-
Notifications
You must be signed in to change notification settings - Fork 77
Pull requests: pyscf/gpu4pyscf
Author
Label
Projects
Milestones
Reviews
Assignee
Sort
Pull requests list
wrap cupy.einsum() with ascontiguousarray() as einsum can return transposed view when requested output order differs from internal contraction order
#904
opened Sep 9, 2026 by
Efithor
Contributor
Loading…
[SYCL] Infrastructure to support SYCL backend
#903
opened Sep 9, 2026 by
abagusetty
Contributor
Loading…
Refactor FSSH main class and Wigner sampling functions
#899
opened Sep 8, 2026 by
felixmiaomiao
Contributor
Loading…
cleanup cp vs np usage, early return with warp-divergence in ft_ao.cu
#894
opened Sep 3, 2026 by
abagusetty
Contributor
Loading…
Add atom-resolved magnetic moment initial guesses for PBC
#892
opened Sep 3, 2026 by
puzhichen
Collaborator
Loading…
Optimize density evaluation in PBC multigrid v3.
#891
opened Sep 2, 2026 by
sunqm
Collaborator
Loading…
Becke grid XC nuclear derivative, including grid response
#887
opened Sep 2, 2026 by
henryw7
Collaborator
Loading…
2 tasks done
Add GPU density-fitted CASCI and diagonal-Hessian CASSCF
#869
opened Aug 24, 2026 by
wtpeter
Contributor
Loading…
Replace min(blksize, MIN_BLKSIZE) by max(blksize, MIN_BLKSIZE)
#287
opened Dec 17, 2024 by
DerkKooi
Loading…
ProTip!
Filter pull requests by the default branch with base:master.