Interfacial Line Defect Analysis (ILDA)

Extracts interfacial dislocations and disconnections at a semi-coherent interface, inserting a line-segment representation annotated with Burgers vector and step height per segment (a DXA-style line-defect analysis).

Install

vpm install @voltlabs/ilda

CLI

ilda <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.
--grain-atoms	yes	—	Per-atom annotated parquet (grain id, structure type, orientation) from the upstream grain-segmentation step.
--grains	yes	—	Per-grain table (structure type, orientation) from the upstream grain-segmentation step.
--atomA	no	0	Atom A particle identifier.
--atomB	no	0	Atom B particle identifier.
--aA	no	1.0	Lattice constant a (Grain A).
--cA	no	0.0	Lattice constant c (Grain A).
--aB	no	1.0	Lattice constant a (Grain B).
--cB	no	0.0	Lattice constant c (Grain B).
--typeA	no	-1	Structure type A (-1 = derive).
--typeB	no	-1	Structure type B (-1 = derive).
--Rsphere	no	10.0	Probe sphere radius.
--htol	no	0.5	Step height tolerance.
--btol	no	0.01	Burgers length tolerance.
--angtol	no	5.0	Burgers angular tolerance (deg).
--distF	no	10.0	Interface skin distance.
--cis_tol	no	0.0	Co-incidence site tolerance.
--rmsd	no	0.1	PTM RMSD cutoff.
--estimateF	no	true	Estimate the coherent reference frame.
--single_circuit	no	false	Trace a single circuit.
--extract_lines	no	false	Extract line segments.
--selection_only	no	false	Use only selected particles.
--print_results	no	false	Print a results summary.
--circuitAtom1	no	0	Single-circuit atom 1.
--circuitAtom2	no	0	Single-circuit atom 2.
--n	no	0,0,1	Interface plane normal (x, y, z).
--xA	no	0,0,0	Orientation x (Grain A); used when --estimateF false.
--yA	no	0,0,0	Orientation y (Grain A); used when --estimateF false.
--xB	no	0,0,0	Orientation x (Grain B); used when --estimateF false.
--yB	no	0,0,0	Orientation y (Grain B); used when --estimateF false.
--EcohA	no	—	Coherency strain (Grain A, 3x3 rows); used when --estimateF false.
--EcohB	no	—	Coherency strain (Grain B, 3x3 rows); used when --estimateF false.

Exports

Output file	Exposure	Exporter → artifact
{output_base}_bonds.parquet	Line Defects	BondExporter → glb
{output_base}_disconnection_summary.parquet	Disconnection Modes	— (listing-only)

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