semvec/pypi-packages huggingface dataset:
xrd-rust-calculator 0.1.0
Fast XRD pattern calculator with Rust acceleration (5-10x faster than original pymatgen implementation)
License: MIT
Requires Python: >=3.8
Keywords: xrd, crystallography, materials-science, rust, pymatgen

# 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
Select the version depending on your Python version and Linux/Mac (Python Version 3.13 currently not supported).
For istance, to install for Python 3.12, write:
1) pip install https://github.com/bracerino/xrd_rust/releases/download/v0.1.2/xrd_rust_calculator-0.1.0-cp312-cp312-manylinux_2_17_x86_64.manylinux2014_x86_64.whl