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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
CI #6017: Pull request #768 opened by alongd
October 7, 2024 10:02 1h 44m 57s nmd
nmd
October 7, 2024 10:02 1h 44m 57s
Fix the normal mode displacement TS check
Labeler #1506: Pull request #768 opened by alongd
October 7, 2024 10:02 15s nmd
nmd
October 7, 2024 10:02 15s
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
Implement the NMD check in TS check
CI #6016: Commit fec5b36 pushed by alongd
October 7, 2024 10:02 1h 44m 39s nmd
nmd
October 7, 2024 10:02 1h 44m 39s
Tests: NMD check
CI #6015: Commit c102580 pushed by alongd
October 7, 2024 09:54 23m 17s nmd
nmd
October 7, 2024 09:54 23m 17s
Define conformer single point calculation after optimization
CI #6014: Pull request #766 synchronize by JintaoWu98
October 7, 2024 08:20 6h 0m 23s conf_opt_level
October 7, 2024 08:20 6h 0m 23s
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
Define conformer single point calculation after optimization
Labeler #1505: Pull request #766 synchronize by JintaoWu98
October 7, 2024 08:20 14s conf_opt_level
October 7, 2024 08:20 14s
Formatting
CI #6013: Commit 17e1b1a pushed by JintaoWu98
October 7, 2024 08:18 6h 0m 25s conf_opt_level
October 7, 2024 08:18 6h 0m 25s
CI
CI #6012: Scheduled
October 7, 2024 01:07 21m 30s main
October 7, 2024 01:07 21m 30s
CI
CI #6011: Scheduled
October 6, 2024 01:09 1h 52m 40s main
October 6, 2024 01:09 1h 52m 40s
CI
CI #6010: Scheduled
October 5, 2024 01:04 1h 53m 55s main
October 5, 2024 01:04 1h 53m 55s
CI
CI #6009: Scheduled
October 4, 2024 01:04 1h 54m 49s main
October 4, 2024 01:04 1h 54m 49s
Modified MRCI implementation in Molpro and Orca adapters
CI #6008: Pull request #746 synchronize by alongd
October 3, 2024 20:13 1h 54m 22s mrci
October 3, 2024 20:13 1h 54m 22s
Modified MRCI implementation in Molpro and Orca adapters
Labeler #1504: Pull request #746 synchronize by alongd
October 3, 2024 20:13 13s mrci
October 3, 2024 20:13 13s
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
Tests: Molpro input files
CI #6007: Commit 2876e24 pushed by alongd
October 3, 2024 20:13 19m 57s mrci
October 3, 2024 20:13 19m 57s
redefine conformer_jobs_done
CI #6006: Commit 2931b95 pushed by JintaoWu98
October 3, 2024 08:41 6h 0m 25s conf_opt_level_local3
October 3, 2024 08:41 6h 0m 25s
redefine conformer_jobs_done
CI #6005: Commit 1de1c44 pushed by JintaoWu98
October 3, 2024 08:20 1h 55m 39s conf_opt_level_local3
October 3, 2024 08:20 1h 55m 39s
CI
CI #6004: Scheduled
October 3, 2024 01:05 1h 55m 19s main
October 3, 2024 01:05 1h 55m 19s
parser parses Orca input file
CI #6003: Commit babdbf9 pushed by JintaoWu98
October 2, 2024 01:13 1h 42m 38s conf_opt_level_local3
October 2, 2024 01:13 1h 42m 38s
CI
CI #6002: Scheduled
October 2, 2024 01:04 1h 51m 15s main
October 2, 2024 01:04 1h 51m 15s
Docker Image Build and Push
Docker Image Build and Push #86: Scheduled
October 1, 2024 01:18 2m 24s main
October 1, 2024 01:18 2m 24s
CI
CI #6001: Scheduled
October 1, 2024 01:11 3m 26s main
October 1, 2024 01:11 3m 26s