transform

Structure.transform(transformation_matrix=array([[1, 0, 0], [0, 1, 0], [0, 0, 1]]))

Transform the crystla lattice by a transformation matrix

Parameters:

transformation_matrix (np.ndarray, optional) – The transformation matrix, by default np.array([[1, 0, 0], [0, 1, 0], [0, 0, 1]])

Returns:

The transformed structure

Return type:

pyprocar.core.Structure

Raises:

ValueError – Raise error if the transform is not proper