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lammps-devel-20180316-lp150.1.2 RPM for aarch64

From OpenSuSE Ports Leap 15.0 for aarch64

Name: lammps-devel Distribution: openSUSE Leap 15.0
Version: 20180316 Vendor: openSUSE
Release: lp150.1.2 Build date: Fri May 11 03:23:45 2018
Group: Development/Libraries/C and C++ Build host: obs-arm-3
Size: 21269 Source RPM: lammps-20180316-lp150.1.2.src.rpm
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
  - 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



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