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ReactionMechanismGenerator
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Account for enantiomers in entropy
- #1179
#1179
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KEHANG
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Sep 8, 2017
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Account for enantiomers in entropy
#1179
KEHANG
merged 3 commits into
master
ReactionMechanismGenerator/RMG-Py:master
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account_for_enantiomers_in_entropy
ReactionMechanismGenerator/RMG-Py:account_for_enantiomers_in_entropy
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Commits on Sep 8, 2017
Make symmetry attribute a float
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Account for chiral centers in getAtomSymmetryNumber
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Updated documentation for chirality
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