LAMMPS Patch Release Overview

What is LAMMPS primarily used for?

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.

Changes since the patch release 15 April 2020:

  • update of the bundled Kokkos library to version 3.1 (Stan Moore and the Kokkos developers, SNL) PR #2004, PR #2054
  • new Kokkos styles compute orientorder/atom and coord/atom and some related bugfixes/improvements (Stan Moore, SNL) PR #1895, PR #1902, PR #1906, PR #2033
  • new fix accelerate/cos and compute viscosity/cos in USER-MISC as yet another method to compute viscosity (Zheng Gong, École normale supérieure de Lyon) PR #2019
  • update of the polymorphic pair style with bug fixes and a new feature (Xiaoweng Zhou, SNL) PR #2000
  • added option to create a dummy fix as a placeholder early in an input to guarantee placement at the top of the list of fixes. (Steve Plimpton, SNL) PR #1760
  • update to fix bond/react to allow using equal style variables a probability input (Wolfgang Verestek, U Stuttgart) PR #2013
  • small update to internal commands in kim_interactions to improve KIM simulator model handling (Ronald Miller Carleton U, Ryan S. Elliott U Minn), PR #2014
  • many small fixes and updates to source code (mainly for the KOKKOS package), cmake scripts, and documentation to address issues with recent changes and minor long-standing issues. (multiple authors) PR #2003, PR #2006, PR #2010, PR #2015, PR #2022, PR #2023, PR #2026, PR #2027, PR #2030, PR #2032, PR #2035, PR #2036, PR #2041, PR #2043, PR #2044, PR #2045, PR #2046, PR #2047, PR #2048, PR #2049, PR #2051, PR #2053, PR #2055

Backward compatibility notices:

  • no known issues

This release has 2 assets:

  • Source code (zip)
  • Source code (tar.gz)

Visit the release page to download them.

New LAMMPS Patch released from Sandia

About LAMMPS

LAMMPS (Large-scale Atomic/Molecular Massiveley Parallel Simulator) is an open-source molecular dynamics simulator written in C++ from Sandia National Laboratories, and is designed for parallel machines. LAMMPS models an ensemble of particles in a liquid, solid or gaseous state. It can model atomic polymeric, biological, metallic, or mesoscale systems using a variety of force fields and boundary conditions and is easily extensible.