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CI
CI #6129: Scheduled
November 12, 2024 01:03 1h 54m 13s main
November 12, 2024 01:03 1h 54m 13s
CodeQL
CodeQL #1169: Scheduled
November 11, 2024 20:48 2m 30s main
November 11, 2024 20:48 2m 30s
Return heavy atoms
CI #6128: Commit 9fcab52 pushed by JintaoWu98
November 11, 2024 08:39 38m 22s pv_plot
November 11, 2024 08:39 38m 22s
Return torsion numbers
CI #6127: Commit f7cb8e9 pushed by JintaoWu98
November 11, 2024 07:29 40m 48s pv_plot
November 11, 2024 07:29 40m 48s
CI
CI #6126: Scheduled
November 11, 2024 01:05 1h 56m 17s main
November 11, 2024 01:05 1h 56m 17s
CI
CI #6125: Scheduled
November 10, 2024 01:08 2m 29s main
November 10, 2024 01:08 2m 29s
CI
CI #6124: Scheduled
November 9, 2024 01:02 1h 57m 58s main
November 9, 2024 01:02 1h 57m 58s
Docker Image Build and Push
Docker Image Build and Push #92: Scheduled
November 8, 2024 01:11 3m 22s main
November 8, 2024 01:11 3m 22s
CI
CI #6123: Scheduled
November 8, 2024 01:04 1h 56m 44s main
November 8, 2024 01:04 1h 56m 44s
Update cache
Update cache #166: Scheduled
November 8, 2024 00:39 2m 16s main
November 8, 2024 00:39 2m 16s
WELL_GAP
CI #6122: Commit dfc59d7 pushed by JintaoWu98
November 7, 2024 03:47 1h 46m 4s pv_plot
November 7, 2024 03:47 1h 46m 4s
CI
CI #6121: Scheduled
November 7, 2024 01:04 1h 51m 48s main
November 7, 2024 01:04 1h 51m 48s
Temporary commit
CI #6120: Commit 8d3763f pushed by LeenFahoum
November 6, 2024 12:49 28m 5s hydrolysis
November 6, 2024 12:49 28m 5s
Call hydrolysis function (still doesn't exist)
CI #6119: Commit 622c70d pushed by alongd
November 6, 2024 12:12 29m 23s hydrolysis
November 6, 2024 12:12 29m 23s
WELL_GAP
CI #6118: Commit 2045c2b pushed by JintaoWu98
November 6, 2024 07:31 1h 45m 56s pv_plot
November 6, 2024 07:31 1h 45m 56s
CI
CI #6117: Scheduled
November 6, 2024 01:04 23m 6s main
November 6, 2024 01:04 23m 6s
CI
CI #6116: Scheduled
November 5, 2024 01:04 2h 3m 16s main
November 5, 2024 01:04 2h 3m 16s
CodeQL
CodeQL #1168: Scheduled
November 4, 2024 20:48 2m 31s main
November 4, 2024 20:48 2m 31s
Define conformer single point calculation after optimization (#766)
CI #6115: Commit f20c453 pushed by alongd
November 4, 2024 06:20 1h 56m 10s main
November 4, 2024 06:20 1h 56m 10s
Define conformer single point calculation after optimization (#766)
Update cache #165: Commit f20c453 pushed by alongd
November 4, 2024 06:20 2m 19s main
November 4, 2024 06:20 2m 19s
Define conformer single point calculation after optimization (#766)
github pages #455: Commit f20c453 pushed by alongd
November 4, 2024 06:20 25m 59s main
November 4, 2024 06:20 25m 59s
Define conformer single point calculation after optimization (#766)
CodeQL #1167: Commit f20c453 pushed by alongd
November 4, 2024 06:20 2m 22s main
November 4, 2024 06:20 2m 22s
CI
CI #6114: Scheduled
November 4, 2024 01:07 1h 54m 33s main
November 4, 2024 01:07 1h 54m 33s
Define conformer single point calculation after optimization
Labeler #1523: Pull request #766 synchronize by JintaoWu98
November 3, 2024 11:34 11s conf_opt_level
November 3, 2024 11:34 11s
Define conformer single point calculation after optimization
CodeQL #1166: Pull request #766 synchronize by JintaoWu98
November 3, 2024 11:34 2m 23s conf_opt_level
November 3, 2024 11:34 2m 23s