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Added assign_frequency_scale_factor() to Level
Labeler #1411: Pull request #750 synchronize by alongd
July 4, 2024 19:31 11s freq_factors
July 4, 2024 19:31 11s
Fixed ase to version 3.22.1
Labeler #1410: Pull request #755 opened by kfir4444
July 3, 2024 09:38 10s ase_fix_2
July 3, 2024 09:38 10s
Added a module for working with RMG reaction families
Labeler #1409: Pull request #754 synchronize by alongd
July 3, 2024 05:16 12s reaction_families
July 3, 2024 05:16 12s
Added assign_frequency_scale_factor() to Level
Labeler #1408: Pull request #750 synchronize by alongd
July 3, 2024 04:44 11s freq_factors
July 3, 2024 04:44 11s
Added a module for working with RMG reaction families
Labeler #1407: Pull request #754 synchronize by alongd
July 2, 2024 19:38 11s reaction_families
July 2, 2024 19:38 11s
Modified MRCI implementation in Molpro and Orca adapters
Labeler #1406: Pull request #746 synchronize by alongd
July 2, 2024 19:35 12s mrci
July 2, 2024 19:35 12s
Added a module for working with RMG reaction families
Labeler #1405: Pull request #754 synchronize by alongd
July 2, 2024 19:33 13s reaction_families
July 2, 2024 19:33 13s
Added a module for working with RMG reaction families
Labeler #1404: Pull request #754 synchronize by alongd
July 2, 2024 19:33 10s reaction_families
July 2, 2024 19:33 10s
Don't consider atoms in a ring as distinct groups for symmetry
Labeler #1403: Pull request #752 synchronize by alongd
July 2, 2024 16:42 11s ch3_symm_tor
July 2, 2024 16:42 11s
Added a module for working with RMG reaction families
Labeler #1402: Pull request #754 synchronize by alongd
July 2, 2024 16:41 12s reaction_families
July 2, 2024 16:41 12s
Added assign_frequency_scale_factor() to Level
Labeler #1401: Pull request #750 synchronize by alongd
July 2, 2024 16:27 11s freq_factors
July 2, 2024 16:27 11s
Modified MRCI implementation in Molpro and Orca adapters
Labeler #1400: Pull request #746 synchronize by alongd
July 2, 2024 16:26 15s mrci
July 2, 2024 16:26 15s
Added assign_frequency_scale_factor() to Level
Labeler #1399: Pull request #750 synchronize by alongd
July 2, 2024 15:52 15s freq_factors
July 2, 2024 15:52 15s
Modified MRCI implementation in Molpro and Orca adapters
Labeler #1398: Pull request #746 synchronize by alongd
July 2, 2024 09:16 13s mrci
July 2, 2024 09:16 13s
Don't run freq for IRC species
Labeler #1397: Pull request #749 synchronize by alongd
July 2, 2024 09:16 18s no_freq_irc
July 2, 2024 09:16 18s
Don't consider atoms in a ring as distinct groups for symmetry
Labeler #1395: Pull request #752 synchronize by alongd
July 2, 2024 09:13 13s ch3_symm_tor
July 2, 2024 09:13 13s
Change ase version
Labeler #1394: Pull request #753 opened by kfir4444
July 2, 2024 05:30 11s ase_version
July 2, 2024 05:30 11s
Modified MRCI implementation in Molpro and Orca adapters
Labeler #1393: Pull request #746 synchronize by kfir4444
July 1, 2024 12:08 18s mrci
July 1, 2024 12:08 18s
Don't consider atoms in a ring as distinct groups for symmetry
Labeler #1392: Pull request #752 opened by alongd
June 30, 2024 09:05 13s ch3_symm_tor
June 30, 2024 09:05 13s
Reduce clutter in restart dict
Labeler #1391: Pull request #751 synchronize by alongd
June 29, 2024 11:21 10s input_defaults
June 29, 2024 11:21 10s
Don't run freq for IRC species
Labeler #1390: Pull request #749 synchronize by alongd
June 29, 2024 08:44 11s no_freq_irc
June 29, 2024 08:44 11s
Reduce clutter in restart dict
Labeler #1389: Pull request #751 synchronize by alongd
June 29, 2024 08:29 11s input_defaults
June 29, 2024 08:29 11s
Reduce clutter in restart dict
Labeler #1388: Pull request #751 synchronize by alongd
June 29, 2024 06:30 10s input_defaults
June 29, 2024 06:30 10s
Reduce clutter in restart dict
Labeler #1387: Pull request #751 synchronize by alongd
June 28, 2024 21:54 12s input_defaults
June 28, 2024 21:54 12s