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Define conformer single point calculation after optimization Labeler #1523: Pull request #766 synchronize by JintaoWu98
November 3, 2024 11:34 11s conf_opt_level
conf_opt_level
November 3, 2024 11:34 11s
Define conformer single point calculation after optimization Labeler #1522: Pull request #766 synchronize by JintaoWu98
November 2, 2024 12:17 14s conf_opt_level
conf_opt_level
November 2, 2024 12:17 14s
Define conformer single point calculation after optimization Labeler #1521: Pull request #766 synchronize by JintaoWu98
November 2, 2024 08:35 12s conf_opt_level
conf_opt_level
November 2, 2024 08:35 12s
Added a module for working with RMG reaction families Labeler #1520: Pull request #754 synchronize by alongd
October 31, 2024 19:37 15s reaction_families
reaction_families
October 31, 2024 19:37 15s
Added a module for working with RMG reaction families Labeler #1519: Pull request #754 synchronize by alongd
October 30, 2024 10:44 13s reaction_families
reaction_families
October 30, 2024 10:44 13s
Fix the normal mode displacement TS check Labeler #1518: Pull request #768 synchronize by alongd
October 28, 2024 11:54 16s nmd
nmd
October 28, 2024 11:54 16s
Fix the normal mode displacement TS check Labeler #1517: Pull request #768 synchronize by alongd
October 28, 2024 08:23 15s nmd
nmd
October 28, 2024 08:23 15s
Fix the normal mode displacement TS check Labeler #1516: Pull request #768 synchronize by alongd
October 28, 2024 02:17 15s nmd
nmd
October 28, 2024 02:17 15s
Fix the normal mode displacement TS check Labeler #1515: Pull request #768 synchronize by alongd
October 28, 2024 02:09 16s nmd
nmd
October 28, 2024 02:09 16s
Fix the normal mode displacement TS check Labeler #1514: Pull request #768 synchronize by alongd
October 27, 2024 19:44 15s nmd
nmd
October 27, 2024 19:44 15s
Fix the normal mode displacement TS check Labeler #1513: Pull request #768 synchronize by alongd
October 26, 2024 21:04 12s nmd
nmd
October 26, 2024 21:04 12s
Fix the normal mode displacement TS check Labeler #1512: Pull request #768 synchronize by alongd
October 26, 2024 21:02 13s nmd
nmd
October 26, 2024 21:02 13s
Fix the normal mode displacement TS check Labeler #1511: Pull request #768 synchronize by alongd
October 19, 2024 13:01 14s nmd
nmd
October 19, 2024 13:01 14s
Define conformer single point calculation after optimization Labeler #1510: Pull request #766 synchronize by JintaoWu98
October 18, 2024 10:25 13s conf_opt_level
conf_opt_level
October 18, 2024 10:25 13s
Define conformer single point calculation after optimization Labeler #1509: Pull request #766 synchronize by JintaoWu98
October 17, 2024 09:10 11s conf_opt_level
conf_opt_level
October 17, 2024 09:10 11s
Fix the normal mode displacement TS check Labeler #1508: Pull request #768 synchronize by alongd
October 14, 2024 11:40 18s nmd
nmd
October 14, 2024 11:40 18s
Added a module for working with RMG reaction families Labeler #1507: Pull request #754 synchronize by alongd
October 10, 2024 09:40 15s reaction_families
reaction_families
October 10, 2024 09:40 15s
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
Define conformer single point calculation after optimization Labeler #1505: Pull request #766 synchronize by JintaoWu98
October 7, 2024 08:20 14s conf_opt_level
conf_opt_level
October 7, 2024 08:20 14s
Modified MRCI implementation in Molpro and Orca adapters Labeler #1504: Pull request #746 synchronize by alongd
October 3, 2024 20:13 13s mrci
mrci
October 3, 2024 20:13 13s
Define set_rdkit_ring_dihedrals and make test Labeler #1503: Pull request #767 opened by JintaoWu98
September 29, 2024 09:12 11s ring_transform
ring_transform
September 29, 2024 09:12 11s
Define conformer single point calculation after optimization Labeler #1502: Pull request #766 synchronize by JintaoWu98
September 26, 2024 04:17 11s conf_opt_level
conf_opt_level
September 26, 2024 04:17 11s
Define conformer single point calculation after optimization Labeler #1501: Pull request #766 synchronize by JintaoWu98
September 25, 2024 08:46 12s conf_opt_level
conf_opt_level
September 25, 2024 08:46 12s
Define conformer single point calculation after optimization Labeler #1500: Pull request #766 synchronize by JintaoWu98
September 16, 2024 11:08 15s conf_opt_level
conf_opt_level
September 16, 2024 11:08 15s
Define conformer single point calculation after optimization Labeler #1499: Pull request #766 synchronize by JintaoWu98
September 16, 2024 11:07 14s conf_opt_level
conf_opt_level
September 16, 2024 11:07 14s