neighbors¶
Neighbor-list helpers for kMC local-environment metadata.
- kmcpy.structure.neighbors.get_cutoff_neighbor_info(structure, n, cutoff_lookup)[source]¶
Return fixed-cutoff neighbor dictionaries with kMC site metadata.
- Return type:
list[dict[str,Any]]
- kmcpy.structure.neighbors.get_range_cutoff_neighbor_info(structure, n, cutoff_lookup)[source]¶
Return neighbor dictionaries for species-pair distance ranges.
- Return type:
list[dict[str,Any]]
- kmcpy.structure.neighbors.prepare_cutoff_neighbor_lookup(cutoff_dict)[source]¶
Precompute lookup tables for fixed-distance neighbor searches.
- Return type:
dict[str,Any]