pyscfad.gto.mole_lite.make_env#
- pyscfad.gto.mole_lite.make_env(mol)[source]#
Make
_atm,_bas, and_envfor interfacing withlibcint.- Parameters:
mol (MoleLite)
- Return type:
tuple[numpy.ndarray, numpy.ndarray, Array]
Make _atm, _bas, and _env for
interfacing with libcint.
mol (MoleLite)
tuple[numpy.ndarray, numpy.ndarray, Array]