HOOMD-blue is a general purpose particle simulation toolkit. It performs hard particle Monte Carlo simulations of a variety of shape classes, and molecular dynamics simulations of particles with a range of pair, bond, angle, and other potentials. HOOMD-blue runs fast on NVIDIA GPUs, and can scale across thousands of nodes. For more information, see the HOOMD-blue website.
- Documentation: Tutorial, full package Python API, usage information, and feature reference.
- Installation Guide: Instructions for installing and compiling HOOMD-blue.
- hoomd-users Google Group: Ask questions to the HOOMD-blue community.
- HOOMD-blue website: Additional information, benchmarks, and publications.
HOOMD-blue binaries are available in the glotzerlab-software Docker/Singularity images and for Linux and macOS via the hoomd package on conda-forge. See the Installation Guide for instructions on installing HOOMD-blue or compiling from source.
HOOMD-blue job scripts are Python scripts. You can control system initialization, run protocols, analyze simulation data, or develop complex workflows all with Python code in your job.
See CHANGELOG.rst.
Contributions are welcomed via pull requests. Please report bugs and suggest feature enhancements via the issue tracker. See CONTRIBUTING.md for more information.