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ReactionMechanismGenerator / RMG-Py Public

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Allow disabling of RMS yaml writer for speedup#2508

Closed

ChrisBNEU wants to merge 5 commits intoReactionMechanismGenerator:mainReactionMechanismGenerator/RMG-Py:mainfrom

ChrisBNEU:rms_yaml_writeChrisBNEU/RMG-Py:rms_yaml_writeCopy head branch name to clipboard

Conversation Commits5 (5)Checks Files changed

Closed

Allow disabling of RMS yaml writer for speedup#2508
ChrisBNEU wants to merge 5 commits intoReactionMechanismGenerator:mainfrom
ChrisBNEU:rms_yaml_write

Commits

Commits on Sep 16, 2024

added input arg for disabling rms yaml write

ChrisBNEU
authored and
JacksonBurns
committed
updated documentation

ChrisBNEU
authored and
JacksonBurns
committed
use `molecule.smiles` instead of `molecule.to_smiles()` in yaml writer
JacksonBurns
committed
disable rms writer in regression tests and input unit test
JacksonBurns
committed
move rmsyaml test to the rmg functional tests
JacksonBurns
committed

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