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About the developer

glotzerlab
141 Stars 56 Forks BSD 3-Clause "New" or "Revised" License 14.8K Commits 149 Opened issues

Description

Molecular dynamics and Monte Carlo soft matter simulation on GPUs.

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HOOMD-blue

Citing HOOMD conda-forge conda-forge Downloads Azure Pipelines Read the Docs Contributors License

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.

Resources

Installation

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.

Job scripts

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.

Change log

See CHANGELOG.rst.

Contributing to HOOMD-blue

Contributions are welcomed via pull requests. Please report bugs and suggest feature enhancements via the issue tracker. See CONTRIBUTING.md for more information.

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