Version info:

The LAMMPS "version" is the date when it was released, such as 1 May 2010. LAMMPS is updated continuously. Whenever we fix a bug or add a feature, we release it immediately, and post a notice on this page of the WWW site. Each dated copy of LAMMPS contains all the features and bug-fixes up to and including that version date. The version date is printed to the screen and logfile every time you run LAMMPS. It is also in the file src/version.h and in the LAMMPS directory name created when you unpack a tarball.

• If you browse the HTML doc pages on the LAMMPS WWW site, they always describe the most current version of LAMMPS.
• If you browse the HTML doc pages included in your tarball, they describe the version you have.
• The PDF file on the WWW site or in the tarball is updated about once per month. This is because it is large, and we don't want it to be part of very patch.

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 primary developers of LAMMPS are Steve Plimpton, Aidan Thompson, and Paul Crozier who can be contacted at sjplimp,athomps,pscrozi 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
   1.1 What is LAMMPS
   1.2 LAMMPS features
   1.3 LAMMPS non-features
   1.4 Open source distribution
   1.5 Acknowledgments and citations
   
2. Getting started
   2.1 What's in the LAMMPS distribution
   2.2 Making LAMMPS
   2.3 Making LAMMPS with optional packages
   2.4 Building LAMMPS as a library
   2.5 Running LAMMPS
   2.6 Command-line options
   2.7 Screen output
   2.8 Running on GPUs
   2.9 Tips for users of previous versions
   
3. Commands
   3.1 LAMMPS input script
   3.2 Parsing rules
   3.3 Input script structure
   3.4 Commands listed by category
   3.5 Commands listed alphabetically
   
4. How-to discussions
   4.1 Restarting a simulation
   4.2 2d simulations
   4.3 CHARMM and AMBER force fields
   4.4 Running multiple simulations from one input script
   4.5 Multi-replica simulations
   4.6 Granular models
   4.7 TIP3P water model
   4.8 TIP4P water model
   4.9 SPC water model
   4.10 Coupling LAMMPS to other codes
   4.11 Visualizing LAMMPS snapshots
   4.12 Triclinic (non-orthogonal) simulation boxes
   4.13 NEMD simulations
   4.14 Extended spherical and aspherical particles
   4.15 Output from LAMMPS (thermo, dumps, computes, fixes, variables)
   4.16 Thermostatting, barostatting, and compute temperature
   4.17 Walls
   4.18 Elastic constants
   4.19 Library interface to LAMMPS
   4.20 Calculating thermal conductivity
   4.21 Calculating viscosity
   
5. Example problems
6. Performance & scalability
7. Additional tools
8. Modifying & Extending LAMMPS
9. Python interface
   9.1 Extending Python with a serial version of LAMMPS
   9.2 Creating a shared MPI library
   9.3 Extending Python with a parallel version of LAMMPS
   9.4 Extending Python with MPI
   9.5 Testing the Python-LAMMPS interface
   9.6 Using LAMMPS from Python
   9.7 Example Python scripts that use LAMMPS
   
10. Errors
    10.1 Common problems
    10.2 Reporting bugs
    10.3 Error & warning messages
    
11. Future and history
    11.1 Coming attractions
    11.2 Past versions