pyscfad.xtb.kxtb.GFN1KXTB.get_hcore#

GFN1KXTB.get_hcore(cell=None, s1e=None, kpts=None)[source]#
Parameters:

  • cell (Cell | None)

  • s1e (ArrayLike | None)

  • kpts (ArrayLike | None)

Return type:

Array