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Dislocation Analysis

Dislocation analysis (DXA) driven by the structure-identification algorithm selected by the user.

Install

vpm install @voltlabs/opendxa

CLI

opendxa <input_dump> [output_base] [options]
Argument Required Default Description
<input_dump> yes Input LAMMPS dump (annotated by an upstream structure-identification step).
[output_base] no derived from input Base path for output files.
--clusters_table <path> yes Cluster graph table from an upstream PTM/ACNA/PSM step.
--clusters_transitions <path> yes Cluster transitions table from the same upstream step.
--neighbor_lattice <path> yes Per-atom neighbor topology parquet from the same upstream step.
--reference_topology <name> no fcc Matrix-phase lattice: fcc, bcc, hcp, sc, cubic_diamond, hex_diamond.
--max_trial_circuit_size <int> no 14 Maximum Burgers circuit size.
--circuit_stretchability <int> no 9 Circuit stretchability factor.
--line_smoothing_level <float> no 1.0 Smoothing applied to dislocation lines.
--line_point_interval <float> no 2.5 Point spacing along exported lines.

Exports

Output file Exposure Exporter → artifact
{output_base}_dislocations.parquet Dislocations LineExporter → glb
{output_base}_defect_mesh.parquet Defect Mesh MeshExporter → glb
{output_base}_interface_mesh.parquet Interface Mesh MeshExporter → glb
{output_base}_atoms.parquet Structure Identification AtomisticExporter → glb
{output_base}_coherent_crystalline_regions.parquet Crystalline Coherent Regions AtomisticExporter → glb
{output_base}_dislocation_summary.parquet Burgers Segment Counts ChartExporter → chart-png
{output_base}_dislocation_summary.parquet Burgers Length Distribution ChartExporter → chart-png
{output_base}_dislocation_summary.parquet Network Statistics — (listing-only)

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