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CodeQL
CodeQL #1161: Scheduled
October 28, 2024 20:48 3m 33s main
October 28, 2024 20:48 3m 33s
Fix the normal mode displacement TS check
CodeQL #1160: Pull request #768 synchronize by alongd
October 28, 2024 11:54 3m 21s nmd
nmd
October 28, 2024 11:54 3m 21s
Fix the normal mode displacement TS check
CodeQL #1159: Pull request #768 synchronize by alongd
October 28, 2024 08:23 3m 22s nmd
nmd
October 28, 2024 08:23 3m 22s
Fix the normal mode displacement TS check
CodeQL #1158: Pull request #768 synchronize by alongd
October 28, 2024 02:17 3m 17s nmd
nmd
October 28, 2024 02:17 3m 17s
Fix the normal mode displacement TS check
CodeQL #1157: Pull request #768 synchronize by alongd
October 28, 2024 02:09 3m 19s nmd
nmd
October 28, 2024 02:09 3m 19s
Fix the normal mode displacement TS check
CodeQL #1156: Pull request #768 synchronize by alongd
October 27, 2024 19:44 3m 14s nmd
nmd
October 27, 2024 19:44 3m 14s
Fix the normal mode displacement TS check
CodeQL #1155: Pull request #768 synchronize by alongd
October 26, 2024 21:04 3m 19s nmd
nmd
October 26, 2024 21:04 3m 19s
Fix the normal mode displacement TS check
CodeQL #1154: Pull request #768 synchronize by alongd
October 26, 2024 21:02 3m 24s nmd
nmd
October 26, 2024 21:02 3m 24s
CodeQL
CodeQL #1153: Scheduled
October 21, 2024 20:48 3m 6s main
October 21, 2024 20:48 3m 6s
Fix the normal mode displacement TS check
CodeQL #1152: Pull request #768 synchronize by alongd
October 19, 2024 13:01 3m 8s nmd
nmd
October 19, 2024 13:01 3m 8s
Define conformer single point calculation after optimization
CodeQL #1151: Pull request #766 synchronize by JintaoWu98
October 18, 2024 10:25 3m 23s conf_opt_level
October 18, 2024 10:25 3m 23s
Define conformer single point calculation after optimization
CodeQL #1150: Pull request #766 synchronize by JintaoWu98
October 17, 2024 09:10 3m 22s conf_opt_level
October 17, 2024 09:10 3m 22s
CodeQL
CodeQL #1149: Scheduled
October 14, 2024 20:48 3m 36s main
October 14, 2024 20:48 3m 36s
Fix the normal mode displacement TS check
CodeQL #1148: Pull request #768 synchronize by alongd
October 14, 2024 11:40 3m 25s nmd
nmd
October 14, 2024 11:40 3m 25s
Added a module for working with RMG reaction families
CodeQL #1147: Pull request #754 synchronize by alongd
October 10, 2024 09:40 3m 23s reaction_families
October 10, 2024 09:40 3m 23s
CodeQL
CodeQL #1146: Scheduled
October 7, 2024 20:48 3m 42s main
October 7, 2024 20:48 3m 42s
Fix the normal mode displacement TS check
CodeQL #1145: Pull request #768 opened by alongd
October 7, 2024 10:02 3m 7s nmd
nmd
October 7, 2024 10:02 3m 7s
Define conformer single point calculation after optimization
CodeQL #1144: Pull request #766 synchronize by JintaoWu98
October 7, 2024 08:20 3m 2s conf_opt_level
October 7, 2024 08:20 3m 2s
Modified MRCI implementation in Molpro and Orca adapters
CodeQL #1143: Pull request #746 synchronize by alongd
October 3, 2024 20:13 3m 3s mrci
October 3, 2024 20:13 3m 3s
CodeQL
CodeQL #1142: Scheduled
September 30, 2024 20:48 3m 17s main
September 30, 2024 20:48 3m 17s
Define set_rdkit_ring_dihedrals and make test
CodeQL #1141: Pull request #767 opened by JintaoWu98
September 29, 2024 09:12 2m 51s ring_transform
September 29, 2024 09:12 2m 51s
Define conformer single point calculation after optimization
CodeQL #1140: Pull request #766 synchronize by JintaoWu98
September 26, 2024 04:17 3m 12s conf_opt_level
September 26, 2024 04:17 3m 12s
Define conformer single point calculation after optimization
CodeQL #1139: Pull request #766 synchronize by JintaoWu98
September 25, 2024 08:46 3m 21s conf_opt_level
September 25, 2024 08:46 3m 21s
CodeQL
CodeQL #1138: Scheduled
September 23, 2024 20:48 3m 26s main
September 23, 2024 20:48 3m 26s
CodeQL
CodeQL #1137: Scheduled
September 16, 2024 20:48 3m 42s main
September 16, 2024 20:48 3m 42s