File lammps.changes of Package lammps
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Wed Mar 28 16:57:22 UTC 2018 - junghans@votca.org
- bump version to 20180316 (stable)
- many little bugfxes: http://lammps.sandia.gov/bug.html
* A potentially harmful bug was found and fixed in the pair_style reax/c command
- Added 858.patch to fix return value on ppc64
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Thu Mar 8 20:21:43 UTC 2018 - junghans@votca.org
- bump version to 20180308
- many little bugfxes: http://lammps.sandia.gov/bug.html
* Various small changes and bug fixes in preparation for a new stable version release
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Mon Mar 5 17:58:23 UTC 2018 - junghans@votca.org
- bump version to 20180222
- many little bugfxes: http://lammps.sandia.gov/bug.html
* 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
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Sat Jan 27 02:57:30 UTC 2018 - junghans@votca.org
- bump version 20180117
- many little bugfxes: http://lammps.sandia.gov/bug.html
* 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
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Fri Jan 19 22:34:55 UTC 2018 - junghans@votca.org
- fix python install for openSUSE Factory
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Sat Nov 4 00:21:36 UTC 2017 - junghans@votca.org
- enable GPU support via OpenCL
- added 30b482975a6a29db2265b44c4f27d6293eacb72f.patch
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Wed Oct 25 23:32:43 UTC 2017 - junghans@votca.org
- bump version 20171023
- many little bugfxes: http://lammps.sandia.gov/bug.html
* 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.
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Wed Oct 25 12:45:13 UTC 2017 - junghans@votca.org
- adapt to new openlmi package - source mpivars.h during build
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Mon Sep 11 13:13:20 UTC 2017 - junghans@votca.org
- changes license to GPL-2.0 and GPL-3.0+ (#522368)
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Fri Sep 8 15:44:59 UTC 2017 - junghans@votca.org
- bump version to 20170901
- drop 573.diff, got merge upstream
- many little bugfxes: http://lammps.sandia.gov/bug.html
* added USER-MESO package
* new compute aggregate/atom and compute fragment/atom commands
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Tue Aug 15 16:47:20 UTC 2017 - junghans@votca.org
- bump version to 20170811
- many little bugfxes: http://lammps.sandia.gov/bug.html
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Mon Jul 24 23:15:46 UTC 2017 - jengelh@inai.de
- RPM group fix.
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Fri Jul 21 14:47:34 UTC 2017 - junghans@votca.org
- 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
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
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Tue Apr 23 21:30:46 UTC 2013 - scorot@free.fr
- first package
