cartesian_to_zmatrix

cartesian_to_zmatrix(coords, ordering=None, use_rad=True): 

Converts Cartesians to Z-Matrix coords and returns the underlying arrays

• coords: np.ndarray

  input Cartesians

• ordering: Any

  the Z-matrix ordering as a list of lists

• :returns: Iterable[np.ndarray | list]

  Z

  m a t r i x

c o o r d s