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ReactionMechanismGenerator / RMG-Py Public

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Adding Iodine as a new reactive element in RMG#1321

Merged

alongd merged 6 commits into

masterReactionMechanismGenerator/RMG-Py:masterfrom

iodineMonovalReactionMechanismGenerator/RMG-Py:iodineMonovalCopy head branch name to clipboard

Mar 20, 2018

Conversation Commits6 (6)Checks Files changed

Merged

Adding Iodine as a new reactive element in RMG#1321
alongd merged 6 commits into
masterfrom
iodineMonoval

Commits

Commits on Mar 19, 2018

Added Iodine atomType to documentation
sarahkha
committed
Added 'I1s' iodine atomType
sarahkha
committed
Added a iodine atomType Test
sarahkha
committed
Added I to group updateFingerprint()
sarahkha
committed
Added I to generatePairs() in reaction.py
sarahkha
committed
Avoid generating a charged iodine atomType in isomorphismTest
sarahkha
committed

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