@akohlmey akohlmey released this Mar 30, 2017 · 3424 commits to master since this release

Assets 2

Notable new features in this release are:

  • refactoring of the neighbor list construction to be more modular and extensible from packages. active neighbor list modules are reported in the output
  • updates, performance improvements and new styles for the KOKKOS and USER-INTEL packages
  • bugfixes and refactoring of parts of AIREBO and AIREBO-M addressing some of the occasionally observed instabilities with the LAMMPS implementation
  • new interface to Multi-Scale Coarse-Graining tools of the Voth group via new MSCG package with fix mscg
  • new pair styles lj/charmmfsw/coul/charmmfsh and lj/charmmfsw/coul/long and dihedral style charmmfsh for improved compatibility with the CHARMM code using recent versions of the CHARMM force field
  • several new styles in the USER-MISC package
  • improved compatibility with Python 3 (now only the PYTHON package is still Python 2 only), improvements to PyLammps and its documentation
  • various updates and performance improvements for USER-DPD package
  • updates and bugfixes to USER-COLVARS
  • new package USER-CGDNA for coarse grained DNA simulations
  • new support for generalized replica exchange (gREM) via temper/grem and fix grem commands
  • support for treating spherical particles as 2d discs
  • improvements for load balancing via recursive bisectioning
  • new SNAP potential for tungsten and tungsten/helium systems
  • updated version of the bundled moltemplate tool
  • updated tutorial for submitting additions and changes to LAMMPS via GitHub
  • improvements to the documentation build tools
  • ambiguous hyperlinks in documentation are made unique
  • spellchecked documentation and comments
  • removed the obsolete xmovie software
  • many little cleanups, bug fixes and removal of dead or obsolete code, including in the tools folder