@akohlmey akohlmey released this Jan 4, 2019 · 25 commits to master since this release

Assets 2

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 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/c, reax/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.