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@akohlmey akohlmey released this Jun 19, 2019 · 618 commits to master since this release

Changes since patch release 5 June 2019:

  • using PLUMED to compute committor with LAMMPS, PR #1516, Gareth Tribello, Queen's U Belfast)
  • correctly support hybrid pair styles with computes from the USER-TALLY package, PR #1513 (Axel Kohlmeyer)
  • flag computes in USER-TALLY package as not compatible with dynamic groups, PR #1518 (Axel Kohlmeyer)
  • performance and reduced memory consumption improvements for pair style snap and related tools, PR #1507 (Aidan Thompson, SNL)
  • added logfreq3() function for another variant of generating logarithmic spaced output, PR #1476 (Vishnu V. Krishnan, Tata Institute of Fundamental Research)
  • add support for building neighbor lists on the GPU with hybrid pair styles containing some '/gpu' styles, PR #1430 (Trung Nguyen, Northwestern U)
  • add PPPM and Ewald solvers for electric dipoles and spins, PR #1469 (Stan Moore & Julien Tranchida, SNL)
  • use memmove() instead of memcpy() in some cases where both pointers may be overlapping or identical, PR #1485 (Adrian Diaz, UFL)
  • update syntax file and installation instructions for vim, PR #1501 (Vishnu V. Krishnan, Tata Institute of Fundamental Research)
  • refactoring of CMake configuration to reduce the size of the master CMakeLists.txt file, PR #1502 (Richard Berger, Temple U)
  • optimizations for qeq/reax with KOKKOS on CUDA, PR #1496 (Kamesh Arumugam, NVIDIA)
  • add full support for use in hybrid pair styles to pair style extep, PR #1494 (Michał Kański, Jagiellonian U)
  • improve warning messages for fix bond/react, PR #1517, (Jake Gissinger, Colorado U, Bolder)
  • optimizations of KOKKOS styles for small systems, PR #1422 (Stan Moore, SNL)
  • turn off optimization for functions that build "style factories", also turns of variable tracking for GCC 4.4 and later, PR #1492 (Axel Kohlmeyer)
  • teach cmake to check for immintrin.h, which is required for USER-INTEL (and thus makes it x86-only), PR #1497 (Christoph Junghans LANL)
  • advance message about taking some time to gather package information, so that it does get printed before any time consuming i/o happens, PR #1492 (Axel Kohlmeyer)
  • bugfix in variable expansion where new/delete was mixed with malloc()/free(), PR #1504 (Axel Kohlmeyer)
  • update to info variable command to support "internal" style variables, PR #1504 (Axel Kohlmeyer)
  • small MPI bugfix in bond style table, PR #1506 (Sam Niblett, LBNL)
  • sanitize settings for Kspace meshes consistently, PR #1492 (Axel Kohlmeyer)
  • documentation typesetting improvements, PR #1492 (Axel Kohlmeyer)
  • improve support for Ninja build tool, PR #1518 (Axel Kohlmeyer)
  • workaround for ICE with GCC 4.8, PR #1518 (Stan Moore)

Backward compatibility notice:
-SNAP param files that contain the diagonalstyle keyword will generate an error. Solution is to remove the diagonalstyle keyword.

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