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NH3 thermo and kinetic data additions Conda Build #61: Pull request #620 synchronize by alongd
July 27, 2024 10:09 3m 34s nh3
nh3
July 27, 2024 10:09 3m 34s
NH3 thermo and kinetic data additions Conda Build #60: Pull request #620 synchronize by alongd
July 24, 2024 12:39 3m 52s nh3
nh3
July 24, 2024 12:39 3m 52s
NH3 thermo and kinetic data additions Conda Build #59: Pull request #620 synchronize by alongd
July 22, 2024 18:16 3m 39s nh3
nh3
July 22, 2024 18:16 3m 39s
Remove reaction path degeneracy adjustments in surface families Conda Build #58: Pull request #655 synchronize by bjkreitz
July 22, 2024 17:37 3m 34s clean_kinetic_trees
clean_kinetic_trees
July 22, 2024 17:37 3m 34s
Remove reaction path degeneracy adjustments in surface families Conda Build #57: Pull request #655 synchronize by bjkreitz
July 22, 2024 17:25 3m 40s clean_kinetic_trees
clean_kinetic_trees
July 22, 2024 17:25 3m 40s
Remove duplicate reaction family Conda Build #56: Pull request #656 synchronize by bjkreitz
July 22, 2024 17:20 3m 25s remove_duplicate_fam
remove_duplicate_fam
July 22, 2024 17:20 3m 25s
NH3 thermo and kinetic data additions Conda Build #55: Pull request #620 synchronize by alongd
July 20, 2024 19:29 3m 37s nh3
nh3
July 20, 2024 19:29 3m 37s
Removes duplicate bad fits in the Benson Group Fitting Notebook Conda Build #54: Pull request #660 synchronize by ssun30
July 18, 2024 17:10 3m 21s ssun30:group_fit_script_patch
ssun30:group_fit_script_patch
July 18, 2024 17:10 3m 21s
Removes duplicate bad fits in the Benson Group Fitting Notebook Conda Build #53: Pull request #660 opened by ssun30
July 18, 2024 17:06 3m 29s ssun30:group_fit_script_patch
ssun30:group_fit_script_patch
July 18, 2024 17:06 3m 29s
NH3 thermo and kinetic data additions Conda Build #52: Pull request #620 synchronize by alongd
July 16, 2024 14:21 3m 48s nh3
nh3
July 16, 2024 14:21 3m 48s
NH3 thermo and kinetic data additions Conda Build #51: Pull request #620 synchronize by alongd
July 16, 2024 13:54 3m 32s nh3
nh3
July 16, 2024 13:54 3m 32s
removed rxns comments that started with the word fit Conda Build #50: Pull request #626 synchronize by alongd
July 16, 2024 11:25 3m 38s C6H5_C4H4_Mebel_temp_fix
C6H5_C4H4_Mebel_temp_fix
July 16, 2024 11:25 3m 38s
removed rxns comments that started with the word fit Conda Build #49: Pull request #626 synchronize by alongd
July 16, 2024 09:15 3m 35s C6H5_C4H4_Mebel_temp_fix
C6H5_C4H4_Mebel_temp_fix
July 16, 2024 09:15 3m 35s
Added freq scaling factor for wb97m-v/def2-tzvp Conda Build #48: Pull request #627 synchronize by alongd
July 16, 2024 09:15 3m 33s wb97mv
wb97mv
July 16, 2024 09:15 3m 33s
NH3 thermo and kinetic data additions Conda Build #47: Pull request #620 synchronize by alongd
July 16, 2024 09:15 3m 35s nh3
nh3
July 16, 2024 09:15 3m 35s
removed rxns comments that started with the word fit Conda Build #46: Pull request #626 synchronize by alongd
July 16, 2024 09:02 3m 38s C6H5_C4H4_Mebel_temp_fix
C6H5_C4H4_Mebel_temp_fix
July 16, 2024 09:02 3m 38s
Added freq scaling factor for wb97m-v/def2-tzvp Conda Build #45: Pull request #627 synchronize by alongd
July 16, 2024 09:01 3m 33s wb97mv
wb97mv
July 16, 2024 09:01 3m 33s
NH3 thermo and kinetic data additions Conda Build #44: Pull request #620 synchronize by alongd
July 16, 2024 08:59 3m 34s nh3
nh3
July 16, 2024 08:59 3m 34s
Added MRCI-F12+Q/cc-pVTZ-F12 AECs to Arkane Conda Build #43: Pull request #659 opened by alongd
July 15, 2024 10:41 3m 37s mrci_aec
mrci_aec
July 15, 2024 10:41 3m 37s
Remove reaction path degeneracy adjustments in surface families Conda Build #42: Pull request #655 synchronize by ChrisBNEU
July 11, 2024 13:10 4m 5s clean_kinetic_trees
clean_kinetic_trees
July 11, 2024 13:10 4m 5s
Fixed a potential infinite loop in the script for fitting Benson groups. Conda Build #41: Pull request #658 synchronize by rwest
July 9, 2024 19:19 3m 30s ssun30:group_fit_script_patch
ssun30:group_fit_script_patch
July 9, 2024 19:19 3m 30s
Fixed a potential infinite loop in the script for fitting Benson groups. Conda Build #40: Pull request #658 opened by ssun30
July 9, 2024 17:22 3m 21s ssun30:group_fit_script_patch
ssun30:group_fit_script_patch
July 9, 2024 17:22 3m 21s
Remove duplicate reaction family Conda Build #39: Pull request #656 opened by bjkreitz
June 28, 2024 15:37 3m 44s remove_duplicate_fam
remove_duplicate_fam
June 28, 2024 15:37 3m 44s
Remove reaction path degeneracy adjustments in surface families Conda Build #38: Pull request #655 synchronize by bjkreitz
June 25, 2024 19:33 3m 50s clean_kinetic_trees
clean_kinetic_trees
June 25, 2024 19:33 3m 50s
Remove reaction path degeneracy adjustments in surface families Conda Build #37: Pull request #655 opened by bjkreitz
June 25, 2024 19:32 3m 46s clean_kinetic_trees
clean_kinetic_trees
June 25, 2024 19:32 3m 46s