Revisions of lammps
buildservice-autocommit
accepted
request 570158
from
Christoph Junghans (cjunghans)
(revision 43)
baserev update by copy to link target
Christoph Junghans (cjunghans)
accepted
request 570157
from
Christoph Junghans (cjunghans)
(revision 42)
- 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
buildservice-autocommit
accepted
request 567911
from
Christoph Junghans (cjunghans)
(revision 41)
baserev update by copy to link target
Christoph Junghans (cjunghans)
committed
(revision 40)
Christoph Junghans (cjunghans)
accepted
request 567813
from
Christoph Junghans (cjunghans)
(revision 39)
- fix python install for OpenSuse Factory
buildservice-autocommit
accepted
request 538873
from
Christoph Junghans (cjunghans)
(revision 38)
baserev update by copy to link target
Christoph Junghans (cjunghans)
committed
(revision 37)
Christoph Junghans (cjunghans)
accepted
request 538869
from
Christoph Junghans (cjunghans)
(revision 36)
- enable GPU support via OpenCL - 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. - adapt to new openlmi package - source mpivars.h during build - changes license to GPL-2.0 and GPL-3.0+ (#522368) - 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 - bump version to 20170811 - many little bugfxes: http://lammps.sandia.gov/bug.html - RPM group fix. - 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 - first package
buildservice-autocommit
accepted
request 536918
from
Christoph Junghans (cjunghans)
(revision 35)
baserev update by copy to link target
Christoph Junghans (cjunghans)
accepted
request 536917
from
Christoph Junghans (cjunghans)
(revision 34)
- 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.
Christoph Junghans (cjunghans)
committed
(revision 33)
Christoph Junghans (cjunghans)
committed
(revision 32)
buildservice-autocommit
accepted
request 523212
from
Christoph Junghans (cjunghans)
(revision 31)
baserev update by copy to link target
Christoph Junghans (cjunghans)
committed
(revision 30)
Christoph Junghans (cjunghans)
committed
(revision 29)
Christoph Junghans (cjunghans)
committed
(revision 28)
Christoph Junghans (cjunghans)
accepted
request 522349
from
Christoph Junghans (cjunghans)
(revision 27)
- bump version to 20170901 - drop 573.patch, 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
Dominique Leuenberger (dimstar_suse)
accepted
request 517053
from
Christoph Junghans (cjunghans)
(revision 26)
initialized devel package after accepting 517053
Christoph Junghans (cjunghans)
accepted
request 517051
from
Christoph Junghans (cjunghans)
(revision 25)
Christoph Junghans (cjunghans)
committed
(revision 24)
Displaying revisions 41 - 60 of 83