pyscfad.xtb.xtb.XTB.dip_moment#

XTB.dip_moment(mol=None, dm=None, unit='Debye', origin=None, verbose=None, charges=None)[source]#

Molecular dipole moment.

Parameters:

  • charges (ArrayLike | None) – Nuclear charges.

  • mol (MoleLite | None)

  • dm (ArrayLike | None)

  • unit (str)

  • origin (ArrayLike | None)

  • verbose (int | None)

Return type:

Array