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Send the species multiplicity to Arkane's input file CodeQL #1843: Pull request #804 synchronize by alongd
2m 10s arkane_spc_mult_input
arkane_spc_mult_input
2m 10s
Modified MRCI implementation in Molpro and Orca adapters CodeQL #1842: Pull request #746 synchronize by alongd
2m 19s mrci
mrci
2m 19s
Modified MRCI implementation in Molpro and Orca adapters CodeQL #1841: Pull request #746 synchronize by alongd
2m 8s mrci
mrci
2m 8s
BugFix: NUMBER_BY_SYMBOL is a dict CodeQL #1840: Pull request #798 synchronize by alongd
2m 18s nbs
nbs
2m 18s
Added a .index attr to ARCSpecies CodeQL #1839: Pull request #808 synchronize by alongd
2m 14s spc.index
spc.index
2m 14s
Add Dockerfile enhancements and usage documentation CodeQL #1838: Pull request #810 opened by calvinp0
2m 16s docker_bashrc
docker_bashrc
2m 16s
Hydrolysis families and tests CodeQL #1837: Pull request #770 synchronize by LeenFahoum
2m 18s hydrolysis
hydrolysis
2m 18s
Hydrolysis families and tests CodeQL #1836: Pull request #770 synchronize by LeenFahoum
2m 18s hydrolysis
hydrolysis
2m 18s
CodeQL CodeQL #1835: Scheduled
2m 13s main
main
2m 13s
Hydrolysis families and tests CodeQL #1834: Pull request #770 synchronize by LeenFahoum
2m 19s hydrolysis
hydrolysis
2m 19s
improve error handling of sella xtb optts (#809) CodeQL #1833: Commit d6d2be9 pushed by kfir4444
2m 17s main
main
2m 17s
BugFix: NUMBER_BY_SYMBOL is a dict CodeQL #1832: Pull request #798 synchronize by alongd
2m 10s nbs
nbs
2m 10s
improve error handling of sella xtb optts CodeQL #1831: Pull request #809 opened by kfir4444
2m 18s CI_bugfixes
CI_bugfixes
2m 18s
Fix duplicate degeneracy multiplication and add training rules to kinetics families CodeQL #1830: Pull request #803 synchronize by alongd
2m 13s copilot/remove-duplicate-rate-call
copilot/remove-duplicate-rate-call
2m 13s
Send the species multiplicity to Arkane's input file CodeQL #1829: Pull request #804 synchronize by alongd
2m 9s arkane_spc_mult_input
arkane_spc_mult_input
2m 9s
BugFix: NUMBER_BY_SYMBOL is a dict CodeQL #1828: Pull request #798 synchronize by alongd
2m 17s nbs
nbs
2m 17s
Added a .index attr to ARCSpecies CodeQL #1827: Pull request #808 synchronize by alongd
2m 19s spc.index
spc.index
2m 19s
Hydrolysis families and tests CodeQL #1826: Pull request #770 synchronize by LeenFahoum
2m 22s hydrolysis
hydrolysis
2m 22s
Hydrolysis families and tests CodeQL #1825: Pull request #770 synchronize by LeenFahoum
2m 12s hydrolysis
hydrolysis
2m 12s
Correct over-squaring in internal coordinate objective function for a… CodeQL #1824: Commit 79c2aca pushed by alongd
2m 17s main
main
2m 17s
CodeQL CodeQL #1823: Scheduled
2m 13s main
main
2m 13s
CodeQL CodeQL #1822: Scheduled
2m 16s main
main
2m 16s
CodeQL CodeQL #1821: Scheduled
2m 6s main
main
2m 6s
Added a .index attr to ARCSpecies CodeQL #1820: Pull request #808 synchronize by alongd
2m 12s spc.index
spc.index
2m 12s
Added a .index attr to ARCSpecies CodeQL #1819: Pull request #808 opened by alongd
2m 21s spc.index
spc.index
2m 21s
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