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LAMMPS stable release 22 Aug 2018

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@rbberger rbberger released this 22 Aug 18:40

Notable new features in this release are:

  • 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, coupled to the usual MD motion of atoms. See details here.
  • New fix bond/react command to enable simulation of one or more complex heuristic reactions that rearrange molecular topology.
  • New USER-BOCS package
  • Fixes memory leaks caused when using the GPU package and OpenCL
  • 3 new registry dependent interlayer potentials
  • dump_modify refresh and delay and maxfiles options
  • new reset_ids command
  • set velocity option
  • Various other small updates and bugfixes