LAMMPS version 22 Oct 2020 Documentation

LAMMPS stands for Large-scale Atomic/Molecular Massively Parallel Simulator.

LAMMPS is a classical molecular dynamics simulation code with a focus on materials modeling. It was designed to run efficiently on parallel computers. It was developed originally at Sandia National Laboratories, a US Department of Energy facility. The majority of funding for LAMMPS has come from the US Department of Energy (DOE). LAMMPS is an open-source code, distributed freely under the terms of the GNU Public License (GPL).

The LAMMPS website has a variety of information about the code. It includes links to an on-line version of this manual, a mailing list where users can post questions, and a GitHub site where all LAMMPS development is coordinated.


The content for this manual is part of the LAMMPS distribution. You can build a local copy of the Manual as HTML pages or a PDF file, by following the steps on the Build the LAMMPS documentation page. The manual is organized in two parts: 1) the User Guide for how to install and use LAMMPS and 2) the Programmer Guide for how to write programs using the LAMMPS library from different programming languages and how to modify and extend LAMMPS.

Once you are familiar with LAMMPS, you may want to bookmark this page since it gives quick access the documentation for all LAMMPS commands.


User Guide

User Guide

Indices and tables