Update operator accessing (#154)

Author: jwaldrop107

src/integrals/ao_integrals/j_density_fitted.cpp

@@ -43,7 +43,7 @@ MODULE_RUN(JDensityFitted) {
     auto bra          = braket.bra();
     auto ket          = braket.ket();
     const auto& j_hat = braket.op();
-    const auto& rho   = j_hat.rhs_particle();
+    const auto& rho   = j_hat.get_rhs_particle();
     const auto& p     = rho.value();
     auto rho_aos      = rho.basis_set();
     auto aux          = inputs.at("Auxiliary Basis Set").value<aos_t>();

src/integrals/ao_integrals/j_four_center.cpp

@@ -40,7 +40,7 @@ MODULE_RUN(JFourCenter) {
     auto bra              = braket.bra();
     auto ket              = braket.ket();
     const auto& j_hat     = braket.op();
-    const auto& rho       = j_hat.rhs_particle();
+    const auto& rho       = j_hat.get_rhs_particle();
     const auto& p         = rho.value();
     auto rho_aos          = rho.basis_set();
     auto& eri_mod         = submods.at("Four-center ERI");

src/integrals/ao_integrals/k_density_fitted.cpp

@@ -44,7 +44,7 @@ MODULE_RUN(KDensityFitted) {
     auto bra          = braket.bra();
     auto ket          = braket.ket();
     const auto& j_hat = braket.op();
-    const auto& rho   = j_hat.rhs_particle();
+    const auto& rho   = j_hat.get_rhs_particle();
     const auto& p     = rho.value();
     auto rho_aos      = rho.basis_set();
     auto aux          = inputs.at("Auxiliary Basis Set").value<aos_t>();

src/integrals/ao_integrals/k_four_center.cpp

@@ -41,7 +41,7 @@ MODULE_RUN(KFourCenter) {
     auto bra              = braket.bra();
     auto ket              = braket.ket();
     const auto& j_hat     = braket.op();
-    const auto& rho       = j_hat.rhs_particle();
+    const auto& rho       = j_hat.get_rhs_particle();
     const auto& p         = rho.value();
     auto rho_aos          = rho.basis_set();
     auto& eri_mod         = submods.at("Four-center ERI");

src/integrals/libint/detail_/make_engine.hpp

@@ -56,7 +56,7 @@ auto make_engine(const std::vector<libint2::BasisSet>& bases, const OpType& op,
     }
 
     if constexpr(std::is_same_v<OpType, simde::type::v_en_type>) {
-        const auto& nuclei = op.rhs_particle();
+        const auto& nuclei = op.get_rhs_particle();
         std::vector<std::pair<double, std::array<double, 3>>> qs;
         for(const auto& ai : nuclei) {
             std::array<double, 3> coords{ai.x(), ai.y(), ai.z()};