Metadata-Version: 2.4
Name: lammpsio
Version: 0.10.0
Summary: Python tools for working with LAMMPS
Home-page: https://github.com/mphowardlab/lammpsio
Author: Michael P. Howard
Author-email: mphoward@auburn.edu
Project-URL: Source Code, https://github.com/mphowardlab/lammpsio
Project-URL: Issue Tracker, https://github.com/mphowardlab/lammpsio/issues
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: BSD License
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Scientific/Engineering :: Physics
Classifier: Programming Language :: Python :: 3.12
Classifier: Programming Language :: Python :: 3.13
Classifier: Programming Language :: Python :: 3.14
Requires-Python: >=3.12
Description-Content-Type: text/markdown
License-File: LICENSE
Requires-Dist: numpy>=2.1
Requires-Dist: packaging
Dynamic: license-file

# lammpsio

[![PyPI version](https://img.shields.io/pypi/v/lammpsio.svg)](https://pypi.org/project/lammpsio)
[![PyPI downloads](https://img.shields.io/pypi/dm/lammpsio)](https://pypi.org/project/lammpsio)
[![Conda](https://img.shields.io/conda/dn/conda-forge/lammpsio)](https://anaconda.org/conda-forge/lammpsio)

`lammpsio` provides a Python interface for reading and writing LAMMPS
data and dump files. It also enables interconversion with HOOMD-blue's
GSD format. This flexible package enables users to work with LAMMPS files
in a variety of ways that improve workflow efficiency and reproducibility.

`lammpsio` is a pure Python package that can be installed using `pip`:

    pip install lammpsio

or `conda`:

    conda install -c conda-forge lammpsio

Our [documentation](https://lammpsio.readthedocs.io) includes installation,
examples, and commands.

## Citing lammpsio

When using `lammpsio` in published work, please cite:
> C. L. Petix, M. Kundu, and M. P. Howard, "lammpsio: Transparent and reproducible handling of LAMMPS particle data in Python." Journal of Open Source Software 10, 8962 (2025); [doi:10.21105/joss.08962](https://doi.org/10.21105/joss.08962).

## Acknowledgements

Development of `lammpsio` was supported by a fellowship from The Molecular
Software Sciences Software Institute under National Science Foundation Award No.
2136142 and by the National Science Foundation under Award No. 2310724.

Any opinions, findings and conclusions or recommendations expressed in this
material are those of the author(s) and do not necessarily reflect the views of
the National Science Foundation.
