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Added freq scaling factor for wb97m-v/def2-tzvp Continuous Integration #1157: Commit 336c12b pushed by alongd
July 31, 2023 11:09 37m 37s wb97mv
wb97mv
July 31, 2023 11:09 37m 37s
NH3 Continuous Integration #1156: Commit a76f12a pushed by alongd
July 31, 2023 11:08 36m 34s nh3
nh3
July 31, 2023 11:08 36m 34s
NH3 Continuous Integration #1155: Commit df3de7a pushed by alongd
July 28, 2023 17:19 31m 15s nh3
nh3
July 28, 2023 17:19 31m 15s
NH3 Continuous Integration #1154: Commit 0ce4eb9 pushed by alongd
July 24, 2023 19:02 36m 44s nh3
nh3
July 24, 2023 19:02 36m 44s
Added freq scaling factor for wb97m-v/def2-tzvp Continuous Integration #1153: Commit 885f91b pushed by alongd
July 24, 2023 17:17 33m 47s wb97mv
wb97mv
July 24, 2023 17:17 33m 47s
Added freq scaling factor for wb97m-v//def2-tzvp Continuous Integration #1152: Commit 7c1ad61 pushed by alongd
July 24, 2023 17:15 30m 50s wb97mv
wb97mv
July 24, 2023 17:15 30m 50s
NH3 Continuous Integration #1151: Commit 6cbe865 pushed by alongd
July 24, 2023 17:12 39m 1s nh3
nh3
July 24, 2023 17:12 39m 1s
fixed A units for bimolecular rxns by multiplying by avgadro number Continuous Integration #1150: Commit cb94f41 pushed by NellyMitnik
July 24, 2023 09:21 28m 58s Furfuryl
Furfuryl
July 24, 2023 09:21 28m 58s
f NH3 Continuous Integration #1149: Commit 31dbc8d pushed by alongd
July 23, 2023 03:07 43m 10s nh3
nh3
July 23, 2023 03:07 43m 10s
f Continuous Integration #1148: Commit 6515350 pushed by alongd
July 22, 2023 03:47 32m 15s api_db
api_db
July 22, 2023 03:47 32m 15s
added libs Continuous Integration #1147: Commit fe89c48 pushed by NellyMitnik
July 18, 2023 07:27 33m 19s Furfuryl
Furfuryl
July 18, 2023 07:27 33m 19s
Temp: Use Py branch for tests Continuous Integration #1146: Commit 3dd4b92 pushed by rwest
July 15, 2023 19:18 31m 58s update_atom_enthalpies
update_atom_enthalpies
July 15, 2023 19:18 31m 58s
f! NH3 Continuous Integration #1145: Commit baffbd5 pushed by alongd
July 7, 2023 08:04 32m 10s nh3
nh3
July 7, 2023 08:04 32m 10s
f! NH3 Continuous Integration #1144: Commit 0a95f97 pushed by alongd
July 7, 2023 05:06 29m 55s nh3
nh3
July 7, 2023 05:06 29m 55s
f! NH3 Continuous Integration #1143: Commit 0b14f3e pushed by alongd
July 6, 2023 20:58 33m 29s nh3
nh3
July 6, 2023 20:58 33m 29s
f! NH3 Continuous Integration #1142: Commit a4204de pushed by alongd
July 6, 2023 17:52 31m 33s nh3
nh3
July 6, 2023 17:52 31m 33s
Added QChem LoT - wb97x-d/def2-tzvp Continuous Integration #1141: Commit 1df6195 pushed by calvinp0
July 5, 2023 12:18 31m 49s qchem_data
qchem_data
July 5, 2023 12:18 31m 49s
Update CI.yml Continuous Integration #1140: Commit 9a564d6 pushed by JacksonBurns
June 28, 2023 19:27 3m 56s regression-to-database
regression-to-database
June 28, 2023 19:27 3m 56s
pass PR branch name through to the resuable workflow Continuous Integration #1139: Commit 113cb53 pushed by JacksonBurns
June 27, 2023 13:11 Startup failure regression-to-database
regression-to-database
June 27, 2023 13:11 Startup failure
removed rxns comments that started with the word fit Continuous Integration #1138: Commit 7a7f8c7 pushed by NellyMitnik
June 27, 2023 05:42 29m 36s C6H5_C4H4_Mebel_temp_fix
C6H5_C4H4_Mebel_temp_fix
June 27, 2023 05:42 29m 36s
removed rxns comments that started with the word fit Continuous Integration #1137: Commit 701b16a pushed by NellyMitnik
June 26, 2023 13:03 31m 9s C6H5_C4H4_Mebel_temp_fix
C6H5_C4H4_Mebel_temp_fix
June 26, 2023 13:03 31m 9s
Merge pull request #615 from ReactionMechanismGenerator/updatePNL Continuous Integration #1136: Commit 62bf75a pushed by NellyMitnik
June 26, 2023 12:58 31m 40s C6H5_C4H4_Mebel_temp_fix
C6H5_C4H4_Mebel_temp_fix
June 26, 2023 12:58 31m 40s
remove furfuryl from training Continuous Integration #1135: Commit aff6241 pushed by NellyMitnik
June 26, 2023 12:42 37m 47s C6H5_C4H4_Mebel_fix
C6H5_C4H4_Mebel_fix
June 26, 2023 12:42 37m 47s
allow manual run of CI Continuous Integration #1134: Commit 5650bd3 pushed by JacksonBurns
June 20, 2023 03:00 36s regression-to-database
regression-to-database
June 20, 2023 03:00 36s
rename job to build-and-test-linux for repo expectation Continuous Integration #1133: Commit 0e19da1 pushed by JacksonBurns
June 19, 2023 21:18 Failure regression-to-database
regression-to-database
June 19, 2023 21:18 Failure
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