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Run findCp0andCpInf when estimating thermo of surface species.
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Addresses the comment in
cfgoldsmith#5 (comment)
but not actually issue ReactionMechanismGenerator#5.
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rwest committed May 1, 2018
1 parent 257f615 commit 2cc2f37
Showing 1 changed file with 1 addition and 2 deletions.
3 changes: 1 addition & 2 deletions rmgpy/data/thermo.py
Original file line number Diff line number Diff line change
Expand Up @@ -1376,8 +1376,7 @@ def getThermoDataForSurfaceSpecies(self, species):
# (groupAdditivity=True means it appends the comments)
addThermoData(thermo, adsorptionThermo, groupAdditivity=True)

thermo.Cp0 = None
thermo.CpInf = None
findCp0andCpInf(species, thermo)
return thermo

def getThermoDataFromLibraries(self, species, trainingSet=None):
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