Commits · 836027dbd88a38c59b5fa505c1d89d513b0af6cf · multiscale / lammps

Apr 20, 2018
- Merge pull request #867 from stanmoore1/kk_tweaks · 836027db
  Steve Plimpton authored 6 years ago
  
  Tweaks to KOKKOS package
  836027db
- Merge pull request #872 from akohlmey/ave-correlate-long-bugfix · c5127eca
  Steve Plimpton authored 6 years ago
  
  Bugfix for fix ave/correlate/long
  c5127eca
Apr 18, 2018
- incorporate bugfix for fix ave/correlate/long from jorge ramirez · a087813d
  Axel Kohlmeyer authored 6 years ago
  
  a087813d
Apr 13, 2018
- Merge pull request #824 from jrgissing/write_data-noextra · 48e42a4e
  Steve Plimpton authored 6 years ago
  
  Write_data nofix option
  48e42a4e
- Merge pull request #870 from lammps/doc-tweak · 6027de53
  Steve Plimpton authored 6 years ago
  
  add info to compute heat/flux doc page and a small update to the developer's guide
  6027de53
- remove trailing whitespace · 398f3173
  Axel Kohlmeyer authored 6 years ago
  
  398f3173
- update example for API change in Fix::copy_arrays() · 798fcacd
  Axel Kohlmeyer authored 6 years ago
  
  798fcacd
- add info to compute heat/flux doc page · bc0fd549
  Steven J. Plimpton authored 6 years ago
  
  bc0fd549
- Merge pull request #868 from junghans/latte · 43002746
  Steve Plimpton authored 6 years ago
  
  cmake: update latte to v1.1.1
  43002746
- Merge pull request #865 from athomps/fix_gcmc_temperature · 7f9400ea
  Steve Plimpton authored 6 years ago
  
  Made ndof dynamic for temperature fixes and computes
  7f9400ea
- Merge pull request #863 from ellio167/kim-update · 1b965d4d
  Steve Plimpton authored 6 years ago
  
  KIM API interface update
  1b965d4d
Apr 11, 2018
- update lib/latte/Install.py to be consistent with CMake config · 8f1487fb
  Axel Kohlmeyer authored 6 years ago
  
  8f1487fb
- cmake: update latte to v1.1.1 · e2bc4d46
  Christoph Junghans authored 6 years ago
  
  e2bc4d46
Apr 10, 2018
- cmake: bump openkim to v1.9.4 · dee945c0
  Christoph Junghans authored 6 years ago
  
  dee945c0
- restore python3 compatibility · bc49ce61
  Axel Kohlmeyer authored 6 years ago
  
  bc49ce61
Apr 07, 2018
- cmake: add openkim build as external project · 72cd13aa
  Christoph Junghans authored 6 years ago
  
  72cd13aa
Apr 05, 2018
- Remove unused variables in pair_reaxc_kokkos · 49d524e4
  Stan Moore authored 6 years ago
  
  49d524e4
- Tweak whitespace in Makefile.kokkos_cuda_mpi · 3c6102a0
  Stan Moore authored 6 years ago
  
  3c6102a0
- Use reference to improve performance in pair_reaxc_kokkos · 4517c85c
  Stan Moore authored 6 years ago
  
  4517c85c
- Deallocate views of views in serial to prevent race condition in Kokkos profiling tools · aa4f0447
  Stan Moore authored 6 years ago
  
  aa4f0447
Apr 04, 2018
- purge deleted file in KIM package · 2d4e0fcf
  Axel Kohlmeyer authored 6 years ago
  
  2d4e0fcf
- update logfiles for gcmc example inputs · 4fa95de9
  Axel Kohlmeyer authored 6 years ago
  
  4fa95de9
- avoid warning about group all · 24e0ca53
  Axel Kohlmeyer authored 6 years ago
  
  24e0ca53
- print the warning about using group all with fix gcmc only from MPI rank 0 · e1a17d42
  Axel Kohlmeyer authored 6 years ago
  
  e1a17d42
- Merge pull request #866 from lammps/header-error-messages · 8e3ba36a
  Steve Plimpton authored 6 years ago
  
  add placeholders to include files for error messges
  8e3ba36a
- remove or reformulate references to USER-CUDA package, which no longer exists · 12bc8416
  Axel Kohlmeyer authored 6 years ago
  
  12bc8416
- add placeholders to include files for error messges · 5221ac2d
  Steven J. Plimpton authored 6 years ago
  
  5221ac2d
Apr 03, 2018
- Revert to previous code without plug-in interface · af8e258e
  Ryan S. Elliott authored 6 years ago
  
  af8e258e
- Made ndof dynamic for temperature fixes and computes · d1356c1d
  Aidan Thompson authored 6 years ago
  
  d1356c1d
Apr 02, 2018
- Create KIM_LAMMPS_PlugIn.h & related changes · 3f3bab4e
  Ryan S. Elliott authored 6 years ago
  
  3f3bab4e
- use correct installed kim lib when adding new models · f089d8d2
  Ryan S. Elliott authored 7 years ago
  
  f089d8d2
- Update pair_kim for v1.9.4 and versatile linking · 25d2f4b1
  Ryan S. Elliott authored 7 years ago
  
  Use dlopen instead of directly linking to kim-api library. This will allow for easier distribution of LAMMPS with support for KIM Models.
  25d2f4b1
Mar 30, 2018
- Merge branch 'master' of github.com:lammps/lammps · 0bfb6f0c
  Steven J. Plimpton authored 6 years ago
  
  0bfb6f0c
- patch 30Mar18 · 7786cb5a
  Steven J. Plimpton authored 6 years ago
  
  7786cb5a
- Merge pull request #860 from lammps/doctweak · e476f89b
  Steve Plimpton authored 6 years ago
  
  alphabetize correction in docs
  e476f89b
- alphabetize correction in docs · bfc07712
  Steven J. Plimpton authored 6 years ago
  
  bfc07712
- Merge pull request #857 from lammps/resetids · ee5ad9cb
  Steve Plimpton authored 6 years ago
  
  new reset_ids command and dump_modify delay option
  ee5ad9cb
- Merge branch 'master' into resetids · a19e8fb2
  Steve Plimpton authored 6 years ago
  
  a19e8fb2
- Merge pull request #855 from lammps/dumpinc · 81caeffb
  Steve Plimpton authored 6 years ago
  
  new dump_modify refresh and compute displace/atom refresh commands fo…
  81caeffb
- complete integration of reset_ids into the documentation build system · a4795df5
  Axel Kohlmeyer authored 6 years ago
  
  a4795df5