List view

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

How to enable restart/resume option. Complete documentation?

Status: Open.

#387 In merzlab/QUICK;

· crtag opened on Nov 22, 2024

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-25.08 Release Checklist

Status: Open.

#431 In merzlab/QUICK;

· ohearnk opened on Jul 4, 2025

Test references are outdated with respect to current gradient cutoff default parameters

Code validation

Status: Open.

#438 In merzlab/QUICK;

· ohearnk opened on Nov 18, 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

Bug fixes to previously merged oeproperties-dev branch (Part 2)

Bug fix

Status: Open (in progress).

merzlab/QUICKnumber 449

#449 In merzlab/QUICK;

· ohearnk opened on Feb 2, 2026