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ReactionMechanismGenerator / RMG-Py Public

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Added Chlorine as a new reactive element in RMG#1310

Merged

amarkpayne merged 9 commits intomasterReactionMechanismGenerator/RMG-Py:masterfrom

chlorineReactionMechanismGenerator/RMG-Py:chlorineCopy head branch name to clipboard

Mar 14, 2018

Conversation Commits9 (9)Checks Files changed

Merged

Added Chlorine as a new reactive element in RMG#1310
amarkpayne merged 9 commits intomasterfrom
chlorine

Commits

Commits on Mar 13, 2018

Added `Cl1s` chlorine atomType
alongd
committed

Commits on Mar 14, 2018

Added Chlorine atomType to documentation
alongd
committed
Added a chlorine atomType Test
alongd
committed
Avoid generating a charged chlorine atomType in isomorphismTest
alongd
committed
Added C-Cl and C-F to CBS-QB3 BAC
alongd
committed
Added F, I to element.py
alongd
committed
Added Cl, Si to group updateFingerprint()
alongd
committed
Added is F/Cl/I to Atom in molecule.py
alongd
committed
Added Cl and Si to generatePairs() in reaction.py
alongd
committed

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