Commits · a6c9a782a4fd5b39373f649d7287829e90f90d25 · 郑智淋 / lammps · GitLab

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Apr 07, 2019
- add manpage for msi2lmp · a6c9a782
  Axel Kohlmeyer authored Apr 06, 2019
  
  a6c9a782
- install msi2lmp force field files and set environment variable, so they can be found automatically · 3b43fc3e
  Axel Kohlmeyer authored Apr 06, 2019
  
  3b43fc3e
- Merge branch 'master' into collected-small-changes · 0d8d8dc0
  Axel Kohlmeyer authored Apr 06, 2019
  
  0d8d8dc0
- Merge pull request #1414 from oywg11/github-tutorial-update · ce1040a1
  Axel Kohlmeyer authored Apr 06, 2019
  ce1040a1
- trigger download by default if not found for LATTE package/library · b25657c6
  Axel Kohlmeyer authored Apr 06, 2019
  
  b25657c6
- add false positive · 494e76da
  Axel Kohlmeyer authored Apr 06, 2019
  
  494e76da
- silence some more compiler warnings · cb398bd0
  Axel Kohlmeyer authored Apr 06, 2019
  
  cb398bd0
- add download-default-if-not-found logic to voro++ library for VORONOI package · 72b69783
  Axel Kohlmeyer authored Apr 06, 2019
  
  72b69783
- silence some compiler warnings · 8c02ce73
  Axel Kohlmeyer authored Apr 06, 2019
  
  8c02ce73
- document the 'maxelt' define in pair style meam/c and how to change it · f98aed41
  Axel Kohlmeyer authored Apr 06, 2019
  
  f98aed41
- 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
- change error-all to error-one · e629733d
  oywg11 authored Apr 06, 2019
  
  e629733d
- 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
- correct the spelling · 6e6d3505
  oywg11 authored Apr 05, 2019
  
  6e6d3505
- correct the spelling · 4f459a59
  oywg11 authored Apr 05, 2019
  
  4f459a59
- 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
- fix a bug in ILP · 815ad4da
  oywg11 authored Apr 05, 2019
  
  815ad4da
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

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