Computes per-atom displacement vectors (and optional Zimmerman slip vectors) relative to a reference frame.
vpm install @voltlabs/displacements-analysisdisplacement-analysis <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. |
--reference <file> |
no | current frame | Reference LAMMPS dump. If omitted, the current frame is used. |
--mic |
no | true |
Use the minimum image convention. |
--affine_mapping <mode> |
no | noMapping |
Affine mapping: noMapping, toReferenceCell, or toCurrentCell. |
--compute_slip_vector |
no | true |
Compute the Zimmerman slip vector per atom. |
--slip_cutoff <Å> |
no | 3.5 |
Reference-frame neighbor cutoff distance for the slip vector. |
--slip_threshold <Å> |
no | 0.5 |
Relative displacement above which a neighbor counts as slipped. |
| Output file | Exposure | Exporter → artifact |
|---|---|---|
{output_base}_displacements.parquet |
Displacements | — |
{output_base}_atoms.parquet |
Displacements Model | AtomisticExporter → glb |
Full input contract and examples: https://docs.voltcloud.dev/docs/plugins/displacements-analysis