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renamed cantera.py to cantera_.py. Edited import statement in main.py…
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… to reflect this name change. Edited reaction.py so depreciated Cantera term is not used. Edited reactionTest.py so that test_falloff is successful for third body reactions
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Nora-Khalil committed Jul 18, 2022
1 parent c4cff4e commit 7f91a01
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2 changes: 1 addition & 1 deletion rmgpy/reaction.py
Expand Up @@ -357,7 +357,7 @@ def to_cantera(self, species_list=None, use_chemkin_identifier=False):
A = self.kinetics._A.value_si
b = self.kinetics._n.value_si
Ea = self.kinetics._Ea.value_si * 1000 # convert from J/mol to J/kmol
rate = ct.Arrhenius(A, b, Ea)
rate = ct.ArrheniusRate(A, b, Ea)
ct_reaction = ct.InterfaceReaction(equation=str(self), rate=rate)

elif isinstance(self.kinetics, StickingCoefficient):
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