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Pull requests: bytedance/gpu4pyscf

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Pull requests list

upgrade pyscf/dispersion and make gpu4pyscf self-contain all dispersion codes
#8 by JiashuLiang Collaborator was closed Feb 18, 2026 Loading…
1
DFT numint opt: dft/numint.py grad/rks.py grad/uks.py hessian/rks.py
#7 by qiuyunze Collaborator was closed Aug 25, 2025 • Draft
Update Bytedance feat/polarizability example
#6 by sunqm was merged Apr 25, 2025 Loading…
1
Block unused PCM hessian code
#5 by henryw7 was closed Dec 6, 2024 Loading…
cleanup vscode settings
#4 by wenyan4work was closed Feb 16, 2024 Loading…
dft grouped gemm
#3 by wxj6000 Collaborator was closed Feb 23, 2024 Loading…
Create unittest.yml
#2 by wxj6000 Collaborator was closed Feb 7, 2024 Loading…
Add chelpg charges in qmmm folder.
#1 by puzhichen was merged Oct 25, 2023 Loading…
1
ProTip! What’s not been updated in a month: updated:<2026-03-22.