Changelog for lammps-data-20181212-1.1.noarch.rpm :

* Tue Dec 11 2018 Christoph Junghans - bump version to 20181212 (stable)
* general: + major improvements to building LAMMPS with CMake. + significant consolidation and improved consistency of the manual after the refactoring for the last stable release + reduced risk of memory/buffer overflows by replacing most uses of sprintf() by snprintf()
* new packages + USER-PLUMED package with a native interface (no more patching) + USER-SDPD package for smoothed dissipative particle dynamics (SDPD) + USER-PTM package for polyhedral template matching analysis to characterize local structure + new kspace style scafacos, which interfaces to the ScaFaCoS library of long-range coulomb solvers.
* updates for packages: + USER-COLVARS: updates and bugfixes + REPLICA: added support for (local and global) hyperdynamics + KOKKOS: updated Kokkos library, added several KOKKOS versions of styles from the GRANULAR package + USER-INTEL: updates, bugfixes and improved support for using + USER-MISC: new styles, compute pressure/cylinder, fix ffl (fast forward langevin), bugfixes and improvements + Many small bugfixes, corrections for memory leaks and memory management inconsistencies and general improvements.
* Backward compatibility notices: + the command line flags -restart and -r are no longer available. + the naming conventions for the group name of groups maintained by fix bond/react have changed. + pair styles in the USER-SPH package no longer support Pair::single(). + the meaning of the sign of mu in fix atom/swap has been reversed to be consistent with usual conventions. + the default installation prefix for CMake based compilation has been changed from /usr/local to $HOME/.local
* Wed Aug 22 2018 junghansAATTvotca.org- bump version to 20180822 (stable)
* New CMake option for building LAMMPS and all of its packages, as an alternative to traditional make
* Restructured documentation
* DEM polygonal and polyhedron particles
* new compute entropy/atom command
* New SPIN package for modeling the dynamics of magnetic atomic spins
* New fix bond/react command to enable simulation of one or more complex heuristic reactions
* New USER-BOCS package
* Fixes memory leaks caused when using the GPU package and OpenCL
* Various other small updates and bugfixes- drop 858.patch - merged upstream
* Wed Mar 28 2018 junghansAATTvotca.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
* Thu Mar 08 2018 junghansAATTvotca.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
* Mon Mar 05 2018 junghansAATTvotca.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
* Sat Jan 27 2018 junghansAATTvotca.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
* Fri Jan 19 2018 junghansAATTvotca.org- fix python install for openSUSE Factory
* Sat Nov 04 2017 junghansAATTvotca.org- enable GPU support via OpenCL- added 30b482975a6a29db2265b44c4f27d6293eacb72f.patch
* Wed Oct 25 2017 junghansAATTvotca.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.
* Wed Oct 25 2017 junghansAATTvotca.org- adapt to new openlmi package - source mpivars.h during build
* Mon Sep 11 2017 junghansAATTvotca.org- changes license to GPL-2.0 and GPL-3.0+ (#522368)
* Fri Sep 08 2017 junghansAATTvotca.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
* Tue Aug 15 2017 junghansAATTvotca.org- bump version to 20170811- many little bugfxes: http://lammps.sandia.gov/bug.html
* Mon Jul 24 2017 jengelhAATTinai.de- RPM group fix.
* Fri Jul 21 2017 junghansAATTvotca.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
* Tue Apr 23 2013 scorotAATTfree.fr- first package