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File lammps.changes of Package lammps (Revision 4681b99799a12eeb5256c43723bbb990)

Currently displaying revision 4681b99799a12eeb5256c43723bbb990 , Show latest

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Fri Jul 21 14:47:34 UTC 2017 - junghans@votca.org

- bump version of 20170706 and move to cmake
- 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

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File lammps.changes of Package lammps (Revision 4681b99799a12eeb5256c43723bbb990)

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