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Gaussian unconverge trsh
CodeQL #1070: Pull request #758 synchronize by calvinp0
August 11, 2024 13:02 3m 4s gaussian_unconverge_trsh
August 11, 2024 13:02 3m 4s
Use output consistently throughout main
CodeQL #1069: Pull request #760 opened by alongd
August 11, 2024 12:09 3m 5s output
August 11, 2024 12:09 3m 5s
Added Mockter - a dummy job adapter for testing and debug
CodeQL #1068: Pull request #759 synchronize by alongd
August 11, 2024 06:09 3m 13s mockter
August 11, 2024 06:09 3m 13s
Added Mockter - a dummy job adapter for testing and debug
CodeQL #1067: Pull request #759 synchronize by alongd
August 11, 2024 05:41 3m 7s mockter
August 11, 2024 05:41 3m 7s
Added Mockter - a dummy job adapter for testing and debug
CodeQL #1066: Pull request #759 synchronize by alongd
August 10, 2024 06:43 5m 10s mockter
August 10, 2024 06:43 5m 10s
Added Mockter - a dummy job adapter for testing and debug
CodeQL #1065: Pull request #759 opened by alongd
August 10, 2024 06:34 5m 17s mockter
August 10, 2024 06:34 5m 17s
Modified MRCI implementation in Molpro and Orca adapters
CodeQL #1064: Pull request #746 synchronize by alongd
August 9, 2024 19:31 3m 15s mrci
August 9, 2024 19:31 3m 15s
Added a module for working with RMG reaction families
CodeQL #1063: Pull request #754 synchronize by alongd
August 8, 2024 07:56 3m 6s reaction_families
August 8, 2024 07:56 3m 6s
Gaussian unconverge trsh
CodeQL #1062: Pull request #758 synchronize by calvinp0
August 7, 2024 14:15 3m 16s gaussian_unconverge_trsh
August 7, 2024 14:15 3m 16s
Gaussian unconverge trsh
CodeQL #1061: Pull request #758 synchronize by calvinp0
August 7, 2024 09:47 3m 7s gaussian_unconverge_trsh
August 7, 2024 09:47 3m 7s
Gaussian unconverge trsh
CodeQL #1060: Pull request #758 synchronize by calvinp0
August 7, 2024 09:45 3m 21s gaussian_unconverge_trsh
August 7, 2024 09:45 3m 21s
Gaussian unconverge trsh
CodeQL #1059: Pull request #758 opened by calvinp0
August 6, 2024 13:09 3m 24s gaussian_unconverge_trsh
August 6, 2024 13:09 3m 24s
CodeQL
CodeQL #1058: Scheduled
August 5, 2024 20:48 3m 16s main
August 5, 2024 20:48 3m 16s
Modified MRCI implementation in Molpro and Orca adapters
CodeQL #1057: Pull request #746 synchronize by alongd
August 1, 2024 21:45 3m 36s mrci
August 1, 2024 21:45 3m 36s
Modified MRCI implementation in Molpro and Orca adapters
CodeQL #1056: Pull request #746 synchronize by alongd
August 1, 2024 21:25 3m 43s mrci
August 1, 2024 21:25 3m 43s
Modified MRCI implementation in Molpro and Orca adapters
CodeQL #1055: Pull request #746 synchronize by alongd
August 1, 2024 21:05 3m 14s mrci
August 1, 2024 21:05 3m 14s
Modified MRCI implementation in Molpro and Orca adapters
CodeQL #1054: Pull request #746 synchronize by alongd
August 1, 2024 21:05 3m 6s mrci
August 1, 2024 21:05 3m 6s
CodeQL
CodeQL #1053: Scheduled
July 29, 2024 20:48 3m 43s main
July 29, 2024 20:48 3m 43s
Added a module for working with RMG reaction families
CodeQL #1052: Pull request #754 synchronize by alongd
July 29, 2024 11:53 3m 34s reaction_families
July 29, 2024 11:53 3m 34s
Modified MRCI implementation in Molpro and Orca adapters
CodeQL #1051: Pull request #746 synchronize by alongd
July 27, 2024 10:12 3m 42s mrci
July 27, 2024 10:12 3m 42s
Added assign_frequency_scale_factor() to Level (#750)
CodeQL #1050: Commit df19d8f pushed by alongd
July 27, 2024 10:12 3m 38s main
July 27, 2024 10:12 3m 38s
CodeQL
CodeQL #1049: Scheduled
July 22, 2024 20:48 3m 7s main
July 22, 2024 20:48 3m 7s
Added assign_frequency_scale_factor() to Level
CodeQL #1048: Pull request #750 synchronize by alongd
July 21, 2024 17:16 3m 0s freq_factors
July 21, 2024 17:16 3m 0s
Conf sampling (#757)
CodeQL #1047: Commit 08e7e93 pushed by alongd
July 21, 2024 13:28 3m 5s main
July 21, 2024 13:28 3m 5s
Conf sampling
CodeQL #1046: Pull request #757 synchronize by JintaoWu98
July 21, 2024 08:28 3m 3s conf_sampling
July 21, 2024 08:28 3m 3s