physical analog (start at
3:25) &
explanation
The 2019 LAMMPS Workshop and Symposium was held Aug 13-15 in Albuquerque, NM --- program and talk/poster PDFs here
physical analog (start at
3:25) &
explanation
The 2019 LAMMPS Workshop and Symposium was held Aug 13-15 in Albuquerque, NM --- program and talk/poster PDFs here
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.
(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.
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)