orgdisord.enumerate.connected_components_indices

orgdisord.enumerate.connected_components_indices#

orgdisord.enumerate.connected_components_indices(atoms, cutoff_scale=1.25, exclude_hh=True)[source]#

Return list-of-lists of atom indices per connected component, using covalent cutoffs. If exclude_hh is True, H-H neighbor pairs are ignored when forming connectivity.