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When I run with:
# Data sources database( '../RMG-database/input', thermoLibraries = ['primaryThermoLibrary', 'GRI-Mech3.0'], reactionLibraries = ['GRI-Mech3.0'], seedMechanisms = [], )
it fails with:
Adding seed mechanism GRI-Mech3.0 to model core... Traceback (most recent call last): File "rmg.py", line 673, in <module> execute(args) File "rmg.py", line 262, in execute reactionModel.addSeedMechanismToCore(database, seedMechanism, react=False) File "/Users/rwest/XCodeProjects/RMGpy/RMG-Py/rmgpy/rmg/model.py", line 1305, in addSeedMechanismToCore r, isNew = self.makeNewReaction(rxn) File "/Users/rwest/XCodeProjects/RMGpy/RMG-Py/rmgpy/rmg/model.py", line 748, in makeNewReaction forward.reactants = [self.makeNewSpecies(molecule)[0] for molecule in forward.reactants] File "/Users/rwest/XCodeProjects/RMGpy/RMG-Py/rmgpy/rmg/model.py", line 641, in makeNewSpecies molecule.clearLabeledAtoms() AttributeError: 'rmgpy.species.Species' object has no attribute 'clearLabeledAtoms'
The text was updated successfully, but these errors were encountered:
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When I run with:
it fails with:
The text was updated successfully, but these errors were encountered: