LAMMPS is a classical molecular dynamics code with a focus on materials modeling. It's an acronym for Large-scale Atomic/Molecular Massively Parallel Simulator.

You can download LAMMPS as a tarball from this page, using the links below. There are several ways to get the LAMMPS software, either as a tarball, or from an active repository, or in executable form:

Dec 10, 2025 · LAMMPS is a classical molecular dynamics simulation code focusing on materials modeling. It was designed to run efficiently on parallel computers and to be easy to extend and modify.

They are a collection of step-by-step tutorials for building and simulating several different kinds of systems addressed at beginners and intermediate users. The tutorials are tightly integrated with …

LAMMPS uses neighbor lists to keep track of nearby particles. The lists are optimized for systems with particles that are repulsive at short distances, so that the local density of particles never becomes too …

When you download and install pre-compiled LAMMPS executables, you are limited to install which version of LAMMPS is available and which features are included of these builds.

A handful of pre- and post-processing tools are packaged with LAMMPS, some of which can convert input and output files to/from formats used by other codes; see the Tools page.

These doc pages describe how to perform various tasks with LAMMPS, both for users and developers. The glossary website page also lists MD terminology, with links to corresponding LAMMPS manual …

The LAMMPS library is compiled as a shared library and the LAMMPS Python module is installed, so that it is possible to load LAMMPS into a Python interpreter. The installer site also has instructions on …

This is a simple FAQ for the LAMMPS molecular dynamics package. It mainly points to pages within the LAMMPS documentation or pages of the LAMMPS website.