Commits · 86f4080b71bab8d70b382a893b113a22140c3105 · 郑智淋 / lammps · GitLab

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Apr 07, 2019
- some dead code removal in pair style kim. · 86f4080b
  Axel Kohlmeyer authored Apr 06, 2019
  
  86f4080b
- make default CMake setting for DOWNLOAD_KIM depend on whether the KIM API is found or not · 59a4d422
  Axel Kohlmeyer authored Apr 06, 2019
  
  59a4d422
- Merge branch 'find-kim-fix' of https://github.com/ellio167/lammps into collected-small-changes · e8289b00
  Axel Kohlmeyer authored Apr 06, 2019
  
  e8289b00
- guard against extracting too many elements from the MEAM library into the statically sized arrays · 3070a110
  Axel Kohlmeyer authored Apr 06, 2019
  3070a110
- Have FindKIM-API.cmake work in QUIET mode · 47b74379
  Ryan S. Elliott authored Apr 06, 2019
  
  47b74379
- Fixup FindKIM-API.cmake and clean up some v2 remnants · 6643a4ec
  Ryan S. Elliott authored Apr 06, 2019
  
  6643a4ec
Apr 06, 2019
- stop with error message when computing per-atom stress for reax/c/omp · cb27d03c
  Axel Kohlmeyer authored Apr 06, 2019
  
  cb27d03c
- revert ineffective changes · 8683e1eb
  Axel Kohlmeyer authored Apr 06, 2019
  
  8683e1eb
- roll back ineffective changes and add zeroing of allocated storage · d6a12f6c
  Axel Kohlmeyer authored Apr 06, 2019
  
  d6a12f6c
- sanitize file pointer access handling · efa8c8d5
  Axel Kohlmeyer authored Apr 06, 2019
  
  efa8c8d5
- disable fdotr for virial also for regular pair style reax/c · bcb6e1be
  Axel Kohlmeyer authored Apr 06, 2019
  
  bcb6e1be
- disallow using fdotr for computing virial contributions with reax/c/omp · bca7364b
  Axel Kohlmeyer authored Apr 06, 2019
  
  bca7364b
- clang can be installed supporting OpenMP without having omp.h installed: add check · 9334c72c
  Axel Kohlmeyer authored Apr 06, 2019
  
  9334c72c
- add code to build msi2lmp with CMake · f10534a7
  Axel Kohlmeyer authored Apr 05, 2019
  
  f10534a7
- avoid segfault when catching command line flag errors with EXCEPTIONS enabled · de0938da
  Axel Kohlmeyer authored Apr 05, 2019
  
  de0938da
- silence compiler warnings, remove dead code · 3d7a4fb9
  Axel Kohlmeyer authored Apr 05, 2019
  
  3d7a4fb9
- add preset to make it easier to use clang with OpenMP and MPI · d17553d8
  Axel Kohlmeyer authored Apr 05, 2019
  
  d17553d8
- silence compiler warnings · e56d69a2
  Axel Kohlmeyer authored Apr 05, 2019
  
  e56d69a2
- Merge pull request #1415 from stanmoore1/kk_nh · 67f8c836
  Axel Kohlmeyer authored Apr 05, 2019
  67f8c836
- Fix bug in fix_nh_kokkos · 542d8aaf
  Stan Moore authored Apr 05, 2019
  
  542d8aaf
- Merge pull request #1409 from akohlmey/collected-small-changes · ac7312ca
  Axel Kohlmeyer authored Apr 05, 2019
  ac7312ca
- Merge pull request #1399 from rtoijala/fix-elstop · ed905968
  Axel Kohlmeyer authored Apr 05, 2019
  ed905968
- Merge pull request #1404 from akohlmey/compute-local-bugfix · 7f040a36
  Axel Kohlmeyer authored Apr 05, 2019
  7f040a36
Apr 05, 2019
- Merge branch 'pair_kim_fix' of https://github.com/ellio167/lammps into collected-small-changes · 05993a79
  Axel Kohlmeyer authored Apr 05, 2019
  
  05993a79
- Fix pointer assignment in pair_kim · 175f3ee6
  Ryan S. Elliott authored Apr 05, 2019
  175f3ee6
- resolve toctree and paper anchor issues · 2e1da295
  Axel Kohlmeyer authored Apr 05, 2019
  
  2e1da295
- two more false positives · 2757e4e6
  Axel Kohlmeyer authored Apr 05, 2019
  
  2757e4e6
- reword and reformat text in Howto_bioFF.txt a little bit. add warnings about... · 85a0461a
  Axel Kohlmeyer authored Apr 05, 2019
  85a0461a
- Merge branch 'patch-1' of https://github.com/evoyiatzis/lammps into collected-small-changes · 20cbe1ed
  Axel Kohlmeyer authored Apr 05, 2019
  
  20cbe1ed
- Include info for COMPASS in the Howto section · 5d3801cb
  Evangelos Voyiatzis authored Apr 05, 2019
  
  5d3801cb
- the GCC folks did it again. :-( · 383e206c
  Axel Kohlmeyer authored Apr 05, 2019
  
  383e206c
- fix stupid typo · 8b2a8ad0
  Axel Kohlmeyer authored Apr 05, 2019
  
  8b2a8ad0
- stop with error or print a warning when the system or atom ids get to large for reax/c pair styles · 42e8a761
  Axel Kohlmeyer authored Apr 05, 2019
  
  42e8a761
- remove trailing whitespace · 4f026b9b
  Axel Kohlmeyer authored Apr 05, 2019
  
  4f026b9b
- Merge branch 'mc-bigbig-fix' of https://github.com/rtoijala/lammps into collected-small-changes · 76dfcc1d
  Axel Kohlmeyer authored Apr 05, 2019
  
  76dfcc1d
- Merge branch 'master' into collected-small-changes · 95433356
  Axel Kohlmeyer authored Apr 05, 2019
  
  95433356
- implement different -DLAMMPS_BIGBIG workaround without breaking format · f4159ff5
  Axel Kohlmeyer authored Apr 05, 2019
  
  f4159ff5
- fix bug reported in issue #1410 · e359e801
  Axel Kohlmeyer authored Apr 04, 2019
  
  e359e801
- more accurate matching of styles using utils::strmatch() · dbbf198e
  Axel Kohlmeyer authored Apr 04, 2019
  
  dbbf198e
- silence compiler warnings · df94e80b
  Axel Kohlmeyer authored Apr 04, 2019
  
  df94e80b

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