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@akohlmey akohlmey released this Sep 19, 2019 · 246 commits to master since this release

Changes since stable release 7 August 2019:

  • new pair style cosine/squared, (Eugen Rozic, UCL), PR #1626
  • new pair style local/density for a generalized density dependent potential, (Tanmoy Sanyal, UCSB), PR #1666
  • support for minimization with KOKKOS (min_style cg with quadratic line search only), (Stan Moore, SNL) PR #1650
  • support for dihedral style harmonic in KOKKOS, (Stan Moore, SNL) PR #1669
  • new compute hma for faster or higher precision computation of certain thermodynamic properties of solids, (A Schultz, A Purohit, D Kofke, U Buffalo), PR #1503
  • add support for setting fix external callbacks to the library interface with python interface included (Richard Berger, Temple U), PR #1641
  • add support for Morse potential to wall fixes (Eugen Rozic, UCL and Axel Kohlmeyer, Temple U), PR #1628, PR #1640
  • new tool to post process parallel tempering trajectories, (Tanmoy Sanyal, UCSB), PR #1660
  • small updates to the KIM package, (Ryan Elliot, UMN), PR #1625, PR #1632, PR #1638
  • more cmake tweaks, (Christoph Junghans, LANL, Richard Berger, Temple U), PR #1633, PR #1644, PR #1634
  • granular package bug fixes (Dan Bolinteanu, SNL), PR #1637
  • extend compute bond/local to provide access to force components, not just the total force, (Edward Smith, U of Brunel), PR #1667
  • bugfix and refactoring of handling of custom computed properties in compute pair/local for hybrid pair styles, (Axel Kohlmeyer, Temple U), PR #1662
  • extend compute orientorder/atom to optionally output third order invariants, (Aidan Thompson, SNL), PR #1648, PR #1677
  • new SNAP potential for W-Be systems, (Mary Alice Cusentino, SNL), PR #1686
  • add dump_modify units yes option to have an 'ITEM: UNITS' entry added at the beginning of LAMMPS native text mode dump files. (Axel Kohlmeyer, Temple U), PR #1672
  • small bugfix for fix bond/react and documentation updates, (Jake Gissinger, UC Boulder), PR #1645
  • more detailed error messages when using known fix, compute, or variable IDs in variable expressions, (Axel Kohlmeyer, Temple U) PR #1621
  • document example of using compute chunk/spread/atom for binning per-chunk computed data, (Steve Plimpton, SNL) PR #1642
  • updates and additions to machine specific makefiles for the conventional build system. PR #1654, PR #1661, PR #1653
  • tweaks to USER-INTEL code and Makefiles for improved performance and to work around issues with some Intel compilers, (Mike Brown, Intel Corp.) PR #1683
  • support direct GPU communication for HPE MPI in KOKKOS (Gabriele Jost, NASA Ames Lab, Stan Moore, SNL), PR #1668
  • include preprocessor test to detect non-C++11 compilers with support for define and CMake option to disable it. (Richard Berger, Axel Kohlmeyer, Temple U), PR #1684
  • small documentation updates. PR #1664, PR #1681

Backward compatibility notice:
We are phasing out support for C++ compilers that do not support the C++11 standard. For older compilers (e.g. GCC 4.8.x) some flag to enable C++11 support may be required (e.g. -std=c++11 or -std=gnu++11 in the case of GCC 4.8.x).

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