Searched refs:massdict (Results 1 – 2 of 2) sorted by relevance
118 massdict = dict(list(zip(symbols, atoms.get_masses())))119 atomtypes = sorted(massdict.keys())120 atommasses = [massdict[at] for at in atomtypes]
429 def _parse_atoms(self, datalines, massdict=None): argument514 if massdict is not None:517 masses[i] = massdict[at]