LAMMPS Documentation

5 Sep 2018 version

What is a LAMMPS version?

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 mail list where users can post questions, and a “GitHub site”https://github.com/lammps/lammps where all LAMMPS development is coordinated.


PDF file of the entire manual, generated by htmldoc

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 Manual build doc page.

There is also a Developer.pdf document which gives a brief description of the basic code structure of LAMMPS.


This manual is organized into the following sections.

Once you are familiar with LAMMPS, you may want to bookmark this page since it gives quick access to a doc page for every LAMMPS command.

User Documentation

Indices and tables