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Modified the trype of the species rmg_thermo attribute
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alongd committed Dec 28, 2024
1 parent a2920e9 commit 081e593
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2 changes: 1 addition & 1 deletion arc/species/species.py
Original file line number Diff line number Diff line change
Expand Up @@ -233,7 +233,7 @@ class ARCSpecies(object):
include_in_thermo_lib (bool): Whether to include in the output RMG library.
e0_only (bool): Whether to only run statmech (w/o thermo) to compute E0.
thermo (HeatCapacityModel): The thermodata calculated by ARC.
rmg_thermo (HeatCapacityModel): The thermodata generated by RMG for comparison.
rmg_thermo (Dict[str, int]): The RMG thermo, 'H298' in kJ/mol and 'S298' in J/mol*K.
long_thermo_description (str): A description for the species entry in the thermo library outputted.
ts_guesses (list): A list of TSGuess objects for each of the specified methods.
successful_methods (list): Methods used to generate a TS guess that successfully generated an XYZ guess.
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