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Update FFmetalcomplex.py Autosolvate CI #112: Commit 0f54dc5 pushed by SangniXun
November 26, 2024 05:07 13m 24s autosolvate_merge
autosolvate_merge
November 26, 2024 05:07 13m 24s
update Autosolvate CI #111: Commit 427dad6 pushed by SangniXun
November 22, 2024 19:17 13m 22s autosolvate_merge
autosolvate_merge
November 22, 2024 19:17 13m 22s
Merge branch 'autosolvate_merge' of github.com:Liu-group/AutoSolvate … Autosolvate CI #110: Commit f4fc325 pushed by SangniXun
November 22, 2024 18:21 13m 30s autosolvate_merge
autosolvate_merge
November 22, 2024 18:21 13m 30s
Autosolvate add orca Python application #9: Pull request #57 synchronize by SangniXun
September 19, 2024 20:05 6m 32s autosolvate_add_orca
autosolvate_add_orca
September 19, 2024 20:05 6m 32s
Autosolvate add orca Python application #8: Pull request #57 synchronize by SangniXun
September 19, 2024 17:56 5m 25s autosolvate_add_orca
autosolvate_add_orca
September 19, 2024 17:56 5m 25s
Autosolvate add orca Python application #7: Pull request #57 opened by SangniXun
September 18, 2024 15:03 4m 14s autosolvate_add_orca
autosolvate_add_orca
September 18, 2024 15:03 4m 14s
update readthedocs.yaml Autosolvate CI #109: Commit 2dbaf12 pushed by fangning-ren
August 23, 2024 23:11 12m 3s autosolvate_merge
autosolvate_merge
August 23, 2024 23:11 12m 3s
123 Autosolvate CI #108: Commit d5b3def pushed by fangning-ren
August 23, 2024 23:09 10m 42s autosolvate_merge
autosolvate_merge
August 23, 2024 23:09 10m 42s
update readthedocs.yaml Autosolvate CI #107: Commit 54e805f pushed by fangning-ren
August 23, 2024 22:57 10m 48s autosolvate_merge
autosolvate_merge
August 23, 2024 22:57 10m 48s
updated readthedocs.yaml Autosolvate CI #106: Commit 2381aa2 pushed by fangning-ren
August 23, 2024 22:55 10m 11s autosolvate_merge
autosolvate_merge
August 23, 2024 22:55 10m 11s
updated documents Autosolvate CI #105: Commit c196326 pushed by fangning-ren
August 23, 2024 22:43 11m 25s autosolvate_merge
autosolvate_merge
August 23, 2024 22:43 11m 25s
update html Autosolvate CI #104: Commit 570e1fd pushed by SangniXun
August 20, 2024 01:48 11m 1s autosolvate_merge
autosolvate_merge
August 20, 2024 01:48 11m 1s
Update FFmetalcomplex.py Autosolvate CI #103: Commit 9f9c1a3 pushed by SangniXun
August 20, 2024 01:36 9m 56s autosolvate_merge
autosolvate_merge
August 20, 2024 01:36 9m 56s
to solve the conda problem of molsimplify 1.7.3 Autosolvate CI #102: Commit 7a2f299 pushed by SangniXun
August 20, 2024 00:02 12m 32s autosolvate_merge
autosolvate_merge
August 20, 2024 00:02 12m 32s
debug Autosolvate CI #101: Commit 6c2ef33 pushed by SangniXun
August 19, 2024 09:03 12m 8s autosolvate_merge
autosolvate_merge
August 19, 2024 09:03 12m 8s
Add files via upload Autosolvate CI #100: Commit 18dcba2 pushed by SangniXun
August 15, 2024 16:42 14m 39s autosolvate_merge
autosolvate_merge
August 15, 2024 16:42 14m 39s
Merge pull request #54 from Liu-group/autosolvate_merge_tutorial_update Autosolvate CI #99: Commit cf138cf pushed by ffangliu
August 9, 2024 17:42 10m 3s autosolvate_merge
autosolvate_merge
August 9, 2024 17:42 10m 3s
Merge pull request #51 from Liu-group/test_workflow_main Python application #6: Commit 9ebd3f3 pushed by ffangliu
August 9, 2024 17:42 4m 39s main
main
August 9, 2024 17:42 4m 39s
add transition_metals_only=False Autosolvate CI #98: Commit d444335 pushed by SangniXun
August 7, 2024 16:49 11m 45s autosolvate_merge
autosolvate_merge
August 7, 2024 16:49 11m 45s
debug Autosolvate CI #97: Commit c93d62f pushed by SangniXun
August 6, 2024 19:46 13m 2s autosolvate_merge
autosolvate_merge
August 6, 2024 19:46 13m 2s
update Autosolvate CI #96: Commit 3cceb02 pushed by SangniXun
August 6, 2024 18:49 10m 6s autosolvate_merge
autosolvate_merge
August 6, 2024 18:49 10m 6s
update the output Autosolvate CI #95: Commit 9a1945a pushed by SangniXun
August 6, 2024 16:06 14m 9s autosolvate_merge
autosolvate_merge
August 6, 2024 16:06 14m 9s
debug of the problem dealing with Na, Mg,etc Autosolvate CI #94: Commit 29735c3 pushed by SangniXun
July 31, 2024 04:42 11m 5s autosolvate_merge
autosolvate_merge
July 31, 2024 04:42 11m 5s
update Autosolvate CI #93: Commit 0e0f5b6 pushed by SangniXun
July 22, 2024 15:34 9m 49s autosolvate_merge
autosolvate_merge
July 22, 2024 15:34 9m 49s
update multicomponent tutorial Autosolvate CI #92: Pull request #54 synchronize by fangning-ren
July 14, 2024 22:10 12m 0s autosolvate_merge_tutorial_update
autosolvate_merge_tutorial_update
July 14, 2024 22:10 12m 0s