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cuRDF documentation
===================

cuRDF computes GPU-accelerated radial distribution functions from ASE
structures and MDAnalysis trajectories using NVIDIA ALCHEMI Toolkit-Ops and
PyTorch.

Start with the quickstart to install the package and compute a curve. The
methods page explains normalization and periodic boundaries. The API reference
lists parameters and output formats, and troubleshooting covers setup and
input errors.

.. toctree::
   :maxdepth: 2
   :caption: Contents:

   quickstart
   methods
   api
   troubleshooting

Citation
--------
- DOI: https://doi.org/10.5281/zenodo.20613283
- See ``CITATION.cff`` in the repo for citation metadata.