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Gaussian Troubleshooting Cleanup
CodeQL #1095: Pull request #764 opened by calvinp0
August 19, 2024 20:08 2m 58s gauss_trsh_cleanup
August 19, 2024 20:08 2m 58s
Modified MRCI implementation in Molpro and Orca adapters
CodeQL #1094: Pull request #746 synchronize by alongd
August 19, 2024 16:46 3m 35s mrci
August 19, 2024 16:46 3m 35s
Modified MRCI implementation in Molpro and Orca adapters
CodeQL #1093: Pull request #746 synchronize by alongd
August 19, 2024 12:44 3m 31s mrci
August 19, 2024 12:44 3m 31s
Modified MRCI implementation in Molpro and Orca adapters
CodeQL #1092: Pull request #746 synchronize by alongd
August 19, 2024 12:29 3m 22s mrci
August 19, 2024 12:29 3m 22s
Modified MRCI implementation in Molpro and Orca adapters
CodeQL #1091: Pull request #746 synchronize by alongd
August 19, 2024 12:22 3m 25s mrci
August 19, 2024 12:22 3m 25s
Modified MRCI implementation in Molpro and Orca adapters
CodeQL #1090: Pull request #746 synchronize by alongd
August 19, 2024 12:07 3m 24s mrci
August 19, 2024 12:07 3m 24s
Modified MRCI implementation in Molpro and Orca adapters
CodeQL #1089: Pull request #746 synchronize by alongd
August 19, 2024 11:54 3m 17s mrci
August 19, 2024 11:54 3m 17s
Modified MRCI implementation in Molpro and Orca adapters
CodeQL #1088: Pull request #746 synchronize by alongd
August 19, 2024 10:43 3m 22s mrci
August 19, 2024 10:43 3m 22s
Avoid crushing when can't trsh scan (#763)
CodeQL #1087: Commit 8ba45be pushed by NellyMitnik
August 19, 2024 08:29 3m 41s main
August 19, 2024 08:29 3m 41s
Avoid crushing when can't trsh scan
CodeQL #1086: Pull request #763 opened by alongd
August 18, 2024 07:16 3m 26s fix_crush_in_trsh_quality_scan
August 18, 2024 07:16 3m 26s
Added an example for using Mockter (#762)
CodeQL #1085: Commit 8665b73 pushed by calvinp0
August 15, 2024 20:06 3m 32s main
August 15, 2024 20:06 3m 32s
Added an example for using Mockter
CodeQL #1084: Pull request #762 synchronize by calvinp0
August 15, 2024 11:53 3m 16s mockter_example
August 15, 2024 11:53 3m 16s
Gaussian unconverge trsh (#758)
CodeQL #1083: Commit 485eee4 pushed by calvinp0
August 15, 2024 11:53 3m 22s main
August 15, 2024 11:53 3m 22s
CodeQL
CodeQL #1082: Scheduled
August 12, 2024 20:48 3m 13s main
August 12, 2024 20:48 3m 13s
Gaussian unconverge trsh
CodeQL #1081: Pull request #758 synchronize by calvinp0
August 12, 2024 09:30 3m 14s gaussian_unconverge_trsh
August 12, 2024 09:30 3m 14s
Added an example for using Mockter
CodeQL #1080: Pull request #762 opened by alongd
August 12, 2024 03:12 2m 55s mockter_example
August 12, 2024 03:12 2m 55s
Gaussian unconverge trsh
CodeQL #1079: Pull request #758 synchronize by calvinp0
August 11, 2024 21:04 3m 10s gaussian_unconverge_trsh
August 11, 2024 21:04 3m 10s
Added Mockter - a dummy job adapter for testing and debug (#759)
CodeQL #1078: Commit 0bb9d9a pushed by calvinp0
August 11, 2024 21:03 3m 16s main
August 11, 2024 21:03 3m 16s
Gaussian unconverge trsh
CodeQL #1077: Pull request #758 synchronize by calvinp0
August 11, 2024 20:34 3m 22s gaussian_unconverge_trsh
August 11, 2024 20:34 3m 22s
Added Mockter - a dummy job adapter for testing and debug
CodeQL #1076: Pull request #759 synchronize by alongd
August 11, 2024 18:35 3m 12s mockter
August 11, 2024 18:35 3m 12s
Increasing opt maxcycles for fine opt
CodeQL #1075: Pull request #761 opened by calvinp0
August 11, 2024 15:50 3m 10s fine_maxcycle
August 11, 2024 15:50 3m 10s
Gaussian unconverge trsh
CodeQL #1074: Pull request #758 synchronize by calvinp0
August 11, 2024 15:31 3m 0s gaussian_unconverge_trsh
August 11, 2024 15:31 3m 0s
Gaussian unconverge trsh
CodeQL #1073: Pull request #758 synchronize by calvinp0
August 11, 2024 14:13 3m 17s gaussian_unconverge_trsh
August 11, 2024 14:13 3m 17s
Use output consistently throughout main (#760)
CodeQL #1072: Commit a3f79be pushed by calvinp0
August 11, 2024 14:12 3m 8s main
August 11, 2024 14:12 3m 8s
Gaussian unconverge trsh
CodeQL #1071: Pull request #758 synchronize by calvinp0
August 11, 2024 14:00 3m 7s gaussian_unconverge_trsh
August 11, 2024 14:00 3m 7s