Skip to content

@akohlmey akohlmey released this Apr 30, 2019 · 1015 commits to master since this release

Changes since patch release 29 March 2019:

  • new fix style electron/stopping for modeling energy loss through interactions high speed atoms with electrons: PR #1399 (K. Avchaciov (Tartu U and U Helsinki) Risto Toijala (University of Helsinki) and others)
  • GNEB implementation, fix setforce/spin, and various updates and fixes for SPIN package: PR #1421 PR #1424 (Julien Tranchida, SNL)
  • various code maintenance and testing support changes: PR #1400, PR #1402, PR #1435 (Axel Kohlmeyer, Temple U)
    • refactoring of USER-INTEL support in CMake to make it work properly and also with other compilers
    • update of provided CMake presets removal of those trying to mimic the conventional build and instead provide a "minimal" and "most" choice
    • corrections/cleanups for MESSAGE package and support libs to cleanly support a second stub library when not building for MPI
    • improved support for building LAMMPS for windows with MinGW64 cross-compilers
    • removal of using in several header files
    • change to micelle examples for better reproducibility
    • updated .gitignore
    • cleanups for fewer compiler warnings
  • new examples, doc updates and bugfixes for GRANULAR package: PR #1420 (Dan S. Bolintineanu, SNL)
  • bugfix for compiling KIM with pre-installed KIM-API: PR #1397 (Ryan Elliot, UMN)
  • bugfixes for GPU package compiled with OpenCL and CMake: PR #1436, PR #1437 (Richard Berger, Temple U)
  • bugfixes for reax/c pair styles for using multiple instances with pair style hybrid: PR #1434 (Ryan Elliot, UMN)
  • bugfix for neighborlist access in selected cases in pair style kim: #1413 via #1409 (Ryan Elliot, UMN)
  • replace calls to MPI_Abort() in USER-REAXC (and derived classes in KOKKOS and USER-OMP) with calls to error->one() or error->all(), so they can be intercepted, when LAMMPS is compiled with exception handling support: PR #1367 (Michal Kanski, Jagiellonian U)
  • cleanups and corrections for compiling LAMMPS with -DLAMMPS_BIGBIG: PR #1406 (Axel Kohlmeyer, Temple U)
  • support for Plumed 2.5.1 and some bugfixes in Install.py script: PR #1409
  • address some 64-bit issues: PR #1405 #1406
  • add discussion of COMPASS to BioFF howto: PR #1412 via #1409 (Evangelos Voyiatzis)
  • a bunch of changes to make matching of styles more accurate via using utils::strmatch(): #1409

Backward compatibility notices:
No known backward compatibility issues.

Assets 2
You can’t perform that action at this time.