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ReactionMechanismGenerator / ARC Public

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Save conformer jobs in the restart file #125

Merged

alongd merged 4 commits intomasterReactionMechanismGenerator/ARC:masterfrom restartReactionMechanismGenerator/ARC:restartCopy head branch name to clipboard

May 1, 2019

+38-25

Conversation Commits4 (4)Checks Files changed

Commits

Commits on May 1, 2019

Don't use cclib's freq parser which contaminates our log file
alongd
committed
Save conformer jobs in the restart file
alongd
committed
Minor: changed 'collider' to 'bath gas' in transport comment
alongd
committed
Scan level should be the same as freq (changed default in settings)
alongd
committed

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