CoordinationAnalysis

CoordinationAnalysis computes coordination statistics and radial distribution data.

One-Command Install

curl -sSL https://raw.githubusercontent.com/VoltLabs-Research/CoreToolkit/main/scripts/install-plugin.sh | bash -s -- CoordinationAnalysis

CLI

Usage:

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

Arguments

Argument	Required	Description	Default
<lammps_file>	Yes	Input LAMMPS dump file.
[output_base]	No	Base path for output files.	derived from input
--cutoff <float>	No	Cutoff radius for neighbor search.	3.2
--rdfBins <int>	No	Number of bins for RDF calculation.	500
--threads <int>	No	Maximum worker threads.	auto
--help	No	Print CLI help.