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| Name: lammps-devel | Distribution: openSUSE Leap 15.2 |
| Version: 20180316 | Vendor: openSUSE |
| Release: lp152.3.10 | Build date: Sat May 16 19:29:34 2020 |
| Group: Development/Libraries/C and C++ | Build host: lamb17 |
| Size: 21269 | Source RPM: lammps-20180316-lp152.3.10.src.rpm |
| Packager: https://bugs.opensuse.org | |
| Url: http://lammps.sandia.gov | |
| Summary: Development headers and libraries for LAMMPS | |
LAMMPS is a classical molecular dynamics code, and an acronym for Large-scale Atomic/Molecular Massively Parallel Simulator. LAMMPS has potentials for soft materials (biomolecules, polymers) and solid-state materials (metals, semiconductors) and coarse-grained or mesoscopic systems. It can be used to model atoms or, more generically, as a parallel particle simulator at the atomic, meso, or continuum scale. LAMMPS runs on single processors or in parallel using message-passing techniques and a spatial-decomposition of the simulation domain. The code is designed to be easy to modify or extend with new functionality. This package contains development headers and libraries for LAMMPS.
GPL-2.0 and GPL-3.0+
* Wed Mar 28 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
* Thu Mar 08 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
* Mon Mar 05 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
* Sat Jan 27 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
* Fri Jan 19 2018 junghans@votca.org
- fix python install for openSUSE Factory
* Sat Nov 04 2017 junghans@votca.org
- enable GPU support via OpenCL
- added 30b482975a6a29db2265b44c4f27d6293eacb72f.patch
* Wed Oct 25 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.
* Wed Oct 25 2017 junghans@votca.org
- adapt to new openlmi package - source mpivars.h during build
* Mon Sep 11 2017 junghans@votca.org
- changes license to GPL-2.0 and GPL-3.0+ (#522368)
* Fri Sep 08 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
* Tue Aug 15 2017 junghans@votca.org
- bump version to 20170811
- many little bugfxes: http://lammps.sandia.gov/bug.html
* Mon Jul 24 2017 jengelh@inai.de
- RPM group fix.
* Fri Jul 21 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
/usr/include/lammps /usr/include/lammps/library.h /usr/lib64/liblammps.so /usr/lib64/pkgconfig/liblammps.pc /usr/share/doc/packages/lammps-devel /usr/share/doc/packages/lammps-devel/LICENSE
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Fabrice Bellet, Tue Jul 9 11:31:35 2024