ebsdsim

ebsdsim computes Lambert-projected Kikuchi master patterns from crystal structures using multi-beam dynamical electron diffraction on the GPU (WebGPU). Patterns are written as raw intensities in compressed .npz files; display scaling is applied when you load them.

User documentation is at ebsdsim.readthedocs.io.

Installation

pip install ebsdsim

Simulations require a WebGPU adapter. See the installation guide for Python version support, GPU drivers, and editable installs.

Quick start

import ebsdsim as es

mp = es.master_pattern_from_cif(
    "GaN.cif",
    voltage_kv=20.0,
    halfw=250,  # 501×501 raster; the default 500 gives 1001×1001
    sigma_deg=70.0,
)
mp.save("GaN-master-pattern.npz")

Bundled presets: GaN.cif, Ni.cif. See examples/01_quick_start.ipynb.

Documentation

• Quick start
• Simulation parameters
• API reference
• Changelog

Development and releases: CONTRIBUTING.md.

Citation

If you use ebsdsim in published work, please cite:

Varley, Z., & Ånes, H. W. (2026). ebsdsim: GPU-accelerated dynamical simulation of EBSD Kikuchi master patterns [Computer software]. Zenodo. https://doi.org/10.5281/zenodo.21908721

See CITATION.cff for a machine-readable form.

License

MIT — see LICENSE.