LAMMPS stable release 31 Mar 2017
·
40440 commits
to develop
since this release
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
KOKKOSandUSER-INTELpackages - bugfixes and refactoring of parts of
AIREBOandAIREBO-Maddressing some of the occasionally observed instabilities with the LAMMPS implementation - new interface to Multi-Scale Coarse-Graining tools of the Voth group via new
MSCGpackage withfix mscg - new pair styles
lj/charmmfsw/coul/charmmfshandlj/charmmfsw/coul/longand dihedral stylecharmmfshfor improved compatibility with the CHARMM code using recent versions of the CHARMM force field - several new styles in the
USER-MISCpackage - improved compatibility with Python 3 (now only the
PYTHONpackage is still Python 2 only), improvements toPyLammpsand its documentation - various updates and performance improvements for
USER-DPDpackage - updates and bugfixes to
USER-COLVARS - new package
USER-CGDNAfor coarse grained DNA simulations - new support for generalized replica exchange (gREM) via
temper/gremandfix gremcommands - 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
moltemplatetool - 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
xmoviesoftware - many little cleanups, bug fixes and removal of dead or obsolete code, including in the tools folder