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Pull requests: merzlab/QUICK

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Pull requests list

Skip K accumulation for GPU 2e integrals if HF exchange fraction is zero
#491 opened Jul 11, 2026 by michaelyxsun Loading…
Refactor - Remove SCF from gradient calculation Code cleanup Code cleanup or refactoring
#490 opened Jul 11, 2026 by agoetz Collaborator • Draft
2
Tighter cutoff
#489 opened Jul 10, 2026 by vtripath65 Collaborator Loading…
1
Refactor xc-grid functions
#486 opened May 9, 2026 by YutingDuan111 Collaborator Loading…
8
Bump NVHPC SDK version in Github CI tests enhancement New feature or request
#479 opened Apr 22, 2026 by ohearnk Collaborator Loading… QUICK-26.03
@ohearnk
1
Add Python interface (pyquick) via f2py
#474 opened Apr 8, 2026 by vtripath65 Collaborator • Draft
1
MPI Fortran Modernization Part 2 Code cleanup Code cleanup or refactoring
#405 opened Mar 2, 2025 by ohearnk Collaborator • Draft
1
@ohearnk
Update bundled BLAS/LAPACK code enhancement New feature or request
#393 opened Feb 15, 2025 by ohearnk Collaborator • Draft
@ohearnk
Containerizing QUICK: Add Dockerfile and GitHub Actions enhancement New feature or request
#358 opened Mar 27, 2024 by kkrick-sdsu Loading…
283 improve gradient printout Code cleanup Code cleanup or refactoring
#288 opened Jun 4, 2023 by akhilshajan Collaborator Loading…
1
MP2 cleaned up Code cleanup Code cleanup or refactoring
#186 opened Mar 24, 2021 by Altaimorin Collaborator Loading…
ProTip! What’s not been updated in a month: updated:<2026-06-14.