get_fixed_list

process_class.get_fixed_list(rsp=0)

Read the fixed-atom mask for the selected structure.

Parameters:

rsp (int, optional) – Structure selector: 0 for reactant, 1 for saddle, 2 for product. Default: 0.

Returns:

numpy.ndarray – Boolean mask with one entry per atom; true means fixed. These are flags, not atom indices.