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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
optimize_hessian_2
October 27, 2023 20:30 1d 2h 54m 6s
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
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
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
master
October 27, 2023 17:42 1d 5h 41m 48s
Merge branch 'pyscf:master' into master Lint #42: Commit ad82021 pushed by wxj6000
October 27, 2023 17:42 21s master
master
October 27, 2023 17:42 21s
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
optimize_hessian_2
October 27, 2023 16:04 1d 7h 19m 41s
fixed a bug in nlc Lint #41: Commit f97aadb pushed by wxj6000
October 27, 2023 16:04 20s optimize_hessian_2
optimize_hessian_2
October 27, 2023 16:04 20s
Merge branch 'master' into optimize_hessian_2 Lint #40: Commit 8bf8b05 pushed by wxj6000
October 26, 2023 23:11 18s optimize_hessian_2
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
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
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
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
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
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
chelpg-charge
October 25, 2023 01:41 1d 11h 29m 29s
Add unit test for chelpg, and compare with Qchem .github/workflows/github_actions.yml #37: Commit 3f34750 pushed by puzhichen
October 25, 2023 01:39 1d 11h 30m 37s chelpg-charge
chelpg-charge
October 25, 2023 01:39 1d 11h 30m 37s
Update chelpg.py .github/workflows/github_actions.yml #36: Commit a9f06cf pushed by puzhichen
October 25, 2023 01:28 1d 11h 42m 20s chelpg-charge
chelpg-charge
October 25, 2023 01:28 1d 11h 42m 20s
cupy.einsum -> contract .github/workflows/github_actions.yml #35: Commit c90bff5 pushed by wxj6000
October 24, 2023 22:52 1d 0h 31m 49s optimize_hessian
optimize_hessian
October 24, 2023 22:52 1d 0h 31m 49s
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