DisplacementsAnalysis

DisplacementsAnalysis computes atomic displacements relative to an optional reference frame.

One-Command Install

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

CLI

Usage:

displacement-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
--reference <file>	No	Reference LAMMPS dump file. If omitted, the current frame is used.	current frame
--mic	No	Use minimum image convention.	true
--affineMapping <mode>	No	Affine mapping mode: noMapping, toReferenceCell, toCurrentCell.	noMapping
--threads <int>	No	Maximum worker threads.	auto
--help	No	Print CLI help.