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QUICK-25.08 Release Checklist

Status: Open.

#431 In merzlab/QUICK;

· ohearnk opened on Jul 4, 2025

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QUICK-25.08

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

Enable one-electron integrals with f functions on GPU

Performance improvement

Status: Open.

#422 In merzlab/QUICK;

· agoetz opened on May 1, 2025

· 

QUICK-25.08

API support for Mulliken charges and dipole moment

enhancementNew feature or requestNew feature or request

Status: Open.

#416 In merzlab/QUICK;

· agoetz opened on Apr 8, 2025

Replace subroutines in src/subs with more modern solutions

Code cleanupCode cleanup or refactoringCode cleanup or refactoring

Status: Open.

#408 In merzlab/QUICK;

· agoetz opened on Mar 6, 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

· 

QUICK-25.08

SAD guess producing wrong results

bugSomething isn't workingSomething isn't working

Status: Open.

#400 In merzlab/QUICK;

· agoetz opened on Feb 20, 2025

· 

QUICK-25.08

API not compatible with free energy calculation

enhancementNew feature or requestNew feature or request

Status: Open.

#392 In merzlab/QUICK;

· lizhen62017 opened on Feb 3, 2025

How to enable restart/resume option. Complete documentation?

Status: Open.

#387 In merzlab/QUICK;

· crtag opened on Nov 22, 2024

· 

QUICK-25.08

How to interprete QUICK results

Status: Open.

#386 In merzlab/QUICK;

· medchemunipr opened on Nov 19, 2024

Uniform electric field support

enhancementNew feature or requestNew feature or request

Status: Open.

#379 In merzlab/QUICK;

· agoetz opened on Aug 28, 2024

CMake cleans all MPI flags before build

Status: Open.

#343 In merzlab/QUICK;

· njzjz opened on Mar 15, 2024