Computes the per-atom centrosymmetry parameter (CSP) to detect defects and local symmetry.
vpm install @voltlabs/centrosymmetry-parametercentrosymmetry <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. |
--num_neighbors <int> |
no | 12 |
Even number of neighbors, up to 32. |
--mode <conventional|matching> |
no | conventional |
CSP evaluation mode. |
--threads <int> |
no | auto | Maximum worker threads. |
--help |
no | — | Print CLI help. |
| Output file | Exposure | Exporter → artifact |
|---|---|---|
{output_base}_centrosymmetry.parquet |
Centrosymmetry | — |
{output_base}_atoms.parquet |
Centrosymmetry Model | AtomisticExporter → glb |
Full input contract and examples: https://docs.voltcloud.dev/docs/plugins/centrosymmetry-parameter