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CI #6111: Scheduled
November 3, 2024 01:10 1h 58m 2s main
November 3, 2024 01:10 1h 58m 2s
Define conformer single point calculation after optimization
CI #6110: Pull request #766 synchronize by JintaoWu98
November 2, 2024 12:17 1h 53m 57s conf_opt_level
November 2, 2024 12:17 1h 53m 57s
Consistency in restart and source files
CI #6109: Commit 74e8d50 pushed by JintaoWu98
November 2, 2024 12:17 1h 54m 53s conf_opt_level
November 2, 2024 12:17 1h 54m 53s
Define conformer single point calculation after optimization
CI #6108: Pull request #766 synchronize by JintaoWu98
November 2, 2024 08:35 1h 53m 17s conf_opt_level
November 2, 2024 08:35 1h 53m 17s
f!
CI #6107: Commit 281fa05 pushed by JintaoWu98
November 2, 2024 08:34 1h 52m 56s conf_opt_level
November 2, 2024 08:34 1h 52m 56s
CI
CI #6106: Scheduled
November 2, 2024 01:04 1h 53m 51s main
November 2, 2024 01:04 1h 53m 51s
Merge remote-tracking branch 'origin/NMD' into crest_nmd
CI #6105: Commit e1e5801 pushed by calvinp0
November 1, 2024 12:34 2m 3s crest_nmd
November 1, 2024 12:34 2m 3s
CI
CI #6104: Scheduled
November 1, 2024 01:11 3m 21s main
November 1, 2024 01:11 3m 21s
Added a module for working with RMG reaction families
CI #6103: Pull request #754 synchronize by alongd
October 31, 2024 19:37 21m 9s reaction_families
October 31, 2024 19:37 21m 9s
f! engine
CI #6102: Commit 7d65d10 pushed by alongd
October 31, 2024 19:37 20m 55s reaction_families
October 31, 2024 19:37 20m 55s
Remove NoREFTOPO
CI #6101: Commit 0a270b3 pushed by calvinp0
October 31, 2024 15:31 1h 54m 46s crest
October 31, 2024 15:31 1h 54m 46s
Changing CREST logic
CI #6100: Commit 00e15e9 pushed by calvinp0
October 31, 2024 09:51 1h 53m 13s crest
October 31, 2024 09:51 1h 53m 13s
CI
CI #6099: Scheduled
October 31, 2024 01:06 1h 52m 56s main
October 31, 2024 01:06 1h 52m 56s
Logs
CI #6098: Commit 509b6e8 pushed by calvinp0
October 30, 2024 21:28 1h 54m 43s crest
October 30, 2024 21:28 1h 54m 43s
Added a module for working with RMG reaction families
CI #6097: Pull request #754 synchronize by alongd
October 30, 2024 10:44 22m 53s reaction_families
October 30, 2024 10:44 22m 53s
Added add_atom_to_zmat()
CI #6096: Commit e5d7a48 pushed by alongd
October 30, 2024 10:44 22m 6s reaction_families
October 30, 2024 10:44 22m 6s
CI
CI #6095: Scheduled
October 30, 2024 01:06 20m 33s main
October 30, 2024 01:06 20m 33s
CI
CI #6094: Scheduled
October 29, 2024 01:07 1h 56m 0s main
October 29, 2024 01:07 1h 56m 0s
Fix the normal mode displacement TS check
CI #6093: Pull request #768 review_requested by alongd
October 28, 2024 19:01 1h 53m 0s nmd
nmd
October 28, 2024 19:01 1h 53m 0s
Fix the normal mode displacement TS check
CI #6092: Pull request #768 synchronize by alongd
October 28, 2024 11:54 1h 56m 2s nmd
nmd
October 28, 2024 11:54 1h 56m 2s
Updated TS checks in the arkane module
CI #6091: Commit 06254f9 pushed by alongd
October 28, 2024 11:54 1h 54m 49s nmd
nmd
October 28, 2024 11:54 1h 54m 49s
Fix the normal mode displacement TS check
CI #6090: Pull request #768 synchronize by alongd
October 28, 2024 08:23 1h 54m 42s nmd
nmd
October 28, 2024 08:23 1h 54m 42s
f c
CI #6089: Commit 3a55c4d pushed by alongd
October 28, 2024 08:23 1h 55m 6s nmd
nmd
October 28, 2024 08:23 1h 55m 6s
Fix the normal mode displacement TS check
CI #6088: Pull request #768 synchronize by alongd
October 28, 2024 02:17 1h 53m 33s nmd
nmd
October 28, 2024 02:17 1h 53m 33s
Tests: Adaptations to trsh tests
CI #6087: Commit 1337c95 pushed by alongd
October 28, 2024 02:17 21m 17s nmd
nmd
October 28, 2024 02:17 21m 17s
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