Package Release Info


Update Info: Base Release
Available in Package Hub : 15 SP1





Change Logs

Version: 20180316-bp150.2.3
* Wed Mar 28 2018
- bump version to 20180316 (stable)
- many little bugfxes:
  * A potentially harmful bug was found and fixed in the pair_style reax/c command
- Added 858.patch to fix return value on ppc64
* Thu Mar 08 2018
- bump version to 20180308
- many little bugfxes:
  * Various small changes and bug fixes in preparation for a new stable version release
* Mon Mar 05 2018
- bump version to 20180222
- many little bugfxes:
  * added a pair lj/cut/coul/wolf command to enable Wolf treatment of Coulombic
  * added a new USER-MOFFF package which is an implementation of the MOF-FF (MOF force field)
  * added a new pair_style ufm command
* Sat Jan 27 2018
- bump version 20180117
- many little bugfxes:
  * new pair yukawa/kk command
  * new fix python/move command for time integration in Python
  * new pair extep command
  * tools/doxygen directory to build a Doxygen style call graph and API lists for LAMMPS
  * new pair snap/kk and pair zbl/kk commands
  * update of Kokkos library
  * improvements to pair reax/c command
  * new info coeffs command option
  * much faster replicate command for large systems when using many processors
  * improved setup performance for large systems on many processors with molecules and pppm
  * more informative error messages when evaluating variables
- dropped 30b482975a6a29db2265b44c4f27d6293eacb72f.patch, got merged
* Fri Jan 19 2018
- fix python install for openSUSE Factory
* Sat Nov 04 2017
- enable GPU support via OpenCL
- added 30b482975a6a29db2265b44c4f27d6293eacb72f.patch
* Wed Oct 25 2017
- bump version 20171023
- many little bugfxes:
  * added a new USER-UEF package
  * added a fix rhok command
  * added a bond_style gromos command compatible with the GROMOS force field.
  * added coreshell variants of the pair born/coul/wolf and pair coul/wolf potentials to the CORESHELL package.
* Wed Oct 25 2017
- adapt to new openlmi package - source mpivars.h during build
* Mon Sep 11 2017
- changes license to GPL-2.0 and GPL-3.0+ (#522368)
* Fri Sep 08 2017
- bump version to 20170901
- drop 573.diff, got merge upstream
- many little bugfxes:
  * added USER-MESO package
  * new compute aggregate/atom and compute fragment/atom commands
* Tue Aug 15 2017
- bump version to 20170811
- many little bugfxes:
* Mon Jul 24 2017
- RPM group fix.
* Fri Jul 21 2017
- bump version of 20170706 and move to cmake (upstream 573.diff)
- 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
  * 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
* Tue Apr 23 2013
- first package