@akohlmey akohlmey released this Oct 23, 2018 · 497 commits to master since this release

Assets 2

Changes since patch release 10 October 2018

  • new compute adf style for computing angular distribution functions (like rdf but over atom triple angles), plus simple example for water showcasing use of both, rdf and adf, PR #1168
  • port of styles pair gran/hooke/history, fix freeze, fix gravity, and fix nve/sphere from the GRANULAR package to KOKKOS, PR #988
  • updates and bugfixes for USER-INTEL as well as support for use with pair style hybrid, PR #1156 , PR #1157
  • multiple minor updates and bugfixes, PR #1155
  • improved checks for using USER-INTEL styles with hybrid pair styles, PR #1159
  • make USER-PTM package compile on Windows with MinGW64, PR #1160
  • try to prevent cmake builds inside the source tree, PR #1136, PR #1166
  • avoid failed atom creation due to rounding issues when creating individual atoms in triclinic cells with periodic boundaries and active remap flag, PR #1158, PR #1167
  • change -restart flag into -restart2data and add -restart2dump, PR #1162
  • workaround for compilation errors of fix momentum/kk with newer GNU compilers for parallel_for() constructs, #PR1169. this addresses the problem raised in issue #1045
  • add code to fix halt, so it can be used with minimizations, PR #1164
  • refactor KSpace classes, so they have a settings() like all other "force" styles, PR #1165, PR #1174
  • add "DEPRECATED" styles for all add-on classes, so there can be a meaningful error message when features are removed from LAMMPS, PR #1148
  • more documentation updates and fixes, PR #1152

Backward compatibility notice:
The command line flags -restart and -r are no longer available. They have been replaced by -restart2data and -r2data, respectively.