Commits · d001a093455b61f1a507e39178beb160fd1f3122 · multiscale / lammps

Feb 21, 2017
- Merge pull request #379 from ndtrung81/pppm-gpu-compute-group-group · d001a093
  sjplimp authored 8 years ago
  
  Fixed bugs with pppm/gpu when used with compute group/group
  d001a093
- Merge pull request #378 from timattox/USER-DPD_ssa_update · cb9d42da
  sjplimp authored 8 years ago
  
  USER-DPD: performance optimizations to ssa_update() in fix_shardlow
  cb9d42da
- Merge pull request #377 from stanmoore1/kokkos_update · 7185ec92
  sjplimp authored 8 years ago
  
  Kokkos library update
  7185ec92
- new SNAP potential for W · 1cd4c48c
  Steve Plimpton authored 8 years ago
  
  1cd4c48c
Feb 14, 2017
- Fixed bugs with pppm/gpu when used with compute group/group · 20806dd8
  Trung Nguyen authored 8 years ago
  
  20806dd8
Feb 13, 2017
- Add missing flags to Kokkos Makefile · 90e5ae96
  Stan Moore authored 8 years ago
  
  90e5ae96
- USER-DPD: performance optimizations to ssa_update() in fix_shardlow · 15008c9d
  Tim Mattox authored 8 years ago
  
  Overall improvements range from 2% to 18% on our benchmarks 1) Newton has to be turned on for SSA, so remove those conditionals 2) Rework the math in ssa_update() to eliminate many ops and temporaries 3) Split ssa_update() into two versions, based on DPD vs. DPDE 4) Reorder code in ssa_update_*() to reduce register pressure
  15008c9d
- Remove merge line · 33af7ab2
  Stan Moore authored 8 years ago
  
  33af7ab2
- Removing unused files in Kokkos lib · 8f9b2aca
  Stan Moore authored 8 years ago
  
  8f9b2aca
- Updating Kokkos lib · 383da816
  Stan Moore authored 8 years ago
  
  383da816
- sync 13Feb17 patch back to GH · cb982f2f
  Steve Plimpton authored 8 years ago
  
  cb982f2f
- Merge pull request #372 from akohlmey/fft-cleanup · 4843296d
  sjplimp authored 8 years ago
  
  simplify FFT3d code by removing support for outdated FFT libraries
  4843296d
- patch 12Feb17 - change int to tagint for compute group/group · 2bdda8f6
  Steve Plimpton authored 8 years ago
  
  2bdda8f6
Feb 10, 2017
- added molecule option to compute group/group command · 0068ef56
  Steve Plimpton authored 8 years ago
  
  0068ef56
- Merge pull request #375 from akohlmey/small-updates-and-fixes · 02b0e6cc
  sjplimp authored 8 years ago
  
  Small updates and fixes
  02b0e6cc
- Merge pull request #374 from agiliopadua/master · fbb24c24
  sjplimp authored 8 years ago
  
  Updated polarizer.py in USER-DRUDE to use coul/long/cs
  fbb24c24
Feb 08, 2017
- fix typo · a5f830c4
  Axel Kohlmeyer authored 8 years ago
  
  (cherry picked from commit 6410797697ddffbd5b47f526dcabd74f67ff6108)
  a5f830c4
- Merge branch 'master' into small-updates-and-fixes · 8c074a36
  Axel Kohlmeyer authored 8 years ago
  
  8c074a36
Feb 04, 2017
- Updated polarizer.py to use coul/long/cs · 27aca140
  Agilio Padua authored 8 years ago
  
  27aca140
Feb 03, 2017
- Merge branch 'master' into fft-cleanup · 191453e1
  Axel Kohlmeyer authored 8 years ago
  
  191453e1
- Merge pull request #373 from stanmoore1/kk_more_bugfixes · 207adc39
  sjplimp authored 8 years ago
  
  Fixing Kokkos per-atom energy/virial issues
  207adc39
- Merge pull request #368 from Pakketeretet2/kokkos_morse · 84c51715
  sjplimp authored 8 years ago
  
  Kokkos morse
  84c51715
- Merge pull request #366 from rbberger/kokkos_lammps_bigbig_fix · 6ca37743
  sjplimp authored 8 years ago
  
  Fix data type of molecule array in npair_kokkos.h
  6ca37743
- Merge pull request #362 from ibaned/warnings2 · dc34a326
  sjplimp authored 8 years ago
  
  fix Kokkos+kspace warnings
  dc34a326
Feb 02, 2017
- Adding missing friend statement to pair_lj_class2_coul_cut_kokkos · 067119f6
  Stan Moore authored 8 years ago
  
  067119f6
- Fixing more Kokkos per-atom and fdotr issues · 1834a5e4
  Stan Moore authored 8 years ago
  
  1834a5e4
- Fixing typo in pair_buck_coul_cut_kokkos · 6a4918b3
  Stan Moore authored 8 years ago
  
  6a4918b3
- Fixing fdotr in pair_buck_coul_cut_kokkos · 5da0d393
  Stan Moore authored 8 years ago
  
  5da0d393
- Fixing per-atom ev issue · 6f924296
  Stan Moore authored 8 years ago
  
  6f924296
- Add missing typedef in Kokkos pair styles · 38e0e4bb
  Stan Moore authored 8 years ago
  
  38e0e4bb
- Fixing Kokkos per-atom e/v issue · daf9f953
  Stan Moore authored 8 years ago
  
  daf9f953
- explain in more detail the handling of error checking for numerical inputs · 6595fde0
  Axel Kohlmeyer authored 8 years ago
  
  6595fde0
- Merge pull request #2 from stanmoore1/kk_tag_bugfixes · 6bcec9c6
  Richard Berger authored 8 years ago
  
  Fixing tagint and imageint issues in Kokkos package
  6bcec9c6
- remove support for obsolete legacy FFT libraries and point -DFFT_FFTW to FFTW3 · 9d1991bf
  Axel Kohlmeyer authored 8 years ago
  
  9d1991bf
- Updated contributing authors and docs · 0a87b744
  Stefan Paquay authored 8 years ago
  
  0a87b744
Feb 01, 2017
- Fixing tagint and imageint issues in Kokkos package · 7ee45ec5
  Stan Moore authored 8 years ago
  
  7ee45ec5
- Ported Morse to KOKKOS · d4c9e250
  Stefan Paquay authored 8 years ago
  
  d4c9e250
- Removed traces of pair morse/kk · 6232073d
  Stefan Paquay authored 8 years ago
  
  6232073d
- Removed traces of pair morse/kk · ed59193d
  Stefan Paquay authored 8 years ago
  
  ed59193d
Jan 31, 2017
- Merge pull request #1 from akohlmey/tagint-issue · 67bed8e8
  Richard Berger authored 8 years ago
  
  Fix additional tagint issue in fix qeq/reax/kk
  67bed8e8