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conda_build.yml
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141 workflow runs

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Add environment validation and error handling to RMS installation script Conda Build #193: Pull request #2828 synchronize by ssun30
24m 30s ssun30:fix_install_rms
ssun30:fix_install_rms
24m 30s
Load spin multiplicity into the Arkane Species Molecule if give explicitly in the main Arkane input file Conda Build #192: Pull request #2854 opened by alongd
19m 48s arkane_spc_mult_input
arkane_spc_mult_input
19m 48s
Add environment validation and error handling to RMS installation script Conda Build #191: Pull request #2828 synchronize by ssun30
1h 20m 25s ssun30:fix_install_rms
ssun30:fix_install_rms
1h 20m 25s
Added completedNetworks option to prevent exploring PDep networks that are complete. Conda Build #190: Pull request #2853 synchronize by rwest
35m 51s feat/complete_network
feat/complete_network
35m 51s
Use rdkit for SSSR and RCs (bug fix + Python upgrade) Conda Build #189: Pull request #2796 synchronize by JacksonBurns
1h 12m 6s feat/rdkit_sssr
feat/rdkit_sssr
1h 12m 6s
Added completedNetworks option to prevent exploring PDep networks that are complete. Conda Build #188: Pull request #2853 synchronize by rwest
27m 30s feat/complete_network
feat/complete_network
27m 30s
Added completedNetworks option to prevent exploring PDep networks that are complete. Conda Build #187: Pull request #2853 opened by rwest
2m 7s feat/complete_network
feat/complete_network
2m 7s
Use rdkit for SSSR and RCs (bug fix + Python upgrade) Conda Build #186: Pull request #2796 synchronize by rwest
1h 52m 20s feat/rdkit_sssr
feat/rdkit_sssr
1h 52m 20s
Add environment validation and error handling to RMS installation script Conda Build #185: Pull request #2828 synchronize by ssun30
28m 35s ssun30:fix_install_rms
ssun30:fix_install_rms
28m 35s
Expanding the unit testing of ring decomposition features. Conda Build #184: Pull request #2852 opened by rwest
23m 56s feat/ringtests
feat/ringtests
23m 56s
fix reactionLibraries path Conda Build #183: Pull request #2851 opened by bjkreitz
23m 12s cat_example
cat_example
23m 12s
Coverage-dependent thermochemistry for catalysis Conda Build #182: Pull request #2646 synchronize by bjkreitz
34m 37s 12Chao:cov_dep_therm
12Chao:cov_dep_therm
34m 37s
Coverage-dependent thermochemistry for catalysis Conda Build #181: Pull request #2646 synchronize by bjkreitz
32m 24s 12Chao:cov_dep_therm
12Chao:cov_dep_therm
32m 24s
Coverage-dependent thermochemistry for catalysis Conda Build #180: Pull request #2646 synchronize by bjkreitz
38m 8s 12Chao:cov_dep_therm
12Chao:cov_dep_therm
38m 8s
Fix E0 energy_correction in pressure dependence calculations. Conda Build #179: Pull request #2835 synchronize by rwest
3h 14m 22s e0fix
e0fix
3h 14m 22s
Use rdkit for SSSR and RCs (bug fix + Python upgrade) Conda Build #178: Pull request #2796 synchronize by rwest
30m 51s feat/rdkit_sssr
feat/rdkit_sssr
30m 51s
Use rdkit for SSSR and RCs (bug fix + Python upgrade) Conda Build #177: Pull request #2796 synchronize by rwest
29m 53s feat/rdkit_sssr
feat/rdkit_sssr
29m 53s
Use rdkit for SSSR and RCs (bug fix + Python upgrade) Conda Build #176: Pull request #2796 synchronize by rwest
26m 30s feat/rdkit_sssr
feat/rdkit_sssr
26m 30s
Use rdkit for SSSR and RCs (bug fix + Python upgrade) Conda Build #175: Pull request #2796 synchronize by rwest
54m 16s feat/rdkit_sssr
feat/rdkit_sssr
54m 16s
Use rdkit for SSSR and RCs (bug fix + Python upgrade) Conda Build #174: Pull request #2796 synchronize by rwest
35m 43s feat/rdkit_sssr
feat/rdkit_sssr
35m 43s
Coverage-dependent thermochemistry for catalysis Conda Build #173: Pull request #2646 synchronize by bjkreitz
32m 25s 12Chao:cov_dep_therm
12Chao:cov_dep_therm
32m 25s
Use rdkit for SSSR and RCs (bug fix + Python upgrade) Conda Build #172: Pull request #2796 synchronize by rwest
44m 12s feat/rdkit_sssr
feat/rdkit_sssr
44m 12s
Use rdkit for SSSR and RCs (bug fix + Python upgrade) Conda Build #171: Pull request #2796 synchronize by rwest
2h 52m 52s feat/rdkit_sssr
feat/rdkit_sssr
2h 52m 52s
Use rdkit for SSSR and RCs (bug fix + Python upgrade) Conda Build #170: Pull request #2796 synchronize by rwest
1h 38m 36s feat/rdkit_sssr
feat/rdkit_sssr
1h 38m 36s
Fix E0 energy_correction in pressure dependence calculations. Conda Build #169: Pull request #2835 synchronize by rwest
1m 33s e0fix
e0fix
1m 33s