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Refactored reaction.py to add get_free_energy_of_non_charge_transfer_reaction for code reuse and circular dependency prevention Build Documentation #2886: Pull request #2810 synchronize by LekiaAnonim
10m 0s LekiaAnonim:main
LekiaAnonim:main
10m 0s
Build Documentation Build Documentation #2885: Scheduled
11m 23s main
main
11m 23s
Build Documentation Build Documentation #2884: Scheduled
9m 49s main
main
9m 49s
Load structure multiplicity if given in the Arkane input file Build Documentation #2883: Commit d65c5f3 pushed by jonwzheng
20m 40s main
main
20m 40s
Add environment validation and error handling to RMS installation script Build Documentation #2882: Pull request #2828 synchronize by ssun30
10m 27s ssun30:fix_install_rms
ssun30:fix_install_rms
10m 27s
Build Documentation Build Documentation #2881: Scheduled
10m 18s main
main
10m 18s
Load spin multiplicity into the Arkane Species Molecule if given explicitly in the main Arkane input file Build Documentation #2880: Pull request #2854 opened by alongd
25m 6s arkane_spc_mult_input
arkane_spc_mult_input
25m 6s
Add environment validation and error handling to RMS installation script Build Documentation #2879: Pull request #2828 synchronize by ssun30
23m 26s ssun30:fix_install_rms
ssun30:fix_install_rms
23m 26s
Added completedNetworks option to prevent exploring PDep networks that are complete. Build Documentation #2878: Pull request #2853 synchronize by rwest
16m 18s feat/complete_network
feat/complete_network
16m 18s
Use rdkit for SSSR and RCs (bug fix + Python upgrade) Build Documentation #2877: Pull request #2796 synchronize by JacksonBurns
10m 16s feat/rdkit_sssr
feat/rdkit_sssr
10m 16s
Merge pull request #2852 from ReactionMechanismGenerator/feat/ringtests Build Documentation #2876: Commit 2cc1d43 pushed by JacksonBurns
10m 23s main
main
10m 23s
Build Documentation Build Documentation #2875: Scheduled
2m 16s main
main
2m 16s
Added completedNetworks option to prevent exploring PDep networks that are complete. Build Documentation #2874: Pull request #2853 synchronize by rwest
14m 4s feat/complete_network
feat/complete_network
14m 4s
Added completedNetworks option to prevent exploring PDep networks that are complete. Build Documentation #2873: Pull request #2853 opened by rwest
9m 43s feat/complete_network
feat/complete_network
9m 43s
Use rdkit for SSSR and RCs (bug fix + Python upgrade) Build Documentation #2872: Pull request #2796 synchronize by rwest
10m 10s feat/rdkit_sssr
feat/rdkit_sssr
10m 10s
Add environment validation and error handling to RMS installation script Build Documentation #2871: Pull request #2828 synchronize by ssun30
12m 16s ssun30:fix_install_rms
ssun30:fix_install_rms
12m 16s
Expanding the unit testing of ring decomposition features. Build Documentation #2870: Pull request #2852 opened by rwest
10m 57s feat/ringtests
feat/ringtests
10m 57s
fix reactionLibraries path Build Documentation #2869: Pull request #2851 opened by bjkreitz
16m 40s cat_example
cat_example
16m 40s
Coverage-dependent thermochemistry for catalysis Build Documentation #2868: Pull request #2646 synchronize by bjkreitz
10m 44s 12Chao:cov_dep_therm
12Chao:cov_dep_therm
10m 44s
Coverage-dependent thermochemistry for catalysis Build Documentation #2867: Pull request #2646 synchronize by bjkreitz
9m 55s 12Chao:cov_dep_therm
12Chao:cov_dep_therm
9m 55s
Coverage-dependent thermochemistry for catalysis Build Documentation #2866: Pull request #2646 synchronize by bjkreitz
25m 23s 12Chao:cov_dep_therm
12Chao:cov_dep_therm
25m 23s
Build Documentation Build Documentation #2865: Scheduled
12m 8s main
main
12m 8s
Fix E0 energy_correction in pressure dependence calculations. Build Documentation #2864: Pull request #2835 synchronize by rwest
13m 39s e0fix
e0fix
13m 39s
Use rdkit for SSSR and RCs (bug fix + Python upgrade) Build Documentation #2863: Pull request #2796 synchronize by rwest
24m 37s feat/rdkit_sssr
feat/rdkit_sssr
24m 37s
Use rdkit for SSSR and RCs (bug fix + Python upgrade) Build Documentation #2862: Pull request #2796 synchronize by rwest
18m 10s feat/rdkit_sssr
feat/rdkit_sssr
18m 10s