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ReactionMechanismGenerator / RMG-Py Public

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Enable fitting and reversing of negative reaction rates.#1834

Merged

mliu49 merged 5 commits intomasterReactionMechanismGenerator/RMG-Py:masterfrom reversekineticsReactionMechanismGenerator/RMG-Py:reversekineticsCopy head branch name to clipboard

Dec 6, 2019

+58-1

Conversation Commits5 (5)Checks Files changed

Commits

Commits on Dec 6, 2019

Added test_generate_reverse_rate_coefficient to MultiPDepArrhenius
rwest
committed
Switch from numpy to scipy for linalg.lstsq
rwest
committed
Allow Arrhenius fitting of negative rates.
rwest
committed
Revert "Switch from numpy to scipy for linalg.lstsq"
rwest
committed
Added test for Arrhenius.fit_to_data on negative rates.
rwest
committed

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