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LAMMPS Documentation

(21 May 2008 version of LAMMPS)

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

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

The developers of LAMMPS are Steve Plimpton, Paul Crozier, and Aidan Thompson who can be contacted at sjplimp,pscrozi,athomps at sandia.gov. The LAMMPS WWW Site at http://lammps.sandia.gov has more information about the code and its uses.


The LAMMPS documentation is organized into the following sections. If you find errors or omissions in this manual or have suggestions for useful information to add, please send an email to the developers so we can improve the LAMMPS documentation.

Once you are familiar with LAMMPS, you may want to bookmark this page at Section_commands.html#comm since it gives quick access to documentation for all LAMMPS commands.

PDF file of the entire manual, generated by htmldoc

  1. Introduction
  2. Getting started
  3. Commands
  4. How-to discussions
  5. Example problems
  6. Performance & scalability
  7. Additional tools
  8. Modifying & Extending LAMMPS
  9. Errors
  10. Future and history