Metadata-Version: 2.5
Name: pyrite-mc
Version: 0.13.6
Summary: Monte Carlo electron transport and X-ray emission in crystalline and amorphous solids.
Project-URL: Homepage, https://github.com/Quantum-Light-Matter-Cooperative-QLMC/pyrite#readme
Project-URL: Repository, https://github.com/Quantum-Light-Matter-Cooperative-QLMC/pyrite
Project-URL: Documentation, https://pyrite.readthedocs.io/en/latest/
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License-File: LICENSE.txt
License-File: THIRD-PARTY-NOTICES.md
Classifier: License :: Other/Proprietary License
Requires-Python: >=3.13
Requires-Dist: backports-zstd>=1.7; python_version < '3.14'
Requires-Dist: click>=8.4.1
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Requires-Dist: mpmath<2,>=1.3
Requires-Dist: numba>=0.66.0
Requires-Dist: numpy>=2.4.6
Requires-Dist: pandas>=3.0.3
Requires-Dist: platformdirs>=4.9
Requires-Dist: polars>=1.44.2
Requires-Dist: psutil>=7.2.2
Requires-Dist: scipy>=1.17.1
Requires-Dist: tabulate>=0.10.0
Requires-Dist: tomlkit>=0.13
Requires-Dist: tqdm>=4.68.2
Requires-Dist: xraydb>=4.5.8
Provides-Extra: amd
Requires-Dist: cupy>=13.4.0; extra == 'amd'
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Requires-Dist: mp-api>=0.46; extra == 'external-db'
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Provides-Extra: nvidia
Requires-Dist: cupy-cuda13x[ctk]>=14.1.1; extra == 'nvidia'
Description-Content-Type: text/markdown

# PyRITE

PyRITE is a Python toolkit for Monte Carlo electron transport and X-ray
emission in crystalline and amorphous solids. It models parametric X-ray
radiation (PXR) and coherent bremsstrahlung (CBS) from crystals, alongside
incoherent bremsstrahlung and characteristic X-ray emission.

Use the Python API for individual simulations or the command-line interface
for resumable parameter sweeps. PyRITE includes material catalogs, configurable
beams and detectors, trajectory export, and interactive analysis apps.
CPU execution is included; NVIDIA GPU acceleration is available through the
`nvidia` extra.

## Install

Requires Python 3.13 or newer.

```bash
pip install pyrite-mc
pyrite tables fetch
pyrite run quickstart
```

Reference physics tables are downloaded separately by `pyrite tables fetch`.
For NVIDIA GPUs, install `pyrite-mc[nvidia]` with compatible CUDA drivers.

## Research status and license

PyRITE is unvalidated research software under active development.

Distributed under the
[UCLA Academic Software License](https://github.com/Quantum-Light-Matter-Cooperative-QLMC/pyrite/blob/main/LICENSE.txt)
for educational or academic research use by academic or nonprofit researchers.
Commercial use requires separate licensing.

[Documentation](https://pyrite.readthedocs.io/en/latest/) ·
[Source code](https://github.com/Quantum-Light-Matter-Cooperative-QLMC/pyrite)
