neighbormodels.neighbors.append_site_i_neighbor_distance_data

append_site_i_neighbor_distance_data(site_i_index: int, site_i_neighbors: List[Union[typing.Tuple[pymatgen.core.sites.PeriodicSite, float, int], NoneType]], cell_structure: pymatgen.core.structure.Structure, neighbor_distances: Dict[str, Union[typing.List[str], typing.List[float], typing.List[int]]], unordered_pairs: bool) → None

Helper function to append indices, species, and distances in the neighbor_distances dictionary.

Parameters:

• site_i_index – Site index of first site in neighbor pair.
• site_i_neighbors – A list of site i’s neighbors.
• cell_structure – The pymatgen Structure object that defines the crystal structure.
• neighbor_distances – A dictionary of site indices, site species, and neighbor distances for each pair.
• unordered_pairs – Treat site-index pairs as unordered if True.