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Optimize hessian 3 (#54)
Lint #49: Commit be1aef0 pushed by wxj6000
November 3, 2023 04:07 17s dev
dev
November 3, 2023 04:07 17s
Optimize hessian 3 (#54)
.github/workflows/github_actions.yml #51: Commit be1aef0 pushed by wxj6000
November 3, 2023 04:07 1d 9h 3m 29s dev
dev
November 3, 2023 04:07 1d 9h 3m 29s
Merge branch 'pyscf:master' into master
Lint #48: Commit dfba089 pushed by wxj6000
November 3, 2023 04:06 17s master
November 3, 2023 04:06 17s
Merge branch 'pyscf:master' into master
.github/workflows/github_actions.yml #50: Commit dfba089 pushed by wxj6000
November 3, 2023 04:06 1d 9h 3m 39s master
November 3, 2023 04:06 1d 9h 3m 39s
Merge branch 'optimize_hessian_3' of https://github.com/bytedance/gpu…
.github/workflows/github_actions.yml #49: Commit 18ce5a4 pushed by wxj6000
November 3, 2023 03:55 1d 9h 14m 40s optimize_hessian_3
November 3, 2023 03:55 1d 9h 14m 40s
Merge branch 'master' into optimize_hessian_3
.github/workflows/github_actions.yml #48: Commit 6bcc061 pushed by wxj6000
November 3, 2023 03:18 1d 9h 51m 36s optimize_hessian_3
November 3, 2023 03:18 1d 9h 51m 36s
Merge branch 'master' into optimize_hessian_3
Lint #46: Commit 6bcc061 pushed by wxj6000
November 3, 2023 03:18 15s optimize_hessian_3
November 3, 2023 03:18 15s
optimize hessian & gpu timer
Lint #45: Commit d153533 pushed by wxj6000
November 3, 2023 03:00 18s optimize_hessian_3
November 3, 2023 03:00 18s
optimize hessian & gpu timer
.github/workflows/github_actions.yml #47: Commit d153533 pushed by wxj6000
November 3, 2023 03:00 1d 10h 10m 34s optimize_hessian_3
November 3, 2023 03:00 1d 10h 10m 34s
precompute fxc_x
Lint #44: Commit ac37238 pushed by wxj6000
October 27, 2023 20:30 22s optimize_hessian_2
October 27, 2023 20:30 22s
precompute fxc_x
.github/workflows/github_actions.yml #46: Commit ac37238 pushed by wxj6000
October 27, 2023 20:30 1d 2h 54m 6s optimize_hessian_2
October 27, 2023 20:30 1d 2h 54m 6s
Add chelpg charges in qmmm folder. (#1) (#52)
Lint #43: Commit 891ef81 pushed by wxj6000
October 27, 2023 17:43 16s dev
dev
October 27, 2023 17:43 16s
Add chelpg charges in qmmm folder. (#1) (#52)
.github/workflows/github_actions.yml #45: Commit 891ef81 pushed by wxj6000
October 27, 2023 17:43 1d 5h 41m 25s dev
dev
October 27, 2023 17:43 1d 5h 41m 25s
Merge branch 'pyscf:master' into master
Lint #42: Commit ad82021 pushed by wxj6000
October 27, 2023 17:42 21s master
October 27, 2023 17:42 21s
Merge branch 'pyscf:master' into master
.github/workflows/github_actions.yml #44: Commit ad82021 pushed by wxj6000
October 27, 2023 17:42 1d 5h 41m 48s master
October 27, 2023 17:42 1d 5h 41m 48s
fixed a bug in nlc
Lint #41: Commit f97aadb pushed by wxj6000
October 27, 2023 16:04 20s optimize_hessian_2
October 27, 2023 16:04 20s
fixed a bug in nlc
.github/workflows/github_actions.yml #43: Commit f97aadb pushed by wxj6000
October 27, 2023 16:04 1d 7h 19m 41s optimize_hessian_2
October 27, 2023 16:04 1d 7h 19m 41s
Merge branch 'master' into optimize_hessian_2
Lint #40: Commit 8bf8b05 pushed by wxj6000
October 26, 2023 23:11 18s optimize_hessian_2
October 26, 2023 23:11 18s
Merge branch 'master' into optimize_hessian_2
.github/workflows/github_actions.yml #42: Commit 8bf8b05 pushed by wxj6000
October 26, 2023 23:11 1d 0h 13m 5s optimize_hessian_2
October 26, 2023 23:11 1d 0h 13m 5s
remove lprof
Lint #39: Commit dd94ea0 pushed by wxj6000
October 26, 2023 23:08 19s optimize_hessian_2
October 26, 2023 23:08 19s
remove lprof
.github/workflows/github_actions.yml #41: Commit dd94ea0 pushed by wxj6000
October 26, 2023 23:08 1d 0h 16m 4s optimize_hessian_2
October 26, 2023 23:08 1d 0h 16m 4s
Add chelpg charges in qmmm folder. (#1)
.github/workflows/github_actions.yml #40: Commit 095c132 pushed by wxj6000
October 25, 2023 04:44 1d 8h 26m 20s master
October 25, 2023 04:44 1d 8h 26m 20s
Update __init__.py
.github/workflows/github_actions.yml #39: Commit 2fff5f3 pushed by wxj6000
October 25, 2023 04:41 1d 8h 29m 21s master
October 25, 2023 04:41 1d 8h 29m 21s
Add an example to calculate chelpg
.github/workflows/github_actions.yml #38: Commit 269c6b5 pushed by puzhichen
October 25, 2023 01:41 1d 11h 29m 29s chelpg-charge
October 25, 2023 01:41 1d 11h 29m 29s