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  18. Jul 20, 2018
    • Axel Kohlmeyer's avatar
      various minor OpenCL related fixes and improvements to the GPU package · de8176b4
      Axel Kohlmeyer authored
      - document previously undocumented OpenCL tune settings
      - implement OpenCL platform selection through prefixing the device type with the platform id separated by a colon
      - allow passing custom tune parameters though postfixing the device type with the 13 tuneable parameters separated by commas
      - remove an extra clear() that would delete device properties structs an cause LAMMPS to output garbage strings
      de8176b4
  19. Jul 18, 2018
    • Tim Mattox's avatar
      USER-DPD: propagate a minor performance bugfix throughout the DPDE code · f9c7fa97
      Tim Mattox authored
      The fix_shardlow_kokkos.cpp code had already factored out a redundant
      sqrt() calculation in the innermost loop of ssa_update_dpde().  This
      changeset propagates an equivilent optimization to:
        fix_shardlow.cpp
        pair_dpd_fdt_energy.cpp
        pair_dpd_fdt_energy_kokkos.cpp
      The alpha_ij variable was really just an [itype][jtype] lookup parameter,
      replacing a sqrt() and two multiplies per interacting particle pair
      by a cached memory read.  Even if there isn't much time savings, the
      code is now consistent across the various versions.
      f9c7fa97
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