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@akohlmey akohlmey released this Jul 25, 2019 · 496 commits to master since this release

Changes since patch release 18 June 2019:

  • optimized version of SNAP potential in KOKKOS package, Rahul Gayatri (NERSC), Stan Moore (SNL), Aidan Thompson (SNL), Sarah Anderson (Cray), Evan Weinberg (NVIDIA): PR #1571, PR #1540
  • several fixes for KOKKOS package issues, Stan Moore (SNL): PR #1555, PR #1560, PR #1563
  • update KOKKOS library included in LAMMPS to version 2.9.00, Stan Moore (SNL): PR #1546
  • change namespace scoping for some code in the GPU library to resolve issues with CLang 7.x and later, Axel Kohlmeyer (Temple U): PR #1564
  • improved error detection when parsing various kinds of files, Axel Kohlmeyer (Temple U): PR #1575, PR #1552, PR #1559
  • small refactoring for USER-MEAMC to move redundant code to an inline function, optimizations, Sebastian Hütter (OvGU): PR #1551
  • refactor handling of nested input file handling and single command execution; this allows to use the include keyword inside of if/then/else and results in the correct order of commands, when LAMMPS commands request reading of include files; limit level of include file nesting, Axel Kohlmeyer (Temple U): PR #1537
  • updates for USER-CGDNA package, Oliver Henrich (U Strathclyde): PR #1573
  • implementation of inner/middle/outer compute methods for cutoff based r-RESPA in pair style lj/class2/coul/long, Evangelos Voyatzis (Royal DSM): PR #1535
  • lots of small bugfixes and improvements to code, docs and cmake configuration scripts, various contributors: PR #1553, PR #1558, PR #1561, PR #1562, PR #1567, PR #1570, PR #1544, PR #1550, PR #1538, PR #1547, PR #1539, PR #1525, PR #1534, PR #1531, PR #1530

Backward compatibility notice:

  • changes in the pair_coeff syntax breaks backward compatibility with inputs using USER-CGDNA. pair style oxdna2/stk has been removed and aliased to oxdna/stk.
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