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Modified MRCI implementation in Molpro and Orca adapters Labeler #1461: Pull request #746 synchronize by alongd
August 19, 2024 12:07 15s mrci
mrci
August 19, 2024 12:07 15s
Modified MRCI implementation in Molpro and Orca adapters Labeler #1460: Pull request #746 synchronize by alongd
August 19, 2024 11:54 16s mrci
mrci
August 19, 2024 11:54 16s
Modified MRCI implementation in Molpro and Orca adapters Labeler #1459: Pull request #746 synchronize by alongd
August 19, 2024 10:43 13s mrci
mrci
August 19, 2024 10:43 13s
Avoid crushing when can't trsh scan Labeler #1458: Pull request #763 opened by alongd
August 18, 2024 07:16 11s fix_crush_in_trsh_quality_scan
fix_crush_in_trsh_quality_scan
August 18, 2024 07:16 11s
Added an example for using Mockter Labeler #1457: Pull request #762 synchronize by calvinp0
August 15, 2024 11:53 14s mockter_example
mockter_example
August 15, 2024 11:53 14s
Gaussian unconverge trsh Labeler #1456: Pull request #758 synchronize by calvinp0
August 12, 2024 09:30 14s gaussian_unconverge_trsh
gaussian_unconverge_trsh
August 12, 2024 09:30 14s
Added an example for using Mockter Labeler #1455: Pull request #762 opened by alongd
August 12, 2024 03:12 13s mockter_example
mockter_example
August 12, 2024 03:12 13s
Gaussian unconverge trsh Labeler #1454: Pull request #758 synchronize by calvinp0
August 11, 2024 21:04 15s gaussian_unconverge_trsh
gaussian_unconverge_trsh
August 11, 2024 21:04 15s
Gaussian unconverge trsh Labeler #1453: Pull request #758 synchronize by calvinp0
August 11, 2024 20:34 12s gaussian_unconverge_trsh
gaussian_unconverge_trsh
August 11, 2024 20:34 12s
Added Mockter - a dummy job adapter for testing and debug Labeler #1452: Pull request #759 synchronize by alongd
August 11, 2024 18:35 11s mockter
mockter
August 11, 2024 18:35 11s
Increasing opt maxcycles for fine opt Labeler #1451: Pull request #761 opened by calvinp0
August 11, 2024 15:50 10s fine_maxcycle
fine_maxcycle
August 11, 2024 15:50 10s
Gaussian unconverge trsh Labeler #1450: Pull request #758 synchronize by calvinp0
August 11, 2024 15:31 10s gaussian_unconverge_trsh
gaussian_unconverge_trsh
August 11, 2024 15:31 10s
Gaussian unconverge trsh Labeler #1449: Pull request #758 synchronize by calvinp0
August 11, 2024 14:13 11s gaussian_unconverge_trsh
gaussian_unconverge_trsh
August 11, 2024 14:13 11s
Gaussian unconverge trsh Labeler #1448: Pull request #758 synchronize by calvinp0
August 11, 2024 14:00 15s gaussian_unconverge_trsh
gaussian_unconverge_trsh
August 11, 2024 14:00 15s
Gaussian unconverge trsh Labeler #1447: Pull request #758 synchronize by calvinp0
August 11, 2024 13:02 12s gaussian_unconverge_trsh
gaussian_unconverge_trsh
August 11, 2024 13:02 12s
Use output consistently throughout main Labeler #1446: Pull request #760 opened by alongd
August 11, 2024 12:09 12s output
output
August 11, 2024 12:09 12s
Added Mockter - a dummy job adapter for testing and debug Labeler #1445: Pull request #759 synchronize by alongd
August 11, 2024 06:09 16s mockter
mockter
August 11, 2024 06:09 16s
Added Mockter - a dummy job adapter for testing and debug Labeler #1444: Pull request #759 synchronize by alongd
August 11, 2024 05:41 11s mockter
mockter
August 11, 2024 05:41 11s
Added Mockter - a dummy job adapter for testing and debug Labeler #1443: Pull request #759 synchronize by alongd
August 10, 2024 06:43 26s mockter
mockter
August 10, 2024 06:43 26s
Added Mockter - a dummy job adapter for testing and debug Labeler #1442: Pull request #759 opened by alongd
August 10, 2024 06:34 11s mockter
mockter
August 10, 2024 06:34 11s
Modified MRCI implementation in Molpro and Orca adapters Labeler #1441: Pull request #746 synchronize by alongd
August 9, 2024 19:31 13s mrci
mrci
August 9, 2024 19:31 13s
Added a module for working with RMG reaction families Labeler #1440: Pull request #754 synchronize by alongd
August 8, 2024 07:56 14s reaction_families
reaction_families
August 8, 2024 07:56 14s
Gaussian unconverge trsh Labeler #1439: Pull request #758 synchronize by calvinp0
August 7, 2024 14:15 12s gaussian_unconverge_trsh
gaussian_unconverge_trsh
August 7, 2024 14:15 12s
Gaussian unconverge trsh Labeler #1438: Pull request #758 synchronize by calvinp0
August 7, 2024 09:47 20s gaussian_unconverge_trsh
gaussian_unconverge_trsh
August 7, 2024 09:47 20s
Gaussian unconverge trsh Labeler #1437: Pull request #758 synchronize by calvinp0
August 7, 2024 09:45 13s gaussian_unconverge_trsh
gaussian_unconverge_trsh
August 7, 2024 09:45 13s