Commits · a243be2dc9c25e7fc175d899b2f2d796e9cb7bd6 · 郑智淋 / lammps · GitLab

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Apr 22, 2019
- Added bare-bones yarray algorithm, 2x speedup · a243be2d
  Aidan Thompson authored Apr 21, 2019
  
  a243be2d
Apr 08, 2019
- Merge pull request #1416 from akohlmey/collected-small-changes · 89886032
  Axel Kohlmeyer authored Apr 08, 2019
  89886032
Apr 07, 2019
- write a full-fledged LAMMPS manpage. · cb559659
  Axel Kohlmeyer authored Apr 07, 2019
  
  cb559659
- minor tweaks · 5c5b57be
  Axel Kohlmeyer authored Apr 07, 2019
  
  5c5b57be
- set default to automatically download scafacos lib if not found · 8c4a497a
  Axel Kohlmeyer authored Apr 07, 2019
  
  8c4a497a
- fix spelling issue · e57c4c60
  Axel Kohlmeyer authored Apr 07, 2019
  
  e57c4c60
- document in README, that msi2lmp is now build alongside LAMMPS · 13cf357f
  Axel Kohlmeyer authored Apr 07, 2019
  
  13cf357f
- document clang/clang++ preset with settings for MPI and OpenMP · 6f7b3643
  Axel Kohlmeyer authored Apr 07, 2019
  
  6f7b3643
- more packages with default-to-download-if-lib-not-found · e57e4a73
  Axel Kohlmeyer authored Apr 07, 2019
  
  e57e4a73
- update version number and some reformatting of the LAMMPS manpage · b40c4d16
  Axel Kohlmeyer authored Apr 06, 2019
  
  b40c4d16
- make downloaded LATTE library use the same BLAS/LAPACK as LAMMPS · 1dd21e6e
  Axel Kohlmeyer authored Apr 06, 2019
  
  1dd21e6e
- 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

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