + di) { - E0 += 0.5 * (P[mui*nshells + nuj] * P[sigk*nshells + laml] - 0.5 * P[mui*nshells + sigk] * P[nuj*nshells + laml]) * buf[c]; + E0 += 0.5 + * (P[mui * nshells + nuj] * P[sigk * nshells + laml] + - 0.5 + * P[mui * nshells + sigk] + * P[nuj * nshells + laml]) + * buf[c]; c += 1; } } @@ -671,7 +731,7 @@ pub fn energyfast( for i in 0..natm { for j in 0..natm { if i > j { - Enuc += (atm[i*6 + 0] * atm[j*6 + 0]) as f64 / (norm(atm, env, i, j)); + Enuc += (atm[i * 6 + 0] * atm[j * 6 + 0]) as f64 / (norm(atm, env, i, j)); } } } @@ -691,4 +751,4 @@ pub fn scf( let mut P = density(atm, bas, env, nelec, imax, conv); let Etot = energyfast(atm, bas, env, &mut P); return Etot; -} \ No newline at end of file +} diff --git a/src/utils.rs b/src/utils.rs index 8fb6a3a..dfd9ceb 100644 --- a/src/utils.rs +++ b/src/utils.rs @@ -1,8 +1,8 @@ -use std::io; use std::fs::File; +use std::io; +use std::io::prelude::*; use std::io::BufReader; use std::io::BufWriter; -use std::io::prelude::*; pub const ATM_SLOTS: usize = 6; pub const BAS_SLOTS: usize = 8; @@ -16,9 +16,9 @@ enum Token { pub fn read_basis( path: &str, // std::path::PathBuf, - atm: &mut Vec, - bas: &mut Vec, - env: &mut Vec + atm: &mut Vec, + bas: &mut Vec, + env: &mut Vec, ) -> io::Result<()> { // assert!(path.exists()); let file = File::open(path)?; @@ -80,10 +80,7 @@ pub fn read_basis( Ok(()) } -pub fn save_arr( - path: &str, - a: &mut [f64], -) -> io::Result<()> { +pub fn save_arr(path: &str, a: &mut [f64]) -> io::Result<()> { let file = File::create(path)?; let mut writer = BufWriter::new(file); @@ -96,11 +93,7 @@ pub fn save_arr( Ok(()) } -pub fn print_arr( - n: usize, - size: usize, - a: &mut [f64], -) { +pub fn print_arr(n: usize, size: usize, a: &mut [f64]) { for i in 0..(n.pow(size as u32)) { print!("{:.6} ", a[i]); for p in 1..size { @@ -112,10 +105,7 @@ pub fn print_arr( } #[no_mangle] -pub fn combine( - env1: &Vec, - env2: &Vec -) -> Vec { +pub fn combine(env1: &Vec, env2: &Vec) -> Vec { let mut env: Vec = vec![0.0; env1.len() + env2.len()]; let mut c = 0; @@ -132,9 +122,7 @@ pub fn combine( } #[no_mangle] -pub fn split( - bas: &mut Vec, -) -> (usize, usize) { +pub fn split(bas: &mut Vec) -> (usize, usize) { let mut min = -1; let mut max = -1; From a5bcad54c109bb5ec39dfd76b75a592a3276213e Mon Sep 17 00:00:00 2001 From: Manuel Drehwald Date: Fri, 20 Mar 2026 22:52:55 -0400 Subject: [PATCH 35/37] const --- src/cart2sph.rs | 2 +- src/optimizer.rs | 10 +++++----- 2 files changed, 6 insertions(+), 6 deletions(-) diff --git a/src/cart2sph.rs b/src/cart2sph.rs index e383167..7af946a 100644 --- a/src/cart2sph.rs +++ b/src/cart2sph.rs @@ -90064,7 +90064,7 @@ pub unsafe extern "C" fn c2s_dset0(mut out: *mut f64, mut dims: *mut i32, mut co #[no_mangle] pub unsafe extern "C" fn c2s_grids_dset0( mut out: *mut f64, - mut dims: *mut i32, + dims: *const i32, mut counts: *mut i32, ) { let mut counts1: [i32; 4] = [ diff --git a/src/optimizer.rs b/src/optimizer.rs index 2ac64b6..4f60a5b 100644 --- a/src/optimizer.rs +++ b/src/optimizer.rs @@ -1001,7 +1001,7 @@ pub unsafe extern "C" fn CINTOpt_setij( } } #[no_mangle] -pub unsafe extern "C" fn CINTdel_pairdata_optimizer(mut cintopt: *mut CINTOpt) { +pub unsafe fn CINTdel_pairdata_optimizer(mut cintopt: *mut CINTOpt) { if !cintopt.is_null() && !((*cintopt).pairdata).is_null() { free(*((*cintopt).pairdata).offset(0 as isize) as *mut libc::c_void); free((*cintopt).pairdata as *mut libc::c_void); @@ -1009,12 +1009,12 @@ pub unsafe extern "C" fn CINTdel_pairdata_optimizer(mut cintopt: *mut CINTOpt) { } } #[no_mangle] -pub unsafe extern "C" fn CINTOpt_non0coeff_byshell( +pub unsafe fn CINTOpt_non0coeff_byshell( mut sortedidx: *mut i32, - mut non0ctr: *mut i32, + non0ctr: *mut i32, ci: *const f64, - mut iprim: i32, - mut ictr: i32, + iprim: i32, + ictr: i32, ) { let mut ip: i32 = 0; let mut j: i32 = 0; From 3879f1c827837c7f5830336e1d08d28ed33b3d19 Mon Sep 17 00:00:00 2001 From: Manuel Drehwald Date: Fri, 20 Mar 2026 22:56:01 -0400 Subject: [PATCH 36/37] cleanup --- src/cint1e.rs | 9 ++++----- 1 file changed, 4 insertions(+), 5 deletions(-) diff --git a/src/cint1e.rs b/src/cint1e.rs index d70d311..292837c 100644 --- a/src/cint1e.rs +++ b/src/cint1e.rs @@ -87,7 +87,6 @@ pub unsafe fn CINT1e_loop( { return 0; } - let mut fac1j: f64 = 0.; let mut empty: [i32; 4] = [1, 1, 1, 1]; let mut gempty: *mut i32 = empty.as_mut_ptr().offset(0 as isize); let mut iempty: *mut i32 = empty.as_mut_ptr().offset(1 as isize); @@ -148,12 +147,12 @@ pub unsafe fn CINT1e_loop( let mut pdata_ij = pdata_base; for jp in 0..(j_prim as isize) { (*envs).aj[0] = *aj.offset(jp); - if j_ctr == 1 { - fac1j = common_factor * *cj.offset(jp); + let fac1j: f64 = if j_ctr == 1 { + common_factor * *cj.offset(jp) } else { - fac1j = common_factor; *iempty = 1; - } + common_factor + }; for ip in 0..(i_prim as isize) { if !((*pdata_ij).cceij > expcutoff) { (*envs).ai[0 as usize] = *ai.offset(ip); From 045d0817cbbdd8ffd1103deb2740f91d36248a8c Mon Sep 17 00:00:00 2001 From: Manuel Drehwald Date: Fri, 20 Mar 2026 23:27:34 -0400 Subject: [PATCH 37/37] make some hot mut ptr into const ptr --- src/cint1e.rs | 14 ++++++-------- 1 file changed, 6 insertions(+), 8 deletions(-) diff --git a/src/cint1e.rs b/src/cint1e.rs index 292837c..4fb20b8 100644 --- a/src/cint1e.rs +++ b/src/cint1e.rs @@ -385,8 +385,8 @@ unsafe extern "C" fn make_g1e_gout( #[inline(never)] pub unsafe fn CINTgout1e( gout: *mut f64, - g: *mut f64, - idx: *mut i32, + g: *const f64, + idx: *const i32, envs: &CINTEnvVars, empty: i32, ) { @@ -404,7 +404,6 @@ pub unsafe fn CINTgout1e( *gout.offset(n as isize) = *g.offset(ix as isize) * *g.offset(iy as isize) * *g.offset(iz as isize); n += 1; - n; } } else { n = 0; @@ -415,7 +414,6 @@ pub unsafe fn CINTgout1e( *gout.offset(n as isize) += *g.offset(ix as isize) * *g.offset(iy as isize) * *g.offset(iz as isize); n += 1; - n; } }; } @@ -488,10 +486,10 @@ pub unsafe extern "C" fn int1e_ovlp_sph( let mut envs: CINTEnvVars = CINTEnvVars::new(); CINTinit_int1e_EnvVars(&mut envs, &ng, shls, atm, natm, bas, nbas, env); envs.f_gout = ::core::mem::transmute::< - Option ()>, + Option ()>, Option ()>, >(Some( - CINTgout1e as unsafe fn(*mut f64, *mut f64, *mut i32, &CINTEnvVars, i32) -> (), + CINTgout1e as unsafe fn(*mut f64, *const f64, *const i32, &CINTEnvVars, i32) -> (), )); return CINT1e_drv( out, @@ -525,10 +523,10 @@ pub unsafe fn int1e_ovlp_cart( let mut envs: CINTEnvVars = CINTEnvVars::new(); CINTinit_int1e_EnvVars(&mut envs, &ng, shls, atm, natm, bas, nbas, env); envs.f_gout = ::core::mem::transmute::< - Option ()>, + Option ()>, Option ()>, >(Some( - CINTgout1e as unsafe fn(*mut f64, *mut f64, *mut i32, &CINTEnvVars, i32) -> (), + CINTgout1e as unsafe fn(*mut f64, *const f64, *const i32, &CINTEnvVars, i32) -> (), )); return CINT1e_drv( out,