pyscfad.xtb.xtb.XTB.shell_charges#

XTB.shell_charges(mol=None, dm=None, s1e=None, method='mulliken')[source]#
Parameters:

  • mol (MoleLite | None)

  • dm (ArrayLike | None)

  • s1e (ArrayLike | None)

  • method (str)

Return type:

Array