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updated readme
.github/workflows/github_actions.yml #151: Commit 371d460 pushed by wxj6000
January 25, 2024 19:56 1d 3h 28m 19s smd_grad_hess
January 25, 2024 19:56 1d 3h 28m 19s
updated readme
Lint #149: Commit 371d460 pushed by wxj6000
January 25, 2024 19:56 18s smd_grad_hess
January 25, 2024 19:56 18s
increased # of quad points for SASA
.github/workflows/github_actions.yml #150: Commit 11fbf9d pushed by wxj6000
January 25, 2024 19:30 1d 3h 54m 16s smd_grad_hess
January 25, 2024 19:30 1d 3h 54m 16s
increased # of quad points for SASA
Lint #148: Commit 11fbf9d pushed by wxj6000
January 25, 2024 19:30 18s smd_grad_hess
January 25, 2024 19:30 18s
Merge branch 'master' into uks_dev
.github/workflows/github_actions.yml #149: Commit 3f311a4 pushed by wxj6000
January 24, 2024 05:09 1d 8h 0m 51s uks_dev
January 24, 2024 05:09 1d 8h 0m 51s
Merge branch 'master' into uks_dev
Lint #147: Commit 3f311a4 pushed by wxj6000
January 24, 2024 05:09 23s uks_dev
January 24, 2024 05:09 23s
Add density fitting for UHF and UKS.
Lint #146: Commit 4c7acb2 pushed by puzhichen
January 23, 2024 07:04 38m 14s uks_dev
January 23, 2024 07:04 38m 14s
Add density fitting for UHF and UKS.
.github/workflows/github_actions.yml #148: Commit 4c7acb2 pushed by puzhichen
January 23, 2024 07:04 1d 6h 6m 32s uks_dev
January 23, 2024 07:04 1d 6h 6m 32s
fixed a bug in smd gradient
.github/workflows/github_actions.yml #147: Commit c8d8c35 pushed by wxj6000
January 22, 2024 17:19 1d 6h 5m 23s smd_grad_hess
January 22, 2024 17:19 1d 6h 5m 23s
fixed a bug in smd gradient
Lint #145: Commit c8d8c35 pushed by wxj6000
January 22, 2024 17:19 17s smd_grad_hess
January 22, 2024 17:19 17s
tag_array for tuple of arrays
Lint #144: Commit 3c1b461 pushed by wxj6000
January 21, 2024 07:32 18s smd_grad_hess
January 21, 2024 07:32 18s
tag_array for tuple of arrays
.github/workflows/github_actions.yml #146: Commit 3c1b461 pushed by wxj6000
January 21, 2024 07:32 1d 5h 38m 22s smd_grad_hess
January 21, 2024 07:32 1d 5h 38m 22s
fixed a bug in smd gradient
Lint #143: Commit de99b9d pushed by wxj6000
January 20, 2024 23:50 21s smd_grad_hess
January 20, 2024 23:50 21s
fixed a bug in smd gradient
.github/workflows/github_actions.yml #145: Commit de99b9d pushed by wxj6000
January 20, 2024 23:50 1d 13h 19m 41s smd_grad_hess
January 20, 2024 23:50 1d 13h 19m 41s
Uks dev (#78)
Lint #142: Commit b501107 pushed by wxj6000
January 20, 2024 23:41 14s master
January 20, 2024 23:41 14s
Uks dev (#78)
.github/workflows/github_actions.yml #144: Commit b501107 pushed by wxj6000
January 20, 2024 23:41 1d 13h 29m 4s master
January 20, 2024 23:41 1d 13h 29m 4s
smd gradient
Lint #141: Commit 958efcc pushed by wxj6000
January 19, 2024 21:55 14s smd_grad_hess
January 19, 2024 21:55 14s
smd gradient
.github/workflows/github_actions.yml #143: Commit 958efcc pushed by wxj6000
January 19, 2024 21:55 1d 1h 28m 33s smd_grad_hess
January 19, 2024 21:55 1d 1h 28m 33s
Fix typos in test_uks.py
Lint #140: Commit 730cd7a pushed by puzhichen
January 19, 2024 03:20 16s uks_dev
January 19, 2024 03:20 16s
Fix typos in test_uks.py
.github/workflows/github_actions.yml #142: Commit 730cd7a pushed by puzhichen
January 19, 2024 03:20 1d 9h 49m 37s uks_dev
January 19, 2024 03:20 1d 9h 49m 37s
Add the UKS and a unit test for it.
Lint #139: Commit 910416f pushed by puzhichen
January 19, 2024 02:38 20s uks_dev
January 19, 2024 02:38 20s
Add the UKS and a unit test for it.
.github/workflows/github_actions.yml #141: Commit 910416f pushed by puzhichen
January 19, 2024 02:38 1d 10h 32m 19s uks_dev
January 19, 2024 02:38 1d 10h 32m 19s
January 18, 2024 08:11 18s
Merge branch 'v0.6.17' of https://github.com/bytedance/gpu4pyscf into…
.github/workflows/github_actions.yml #140: Commit bea6772 pushed by wxj6000
January 18, 2024 08:11 1d 4h 59m 33s v0.6.17
January 18, 2024 08:11 1d 4h 59m 33s
Merge branch 'master' into v0.6.17
Lint #137: Commit edef5bd pushed by wxj6000
January 18, 2024 08:03 17s v0.6.17
January 18, 2024 08:03 17s