conditions choosen for reactor 0 were: T = 400.0 K, Generating initial reactions... For reaction generation 1 process is used. Error: Problem family: Surface_Adsorption_vdW Error: Problem reactants: (Molecule(smiles="[Pt]"), Molecule(smiles="NNOO")) Traceback (most recent call last): File "/home/chrisb/RMG-Py/rmg.py", line 111, in main() File "/home/chrisb/RMG-Py/rmg.py", line 105, in main rmg.execute(**kwargs) File "/home/chrisb/RMG-Py/rmgpy/rmg/main.py", line 710, in execute trimolecular_react=self.trimolecular_react) File "/home/chrisb/RMG-Py/rmgpy/rmg/model.py", line 595, in enlarge procnum=procnum) File "/home/chrisb/RMG-Py/rmgpy/rmg/react.py", line 172, in react_all return react(spc_fam_tuples, procnum), [fam_tuple[0] for fam_tuple in spc_fam_tuples] File "/home/chrisb/RMG-Py/rmgpy/rmg/react.py", line 66, in react reactions = list(map(_react_species_star, spc_fam_tuples)) File "/home/chrisb/RMG-Py/rmgpy/rmg/react.py", line 79, in _react_species_star return react_species(*args) File "/home/chrisb/RMG-Py/rmgpy/rmg/react.py", line 94, in react_species reactions = get_db('kinetics').generate_reactions_from_families(species_tuple, only_families=only_families) File "/home/chrisb/RMG-Py/rmgpy/data/kinetics/database.py", line 534, in generate_reactions_from_families prod_resonance=resonance)) File "/home/chrisb/RMG-Py/rmgpy/data/kinetics/database.py", line 561, in react_molecules prod_resonance=prod_resonance)) File "/home/chrisb/RMG-Py/rmgpy/data/kinetics/family.py", line 1689, in generate_reactions self._generate_reactions(reactants, products=products, forward=True, prod_resonance=prod_resonance)) File "/home/chrisb/RMG-Py/rmgpy/data/kinetics/family.py", line 1990, in _generate_reactions [map_a, map_b], forward) File "/home/chrisb/RMG-Py/rmgpy/data/kinetics/family.py", line 1567, in _generate_product_structures product_structures = self.apply_recipe(reactant_structures, forward=forward) File "/home/chrisb/RMG-Py/rmgpy/data/kinetics/family.py", line 1483, in apply_recipe struct.remove_van_der_waals_bonds() File "rmgpy/molecule/molecule.py", line 1091, in rmgpy.molecule.molecule.Molecule.remove_van_der_waals_bonds File "rmgpy/molecule/molecule.py", line 1097, in rmgpy.molecule.molecule.Molecule.remove_van_der_waals_bonds RuntimeError: dictionary changed size during iteration