Plugins
Centrosymmetry Parameter
Measure local centrosymmetry as a fast way to highlight disorder and defect-rich regions.
Parameters
| Parameter | Type | Default | Description |
|---|---|---|---|
numNeighbors | int | 12 | Number of nearest neighbors to consider. Use a value consistent with the lattice you expect. |
mode | string | conventional | CSP calculation mode. Options: conventional, matching. |
Output
{outputBase}_centrosymmetry.msgpack
interface PerAtomProperties {
id: int;
csp: float;
}
interface CentrosymmetryOutput {
main_listing: {
total_atoms: int;
histogram_bins: int;
histogram_bin_size: float;
max_csp: float;
histogram_counts: int[];
histogram_interval: {
start: float;
end: float;
};
};
"per-atom-properties": PerAtomProperties[];
}See Also
- Structure Identification — local structure labels
- Atomic Strain — deformation measures at the atom level
- OpenDXA — dislocation-network reconstruction