Commits · 65b87fa2781c5f7dd9a4599193c026d8b37825ae · 郑智淋 / lammps · GitLab

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Jun 13, 2019
- Updated SNAP in KOKKOS package so it compiles and runs · 65b87fa2
  Aidan P. Thompson authored Jun 13, 2019
  
  65b87fa2
- Not part of this pull request · c5c03230
  athomps authored Jun 12, 2019
  
  c5c03230
- Not part of this pull request · be5d3d6a
  athomps authored Jun 12, 2019
  
  be5d3d6a
- Not part of this pull request · f8e257d2
  athomps authored Jun 12, 2019
  
  f8e257d2
- Not part of this pull request · 3f523ea9
  athomps authored Jun 12, 2019
  
  3f523ea9
- Completed back-porting of Zombie SNAP improvements, particularly noteworthy is... · a9737002
  Aidan Thompson authored Jun 12, 2019
  a9737002
Jun 12, 2019
- Implemented lists instead of multidim arrays · 0559e155
  Aidan Thompson authored Jun 11, 2019
  
  0559e155
Jun 04, 2019
- Added compact arrays, removed unused openmp stuff · 960a975e
  Aidan Thompson authored Jun 03, 2019
  
  960a975e
May 17, 2019
- Added bispectrum compute · 803e0631
  Aidan Thompson authored May 16, 2019
  
  803e0631
- Added bispectrum compute · 51a6bfd5
  Aidan Thompson authored May 16, 2019
  
  51a6bfd5
- Added bispectrum compute · 5b71b3fc
  Aidan Thompson authored May 16, 2019
  
  5b71b3fc
May 16, 2019
- compute_bispectrum · 98d9c45a
  Aidan Thompson authored May 15, 2019
  
  98d9c45a
May 12, 2019
- Forgot to change pair style to nn/snap · a0cc6b5b
  Aidan Thompson authored May 11, 2019
  
  a0cc6b5b
- Added placeholder for neural network SNAP potential · f2d88147
  Aidan Thompson authored May 11, 2019
  
  f2d88147
- Added placeholder for neural network SNAP potential · e13c661f
  Aidan Thompson authored May 11, 2019
  
  e13c661f
- Moved compute_beta outside of main force loop · a1f421cd
  Aidan Thompson authored May 11, 2019
  
  a1f421cd
May 11, 2019
- Added compute_beta() · 6d84bd61
  Aidan Thompson authored May 10, 2019
  
  6d84bd61
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

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