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alongdrwest
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Get thermochemistry even for non-reactive species
during model initialization
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rmgpy/rmg/main.py

Lines changed: 1 addition & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -648,8 +648,7 @@ def initialize(self, **kwargs):
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# Initialize reaction model
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for spec in self.initial_species:
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if spec.reactive:
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submit(spec, self.solvent)
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submit(spec, self.solvent)
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if vapor_liquid_mass_transfer.enabled:
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spec.get_liquid_volumetric_mass_transfer_coefficient_data()
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spec.get_henry_law_constant_data()

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