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ReactionMechanismGenerator / ARC Public

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Parse Molpro frequencies #127

Merged

alongd merged 4 commits intomasterReactionMechanismGenerator/ARC:masterfrom molpro_freqReactionMechanismGenerator/ARC:molpro_freqCopy head branch name to clipboard

May 2, 2019

+696-3

Conversation Commits4 (4)Checks Files changed

Commits

Commits on May 2, 2019

Run OneDMin for monoatomic species
alongd
committed
Parse Molpro frequencies
alongd
committed
Tests: Parsing Molpro's frequencies
alongd
committed
Save geo in output after optimization
alongd
committed

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