Pattern Structure Matching

Matches atomic structures against user-defined patterns and exports the reconstructed-state contract consumed by OpenDXA.

Install

vpm install @voltlabs/pattern-structure-matching

CLI

pattern-structure-matching <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.
--pattern_definitions <list>	yes	—	Custom lattice patterns (name, cell vectors, basis atoms, coordination number, scale, coordinate mode).
--matrix_pattern_name <name>	no	""	Override which defined pattern is the matrix phase.
--dissolve_small_clusters	no	false	Mark small clusters as OTHER after clustering.

Exports

Output file	Exposure	Exporter → artifact
{output_base}_atoms.parquet	Structure Identification	AtomisticExporter → glb
{output_base}_pattern_analysis.parquet	Pattern Analysis	—
{output_base}_neighbor_lattice.parquet	Neighbor Lattice	—

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Full input contract and examples: https://docs.voltcloud.dev/docs/plugins/pattern-structure-matcher