This article is a draft

This is not a complete article: This is a draft, a work in progress that is intended to be published into an article, which may or may not be ready for inclusion in the main wiki. It should not necessarily be considered factual or authoritative.

General

LAMMPS is a classical molecular dynamics code, and an acronym for Large-scale Atomic / Molecular Massively Parallel Simulator. LAMMPS is distributed by Sandia National Laboratories, a US Department of Energy laboratory. The main authors of LAMMPS are listed on this page along with contact information and other contributors. Funding for LAMMPS development has come primarily from DOE (OASCR, OBER, ASCI, LDRD, Genomes-to-Life) and is acknowledged here.

Project web site: http://lammps.sandia.gov/
Documentation: Online Manual.
Features: http://lammps.sandia.gov/features.html
Downloads: http://lammps.sandia.gov/download.html
GitHub: https://github.com/lammps/lammps
Mailing List: http://lammps.sandia.gov/mail.html

Code Layout

C++ and Object-Oriented approach.
Parallelization via MPI and OpenMP; runs on GPU.
Is invoked by commands through input scripts.
Possibility to customize the output.
Could be interfaced with other codes.

Force fields and examples

Force fields classified by Material

Biomolecules: CHARMM, AMBER, OPLS, COMPASS (class 2), long-range Coulombics via PPPM, point dipoles, ...
Polymers: all-atom, united-atom, coarse-grain (bead-spring FENE), bond-breaking, …
Materials: EAM and MEAM for metals, Buckingham, Morse, Yukawa, Stillinger-Weber, Tersoff, EDIP, COMB, SNAP, ...
Chemistry: AI-REBO, REBO, ReaxFF, eFF
Mesoscale: granular, DPD, Gay-Berne, colloidal, peri-dynamics, DSMC...
Hybrid: can use combinations of potentials for hybrid systems: water on metal, polymers/semiconductor interface, colloids in solution, …

Potential classified by Functional Form

Pairwise potentials: Lennard-Jones, Buckingham, ...
Charged Pairwise Potentials: Coulombic, point-dipole
Manybody Potentials: EAM, Finnis/Sinclair, modified EAM (MEAM), embedded ion (EIM), Stillinger-Weber, Tersoff, AI-REBO, ReaxFF, COMB
Coarse-Grained Potentials: DPD, GayBerne, ...
Mesoscopic Potentials: granular, peri-dynamics
Long-Range Electrostatics: Ewald, PPPM, MSM
Implicit Solvent Potentials: hydrodynamic lubrication, Debye
Force-Field Compatibility with common: CHARMM, AMBER, OPLS, GROMACS options