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ReactionMechanismGenerator / RMG-Py Public

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Determine a species linearity from xyz#1601

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cgrambow merged 5 commits intomasterReactionMechanismGenerator/RMG-Py:masterfrom linearityReactionMechanismGenerator/RMG-Py:linearityCopy head branch name to clipboard

May 17, 2019

+157-74

Conversation Commits5 (5)Checks Files changed

Commits

Commits on May 17, 2019

Determine species linearity from xyz if not given
alongd
committed
Tests: is_linear() is Arkane statmech
alongd
committed
Removed the 'linear' keyword from most of Arkane's examples
alongd
committed
Updated documentation to reflect that 'linear' is optional
alongd
committed
Import numpy as np in Arkane statmech
alongd
committed

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