cgexplore.utilities.rattle¶ cgexplore.utilities.rattle(molecule, stdev=0.001, seed=None)[source]¶ Randomly displace atoms. This code is mimicking what is done in ase.Atoms.rattle(). Thank you to them! Parameters: molecule (Molecule) – The molecule to manipulate. stdev (float) – The standard deviation of the displacement. seed (int | None) – The seed for the random number generator. Returns: An stk molecule. Return type: Molecule