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Update Fortran MPI support

Code cleanupCode cleanup or refactoringCode cleanup or refactoring

Status: Open.

#316 In merzlab/QUICK;

· agoetz opened on Feb 29, 2024

Improve gradient printout

enhancementNew feature or requestNew feature or request

Status: Open.

#283 In merzlab/QUICK;

· agoetz opened on Feb 20, 2023

Nvidia compiler: Gly12 input reading fails due to Windows newline characters

bugSomething isn't workingSomething isn't working

Status: Open.

#49 In merzlab/QUICK;

· merzlab opened on Jan 23, 2021

SAD guess producing wrong results

bugSomething isn't workingSomething isn't working

Status: Open.

#400 In merzlab/QUICK;

· agoetz opened on Feb 20, 2025

Toggle F function disabled error only for GPU code

bugSomething isn't workingSomething isn't working

Status: Open.

#404 In merzlab/QUICK;

· agoetz opened on Feb 28, 2025

Enable one-electron integrals with f functions on GPU

Performance improvement

Status: Open.

#422 In merzlab/QUICK;

· agoetz opened on May 1, 2025

Performance regression for CUDA codes with recent CUDA versions (>= v12.5.0)

bugSomething isn't workingSomething isn't working

Status: Open.

#427 In merzlab/QUICK;

· ohearnk opened on Jul 3, 2025

QUICK-26.03 Release Checklist

Status: Open.

#431 In merzlab/QUICK;

· ohearnk opened on Jul 4, 2025

Build support for Cray toolchains with AMD GPUs

Bug fix

enhancementNew feature or requestNew feature or request

Status: Draft (not ready).

merzlab/QUICKnumber 445

#445 In merzlab/QUICK;

· ohearnk opened on Jan 20, 2026

MPI Communicator Refactoring (in support of expanded QM/MM API)

enhancementNew feature or requestNew feature or request

Status: Draft (not ready).

merzlab/QUICKnumber 473

#473 In merzlab/QUICK;

· ohearnk opened on Apr 6, 2026