Plugins
Coordination Analysis
Count neighbors within a cutoff and compute a radial distribution function for the frame.
Parameters
| Parameter | Type | Default | Description |
|---|---|---|---|
cutoff | float | 3.2 | Cutoff radius for neighbor search. |
rdfBins | int | 500 | Number of bins for RDF calculation. |
Output
{outputBase}_coordination.msgpack
interface PerAtomProperties {
id: int;
coordination: int;
}
interface CoordinationOutput {
main_listing: {
cutoff: float;
rdf: {
x: float[];
y: float[];
};
};
"per-atom-properties": PerAtomProperties[];
}See Also
- Structure Identification — local crystal labels alongside neighbor information
- Cluster Analysis — connectivity-based grouping