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
LAMMPS is a classical molecular dynamics code with a focus on
materials modeling. It's an acronym for Large-scale Atomic/Molecular
Massively Parallel Simulator.
LAMMPS has potentials for solid-state materials (metals,
semiconductors) and soft matter (biomolecules, polymers) 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. Many
of its models have versions that provide accelerated performance on
CPUs, GPUs, and Intel Xeon Phis. 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 versions. All
LAMMPS development is done via
GitHub, so all versions can also be
accessed there. Periodic releases are also posted to
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 web site is hosted by Sandia, which has this Privacy and
Security statement.
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Recent LAMMPS News
(10/20) New stable release, 29Oct20
version. See details
here
(10/20) New Progammers Guide
section
of the manual with info on the library API in several languages and
use of Python with LAMMPS.
(8/20) Support for tiled (load-balanced)
decompositions with long-range Coulombics (PPPM), triclinic simulation
boxes, and multi-style neighboring. See details
here
(6/20) New MLIAP package (machine learned
interatomic potentials) to enable ML desciptors and modeled to be
developed independently and mixed and matched. See details
here
(4/20) Support for AMD GPUs and its ROCm
interface via the GPU package. See details
here
(3/20) New stable release, 3Mar20
version. See details
here
(2/20) Improved version of the FIRE
minimizer. See details here
(8/19) New stable release, 7Aug19
version. See details
here
(6/19) New stable release, 5Jun19
version. See details
here
(12/18) New stable release, 12Dec18
version. See details
here
(11/18) New hyper command for running
time-accelerated global or local hyperdynamics simulations. See
details here.
(10/18) Kokkos support (GPU) for
granular interactions. See details here.
(10/18) New USER-PTM package for
performing a polyhedral template matching analysis to characterize
local structure. See details
here.
(9/18) New USER-SCAFACOS package for
using the ScaFaCoS library from LAMMPS. See details
here.
(9/18) New MESSAGE package for
client/server coupling between LAMMPS and another code via the
CSlib. See details
here.
(8/18) New stable release, 22Aug18
version. See details
here
(8/18) New CMake option for building
LAMMPS and all of its packages, as an alternative to traditional make.
See details here.
(6/18) New SPIN package for modeling the
dynamics of magnetic atomic spins, coupled to the usual MD motion of
atoms. See details here.
(5/18) New fix bond/react command to
enable simulation of one or more complex heuristic reactions that
rearrange molecular topology. See details
here.
(3/18) New stable release, 16Mar18
version. See details
here.
- Old new
LAMMPS Highlight
(see the Pictures and
Movies pages for more examples of LAMMPS
calculations)
Blood flow in capillaries
This is work by Kirill Lykov (kirill.lykov at usi.ch), Xuejin Li et al
at the USI, Switzerland and Brown University, USA to develop new Open
Boundary Condition (OBC) methods for particle-based methods suitable
to simulate flow of deformable bodies in complex computational domains
with several inlets and outlets.
The image (left) and movie (right) show the application of the OBCs to
red blood cell flow in a straight pipe, bifurcation, and a part of a
capillary network. The program Blender was used for the rendering.
This paper has further details.
Inflow/Outflow Boundary Conditions for Particle-Based Blood Flow
Simulations: Application to Arterial Bifurcations and Trees, K.
Lykov, X. Li, H. Lei, I. V. Pivkin, G. E. Karniadakis, PLoS
Computational Biology 11(8): e1004410
(2015). (doi:10.1371/journal.pcbi.1004410)
(abstract)