Coordination Analysis

Computes per-atom coordination number and the radial distribution function (RDF).

Install

vpm install @voltlabs/coordination-analysis

CLI

coordination-analysis <input_dump> [output_base] [options]

Argument	Required	Default	Description
<input_dump>	yes	—	Input LAMMPS dump.
[output_base]	no	derived from input	Base path for output files.
--cutoff <float>	no	3.2	Cutoff radius for neighbor search.
--rdf_bins <int>	no	500	Number of bins for the RDF calculation.
--threads <int>	no	auto	Maximum worker threads.
--help	no	—	Print CLI help.

Exports

Output file	Exposure	Exporter → artifact
{output_base}_coordination.parquet	Coordination Analysis	—
{output_base}_atoms.parquet	Coordination Model	AtomisticExporter → glb
{output_base}_rdf_chart.parquet	RDF Chart	ChartExporter → chart-png
{output_base}_rdf_histogram.parquet	Partial RDF Histogram	—

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Full input contract and examples: https://docs.voltcloud.dev/docs/plugins/coordination-analysis