pyscfad.gto.mole_lite.make_atm_env#

pyscfad.gto.mole_lite.make_atm_env(coords, symbols, ptr=0, nuclear_model=1, nucprop=None)[source]#
Parameters:

  • coords (Array)

  • symbols (tuple[str, ...])

  • ptr (int)

  • nuclear_model (int)

  • nucprop (dict | None)

Return type:

tuple[numpy.ndarray, Array, Array]