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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
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