LAMMPS

LAMMPS is a classical molecular dynamics code with a focus on materials modeling. It can be used to model atoms or, more generically, as a parallel particle simulator at the atomic, meso, or continuum scale.

LAMMPS 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 or GPUs.

LAMMPS is distributed as an open source code under the terms of the GPL.

The main authors of LAMMPS are listed on https://lammps.sandia.gov/authors.html along with contact info and other contributors. Funding for LAMMPS development has come primarily from DOE (OASCR, OBER, ASCI, LDRD, Genomes-to-Life).