LAMMPS Molecular Dynamics Simulator
lamp: a device that generates light, heat, or therapeutic radiation;
something that illumines the mind or soul -- www.dictionary.com
hover to animate -- input script
physical analog (start at
3:25) &
explanation
Big Picture | Code | Documentation | Results | Related Tools | Context | User Support |
Features | Download | Manual | Publications | Pre/Post Processing | Authors | Mail list |
Non-features | SourceForge | Developer Guide | Pictures | Pizza.py Toolkit | History | MD to LAMMPS glossary |
FAQ | Latest Features & Bug Fixes | Tutorials | Movies | Offsite LAMMPS packages | Funding | User Scripts and HowTos |
Wish list | Unfixed bugs | Commands | Benchmarks | Visualization | Open source | Workshops |
. | . | . | Citing LAMMPS | Other MD codes | . | Contribute to LAMMPS
|
LAMMPS is a classical molecular dynamics code, and an acronym for
Large-scale Atomic/Molecular Massively Parallel Simulator.
LAMMPS has potentials for soft materials (biomolecules, polymers) and
solid-state materials (metals, semiconductors) and coarse-grained or
mesoscopic systems. It can be used to model atoms or, more
generically, as a parallel particle simulator at the atomic, meso, or
continuum scale.
LAMMPS runs on single processors or in parallel using message-passing
techniques and a spatial-decomposition of the simulation domain. The
code is designed to be easy to modify or extend with new
functionality.
LAMMPS is distributed as an open source code under
the terms of the GPL. The current version can be downloaded
here. Links are also included to older F90/F77
versions. Periodic releases are also available on
SourceForge.
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 info and other
contributors. Funding for LAMMPS development has come primarily from
DOE (OASCR, OBER, ASCI, LDRD, Genomes-to-Life) and is acknowledged
here.
The LAMMPS WWW site is hosted by Sandia, which has this Privacy and
Security statement.
Search the LAMMPS WWW pages
Loading
Recent LAMMPS News
- (3/13) New fix
phonon command for calculating dynamical matrices
and phonon dispersion relations.
- (2/13) New fix
rigid/small command for modeling large numbers of
small rigid bodies more scalably in parallel.
- (2/13) New body package
for working with generalized aspherical particles.
- (1/13) Pre-built LAMMPS executable
available as a Ubuntu Linux package and Mac OS X
package.
- (12/12) Significant features added to
LAMMPS in the last quarter of 2012 include file-style
variables, compute
inertia/molecule, pair_style
mie/cut, enhanced fix gcmc for
molecules, pair_style mean/sw/spline,
angle_style fourier, angle_style
fourier/simple, angle_style
quartic, dihedral_style
fourier, dihedral_style
nharmonic, dihedral_style
quadratic, improper_style
fourier, various improvements to the new
kspace_style msm, an extension of
kspace_style pppm to enable grid communication
even when running on tiny sub-domains per processor, kspace_style
pppm/disp for long-range LJ interactions, and
the moltemplate molecular pre-processing
package. See authors here and details here
- (11/12) Released a molecular version
of GCMC.
- (10/12) Added the moltemplate molecular
builder tool to the LAMMPS distro.
- (9/12) Significant features added to
LAMMPS in the third quarter of 2012 include a 2-FFT option for
kspace_style pppm, a new multilevel summation
method long-range solvers kspace_style msm,
fix rigid/npt and fix
rigid/nph, a new Fortran wrapper on the LAMMPS
library, compute
erotate/sphere/atom, compute
contact/atom, pair_style
lj/cut/coul/dsf and coul/dsf,
and a simplification of the Python interface to
LAMMPS that now works entirely thru shared
libraries. See authors here and details
here
- (8/12) Added GPU benchmark
data for the Titan Development supercomputer at ORNL
(used to be Jaguar), with timings on up to 512 GPU-enabled
nodes.
- (8/12) Added constant pressure options
for simlulating rigid bodies in the NPT or NPH ensembles, via the fix
rigid/npt and fix rigid/nph
commands.
- (6/12) Significant features added to
LAMMPS in the second quarter of 2012 include an option to have both
kinds of restart file output simultaneously,
compute group/group with kspace option,
pair_style lcbop, fix restrain for bonds and
angles, improper_style
cossq, improper_style
ring, fix colvars
command and a USER-COLVARS package,
read_dump command, added optional variable
dependence to many commands, rerun
command, USER-MOLFILE package and dump
molfile command, faster TIP4P water
potential, fix balance, fix
rigid input of user-defined moments of inertia for
overalpped rigid bodies, granular rigid bodies with the correct
effective mass in the GRANULAR package,
and pair_style bop. See authors
here and details here
- (6/12) Added a static and dynamic load
balance via the balance and fix
balance commands, for use with problems where
particles do not fill the simulation box uniformly.
- (6/12) Added rerun and
read_dump commands to allow dump files to be
reprocessed by LAMMPS.
- (5/12) Added a USER-COLVARS package and
fix colvars command to interface LAMMPS to an
open-source collective variables package for the calculation of
potentials of mean force (PMFs) in various scenarios.
- (3/12) Significant features added to
LAMMPS in the first quarter of 2012 include pair_style
lj/smooth/linear, fix
reax/c/bonds, angle_style
dipole, dihedral_style
table, more GPU-enabled pair styles in the
GPU package, quit command,
pair_style kim, pair_style
meam/spline, pair_style
beck, new forcezero linesearch method for
minimization, change_box
command, balance command, per-atom energy and
virial tabulation for KSpace solvers,
reworking of the accuracy criteria for Kspace
solvers, and a general capability for building
for Windows with packages, using
Visual Studio. See authors here and details
here
- (2/12) Added per-atom energy and virial
tallying to the long-range PPPM and Ewald solvers used via the
kspace_style command.
- (1/12) Added a pair_style
kim to support use of potentials archived by the
Knowlegebase of Interatomic Models (KIM)
project.
- Old
LAMMPS Highlight
(see the Pictures and
Movies pages for more examples of LAMMPS
calculations)
This is work by Sergey Zybin (zybin at wag.caltech.edu) and
collaborators at Caltech to model shock-induced instabilities in
explosive materials which have heterogeneous features, such as defects
or interfaces, using the ReaxFF force field.
The figure shows shock loading of PBX in a 3.6M atom model with a
saw-tooth interface between RDX and its polymer binder. The color
represents slip which is highest at the interface.
This paper has further details:
Elucidation of the dynamics for hot-spot initiation at nonuniform
interfaces of highly shocked materials, Qi An, Sergey V. Zybin,
William A. Goddard III, Andres Jaramillo-Botero, Mario Blanco, and
Sheng-Nian Luo, Phys Rev B, 84, 220101 (2011).
(abstract)