convert_cartesian_to_zmatrix

convert_cartesian_to_zmatrix(coords, *, ordering, use_rad=True, return_derivs=None, order=None, strip_embedding=False, derivative_method='new'): 

The ordering should be specified like:

[ [n1], [n2, n1] [n3, n1/n2, n1/n2] [n4, n1/n2/n3, n1/n2/n3, n1/n2/n3] [n5, …] … ]

• coords: np.ndarray

  array of cartesian coordinates

• use_rad: bool

  whether to user radians or not

• ordering: None or tuple of ints or tuple of tuple of ints

  optional ordering parameter for the z-matrix

• kw: Any

  ignored key-word arguments

• :returns: np.ndarray

  z

  m a t r i x

c o o r d s