Skip to content

Pull requests: pyscf/gpu4pyscf

New pull request New
12 Open 676 Closed
12 Open 676 Closed
Author
Filter by author
Loading
Label
Filter by label
Loading
Use alt + click/return to exclude labels
or ⇧ + click/return for logical OR
Projects
Filter by project
Loading
Milestones
Filter by milestone
Loading
Reviews
Filter by reviews
No reviews Review required Approved review Changes requested
Assignee
Filter by who’s assigned
Assigned to nobody Loading
Sort
Sort by
Newest Oldest Most commented Least commented Recently updated Least recently updated Best match
Most reactions
👍 👎 😄 🎉 😕 ❤️ 🚀 👀

Pull requests list

remove the imaginary part for self-conjugate kpoints
#871 opened Aug 25, 2026 by puzhichen Collaborator • Draft
Update github action configuration
#870 opened Aug 24, 2026 by sunqm Collaborator Loading…
Add GPU density-fitted CASCI and diagonal-Hessian CASSCF
#869 opened Aug 24, 2026 by wtpeter Contributor Loading…
PBC multigrid optimization
#865 opened Aug 21, 2026 by sunqm Collaborator • Draft
add the gamma-point hessian with phonopy
#860 opened Aug 17, 2026 by puzhichen Collaborator Loading…
3
Support new functionalities in cuEST v0.2.0
#859 opened Aug 17, 2026 by henryw7 Collaborator • Draft
2 tasks
Feat: Single-fragment DMET-like DFT embedding framework
#771 opened May 26, 2026 by puzhichen Collaborator • Draft
Further screening in multigrid v2
#697 opened Mar 19, 2026 by Walter-Feng Contributor Loading…
Implementing OccRI
#644 opened Jan 29, 2026 by yangjunjie0320 Loading…
1
Feat/c8
#639 opened Jan 23, 2026 by puzhichen Collaborator • Draft
Trinary contraction
#546 opened Oct 20, 2025 by sunqm Collaborator • Draft v1.6.0
Replace min(blksize, MIN_BLKSIZE) by max(blksize, MIN_BLKSIZE)
#287 opened Dec 17, 2024 by DerkKooi Loading…
2
ProTip! Follow long discussions with comments:>50.