Code

Output RMG libraries in Arkane#1769

Code

Merged

mjohnson541 merged 4 commits intomasterReactionMechanismGenerator/RMG-Py:masterfrom arkane_libsReactionMechanismGenerator/RMG-Py:arkane_libsCopy head branch name to clipboardOct 30, 2019

+149-9

Commits

Commits on Oct 29, 2019

• Added functions to save thermo and kinetic libraries in Arkane

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  3319845

• Tests: Get a string representation of xyz in Arkane output

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  00b4742

• Save thermo and kinetic libraries in Arkane

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  3e16480

• Return the model chemistry in Arkane load_input_file()

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