def qc_molecule_to_fb_molecule(self, qc_molecule): """ Convert an qcportal.Molecule object to a forcebalance.molecule.Molecule object""" m = Molecule() m.elem = [Elements[i] for i in qc_molecule.atomic_numbers] m.xyzs = [qc_molecule.geometry * bohr2ang] m.molecular_charge = qc_molecule.molecular_charge m.mult = qc_molecule.molecular_multiplicity return m