Plugins
Displacements Analysis
Compare two configurations atom by atom and measure displacement vectors.
Parameters
| Parameter | Type | Default | Description |
|---|---|---|---|
reference | file | — | Reference LAMMPS dump file. If omitted, the current frame is used, which usually produces near-zero displacement. |
mic | bool | true | Use minimum image convention. |
affineMapping | string | noMapping | Affine mapping mode. Options: noMapping, toReferenceCell, toCurrentCell. |
Output
{outputBase}_displacements.msgpack
type Vec3 = [float, float, float];
interface PerAtomProperties {
id: int;
displacement: Vec3;
magnitude: float;
}
interface DisplacementsOutput {
main_listing: {
average_displacement_magnitude: float;
max_displacement_magnitude: float;
min_displacement_magnitude: float;
};
"per-atom-properties": PerAtomProperties[];
}See Also
- Atomic Strain — neighborhood-based deformation measures
- Elastic Strain — crystal-referenced elastic strain