LAMMPS is a classical molecular dynamics code with a focus on materials modeling.
Capabilities include:
- Potentials for solid-state materials (metals, semiconductors)
and soft matter (biomolecules, polymers) and coarse-grained or mesoscopic systems. It can be used to model atoms or, more generically, as a parallel particle simulator at the atomic, meso, or continuum scale.
- Runs on single processors or in parallel using message-passing techniques and a spatial-decomposition of the simulation domain. Many of its models have versions that provide accelerated performance on CPUs and GPUs. The code is designed to be easy to modify or extend with new functionality.
- Is distributed as an open source code under the terms of the GPLv2. The current version can be downloaded here. Links are also included to older versions. All LAMMPS development is done via GitHub, so all versions can also be accessed there.
LAMMPS main authors are listed on this page along with contact info and other contributors. Funding for LAMMPS development has come primarily from the US Department of Energy (OASCR, OBER, ASCI, LDRD, Genomes-to-Life) and is acknowledged here.
https://www.lammps.org/index.html
Contacts:
Mark Stevens
Amalie Frischknecht
Gary Grest
LAMMPS - A flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales.
Thompson, A. P.; Aktulga, H. M.; Berger, R.; Bolintineanu, D. S.; Brown, W. M.; Crozier, P. S.; in 't Veld, P. J.; Kohlmeyer, A.; Moore, S. G.; Nguyen, T. D.; Shan, R.; Stevens, M. J.; Tranchida, J.; Trott, C.; Plimpton, S. J. Computer Physics Communications 2022, 271, 108171. doi.org/10.1038/ncomms3644