Metadata-Version: 2.4
Name: xrd-rust
Version: 0.2.0
Classifier: Development Status :: 4 - Beta
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: MIT License
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.8
Classifier: Programming Language :: Python :: 3.9
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Classifier: Programming Language :: Python :: 3.12
Classifier: Programming Language :: Rust
Requires-Dist: numpy>=1.20
Requires-Dist: pymatgen>=2023.0.0
Requires-Dist: orjson>=3.8.0
Summary: Fast XRD pattern calculator with Rust acceleration (5-10x faster than original pymatgen implementation)
Keywords: xrd,crystallography,materials-science,rust,pymatgen
Author-email: Miroslav Lebeda <lebedmi2@cvut.cz>
License: MIT
Requires-Python: >=3.8
Description-Content-Type: text/markdown; charset=UTF-8; variant=GFM
Project-URL: Homepage, https://github.com/bracerino/xrd-rust
Project-URL: Issues, https://github.com/bracerino/xrd-rust/issues
Project-URL: Repository, https://github.com/bracerino/xrd-rust

# XRD-Rust
Compute XRD patterns using the pymatgen XRDCalculator, with performance-critical components rewritten in Rust to achieve on average⚡5 - 10× speedup. More peaks and more atoms in your structure, more speedup. 

## How to install it
Write into console:
pip install xrd-rust-calculator

 

