https://github.com/mphowardlab/lammpsio

Python tools for working with LAMMPS files
https://github.com/mphowardlab/lammpsio

lammps molecular-dynamics python

Last synced: 5 months ago
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Python tools for working with LAMMPS files

• Host: GitHub
• URL: https://github.com/mphowardlab/lammpsio
• Owner: mphowardlab
• License: bsd-3-clause
• Created: 2021-09-07T22:27:00.000Z (almost 5 years ago)
• Default Branch: main
• Last Pushed: 2025-12-12T18:38:22.000Z (6 months ago)
• Last Synced: 2025-12-12T18:58:14.087Z (6 months ago)
• Topics: lammps, molecular-dynamics, python
• Language: Python
• Homepage: https://lammpsio.readthedocs.io
• Size: 555 KB
• Stars: 14
• Watchers: 2
• Forks: 3
• Open Issues: 8
• Metadata Files:
  • Readme: README.md
  • Changelog: CHANGELOG.md
  • License: LICENSE
  • Code of conduct: CODE_OF_CONDUCT.md

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README

          
# 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).