LAMMPS Patch Release Overview

Changes since stable release 12 December 2018:

  • small CMake cleanups and related docs improvements: PR #1266, PR #1268 (Christoph Junghans, LANL)
  • various small LAMMPS manual updates: PR #1265
  • packages MEAM and REAX have been removed: PR #1254 (Axel Kohlmeyer, Temple U)
  • issues with incorrect volume fluctuation for Nose-Hoover barostat fixes have been resolved: PR #1259(Aidan Thompson, SNL)
  • correctly detect suffixed versions of fix deform in fix nvt/sllod: PR #1255 (Stan Moore, SNL)
  • Improvements and corrections for CLASS2 pair styles: PR #1267, PR #1262 (Evangelos Voyatzis)
  • remove redundant element list arguments from pair style snap: PR #1243 (Aidan Thompson, SNL)
  • add option to delete atoms with fix bond/react: PR #1239 (Jake Gissinger, U Colorado)
  • first part of refactoring of Install.py scripts in the lib folder to move redundant code into a module and make scripts more portable. PR #1233 (Axel Kohlmeyer, Temple U)
  • enable read_dump to parallel process dump files written in parallel: PR #1179 (Steve Plimpton, SNL)
  • new lebedeva/z interlayer potential: PR #1230 (Zbigniew Kozioł, National Center for Nuclear Research, Otwock-Świerk, Poland), PR #1273
  • collected small bugfixes and improvements: PR #1258

Backward compatibility notices:

  • the syntax of the pair_style snap command has simplified by removing a redundant element specifier.
  • the REAX and MEAM packages and their (fortran) library code have been removed. For ReaxFF calculations, there are the pair styles reax/creax/c/kk, and reax/c/omp (USER-REAXC, KOKKOS, and USER-OMP package, respectively), and for MEAM calculations there is the USER-MEAMC package, which is fully compatible, and thus pair style meam remains available as an alias to meam/c.

Exxact Lamps Workstations and Servers

At Exxact Corporation, we offer fully customizable workstations and servers designed to accelerate your research with LAMMPS. Our powerful systems are fully turnkey and powered by the latest NVIDIA GPUs (RTX 2080 Ti, RTX 2080, GTX 1080 Ti, and more). To learn more, visit our website here!