chemcoord.zmat_functions.apply_grad_cartesian_tensor¶

chemcoord.zmat_functions.apply_grad_cartesian_tensor(grad_X, zmat_dist)[source]¶

Apply the gradient for transformation to cartesian space onto zmat_dist.

Parameters:	grad_X (`numpy.ndarray`) – A `(3, n, n, 3)` array. The mathematical details of the index layout is explained in `get_grad_zmat()`. zmat_dist (`Zmat`) – Distortions in Zmatrix space.
Returns:	Distortions in cartesian space.
Return type:	`Cartesian`