Coordination Analysis

Count neighbors within a cutoff and compute a radial distribution function for the frame.

Overview

Coordination Analysis is one of the simplest and most useful baseline plugins in the catalog. It counts how many neighbors each atom has inside a chosen cutoff and, at the same time, computes a radial distribution function for the full system.

That makes it a good first pass when you want a quick read on local environment and global pair structure without jumping immediately into a heavier structural workflow.

Parameters

Parameter	Type	Default	Description
`cutoff`	`float`	`3.2`	Cutoff radius for neighbor search.
`rdfBins`	`int`	`500`	Number of bins for RDF calculation.

Practical notes

The plugin reports coordination counts and a global RDF. It does not separately label atoms as under-coordinated or over-coordinated for you.
This is a strong quick-look tool, but a deliberately lightweight one.
The RDF is normalized using the simulation-cell volume, so sensible cell metadata matters.

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[];
}