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ReactionMechanismGenerator / RMG-Py Public

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Enhancing heteroatoms in RMG-Py#1039

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alongd wants to merge 9 commits intomasterReactionMechanismGenerator/RMG-Py:masterfrom

sulfurReactionMechanismGenerator/RMG-Py:sulfurCopy head branch name to clipboard

Conversation Commits9 (9)Checks Files changed

Closed

Enhancing heteroatoms in RMG-Py#1039
alongd wants to merge 9 commits intomasterfrom
sulfur

Commits

Commits on Jun 28, 2017

Temporarily changed .travis.yml to point to sulfur branch
alongd
committed
Updated SAtomTypes
alongd
committed
Changed Ss and Sd to S2s and S2d
alongd
committed
Added sulfur atomTypeTests, reorginized nitrogen tests as well
alongd
committed
Commenting out `S` from atomtypedatabase.py
alongd
committed
Allow database-test to make sample atoms using nitrogen atomTypes
alongd
committed
Added a raise DatabaseError to thermo.py
alongd
committed
Adds resonance for radicals adjacent to sulfur lone pairs

rgillis8
authored and
alongd
committed
Added a docstring describing the atomType naming convention
alongd
committed

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