ElasticStrain reconstructs elastic strain fields from an upstream crystal-state package.
curl -sSL https://raw.githubusercontent.com/VoltLabs-Research/CoreToolkit/main/scripts/install-plugin.sh | bash -s -- ElasticStrainUsage:
elastic-strain <lammps_file> [output_base] [options]| Argument | Required | Description | Default |
|---|---|---|---|
<lammps_file> |
Yes | Input LAMMPS dump file. | |
[output_base] |
No | Base path for output files. | derived from input |
--clusters-table <path> |
Yes | Path to *_clusters.table exported upstream. |
|
--clusters-transitions <path> |
Yes | Path to *_cluster_transitions.table exported upstream. |
|
--crystalStructure <type> |
No | Input crystal structure, such as BCC, FCC, HCP, SC, CUBIC_DIAMOND, HEX_DIAMOND. |
BCC |
--latticeConstant <float> |
Yes | Lattice constant a₀. |
|
--caRatio <float> |
No | c/a ratio for hexagonal crystals. |
1.0 |
--pushForward |
No | Push strain tensors to the spatial frame. | false |
--calcDeformationGradient |
No | Compute deformation gradient F. |
true |
--calcStrainTensors |
No | Compute strain tensors. | true |
--threads <int> |
No | Maximum worker threads. | auto capped to physical cores |
--help |
No | Print CLI help. |