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Patch release 21 August 2020 Pre-release
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@akohlmey akohlmey released this
patch_21Aug2020
2a6546d

Changes since the patch release 21 July 2020:

  • New bond style "special" providing an alternate mechanism to what the "special_bonds" command does. With this one can also handle 1-5, 1-6 and beyond exclusions or scaling factors. (David Nicholson, MIT) PR #1865
  • New fix style "momentum/chunk" to allow per-chunk removal of center of mass and/or angular momentum (Jiang Xiao, Hong Kong Polytechnic U) PR #2295
  • Update of {fmtlib} to version 7.0.2, also change its internal ABI to avoid clashes with other uses of that library (Richard Berger, Temple U), PR #2276
  • Update tools/phonon with current release from its github repo (Ling-Ti Kong, Shanghai Jiao Tong U) PR #2258
  • Updates and bugfixes to tiled communication style to make it work with triclinic cells including load balancing support and support for multi-cutoff communication and the PPPM KSpace styles (Adrian Diaz, U Florida and Steve Plimpton, SNL) PR #1296, PR #1426, PR #2259, PR #2280
  • Performance optimizations for the KOKKOS version of SNAP (Evan Weinberg, NVIDIA) PR #2286
  • Update of KOKKOS package to support the HIP Kokkos backend for AMD GPUs (Stan Moore, SNL) PR #2275
  • Additional unit test input decks for pair and kspace styles and fixes for bugs detected by the tests (Abhishek Shandilya, RPI and Axel Kohlmeyer, Temple U) PR #2265, PR #2267, PR #2270, PR #2271, PR #2273, PR #2282, PR #2283, PR #2297
  • New unit test tools for lattice and region commands as well as fixes and a first collection of test inputs for the latter (Axel Kohlmeyer, Temple U) PR #2284, PR #2287
  • Refactor value parsing in various parts of LAMMPS and update binary dump styles and binary2atom to be consistent with current text mode atom and custom dump styles. Unittests for dump related commands (Richard Berger, Temple U) PR #2136
  • Refactor file parsing in fix ttm and fix ttm/mod (Axel Kohlmeyer, Temple U) PR #2264
  • Updates to documentation theme files, Windows subsystem for Linux Howto, and refactoring to reduce redundant text as well as splitting overfull pages (Richard Berger, Temple U) PR #2246, PR #2247, PR #2248, PR #2250
  • Various small updates and corrections (multiple authors) PR #2107, PR #2252, PR #2253 , PR #2254, PR #2255, PR #2256, PR #2260, PR #2263, PR #2266, PR #2278, PR #2279, PR #2281, PR #2285, PR #2289, PR #2291, PR #2292, PR #2293, PR #2298

Backward compatibility notice:

  • Binary restarts using pair styles ufm, buck/mdf, lennard/mdf, coul/shield, coul/diel, and morse/soft are not compatible with older versions of LAMMPS due to bugfixes in the restart handling of those pair styles.
  • Fixes temp/berendsen, temp/csvr, temp/csld, temp/rescale, fix spring/chunk and fix spring/rg now store their state in binary restart files