Commits · 69a8e19dc5ebdca3f6d65a7f16f758f874e28c74 · multiscale / lammps

Feb 15, 2017
- Add files from Ray Shan for Kokkos version of class2 angle, bond, etc. · 69a8e19d
  Stan Moore authored 8 years ago
  
  69a8e19d
Feb 13, 2017
- 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  simplify FFT3d code by removing support for outdated FFT libraries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
- silence compiler warning about dead code · bcb1d94b
  Axel Kohlmeyer authored 8 years ago
  
  bcb1d94b
- correct issue with compiling for -DLAMMPS_BIGBIG in fix qeq/reax/kk · fbe30b56
  Axel Kohlmeyer authored 8 years ago
  
  fbe30b56
- Merge branch 'kokkos_lammps_bigbig_fix' of https://github.com/rbberger/lammps into tagint-issue · 9ef55fed
  Axel Kohlmeyer authored 8 years ago
  
  9ef55fed
Jan 30, 2017
- Merge pull request #364 from stanmoore1/kk_triclinic_neighlist · 997142a4
  sjplimp authored 8 years ago
  
  Add triclinic neighbor list support to Kokkos
  997142a4
- Merge pull request #363 from ibaned/obey-datamask · 033b07fd
  sjplimp authored 8 years ago
  
  Fix GPU sync bugs
  033b07fd
Jan 28, 2017
- Fix data type of molecule array in npair_kokkos.h · 51a0b6b4
  Richard Berger authored 8 years ago
  
  This showed up when trying to compile with -DLAMMPS_BIGBIG. Fixes issue #365
  51a0b6b4
Jan 27, 2017
- Whitespace change to npair_kokkos · 59f4a77d
  Stan Moore authored 8 years ago
  
  59f4a77d
- More tweaks to npair_kokkos for triclinic · 579cc6d7
  Stan Moore authored 8 years ago
  
  579cc6d7
- Adding support to npair_kokkos for triclinic-newton-on neighborlists · 5afd3e99
  Stan Moore authored 8 years ago
  
  5afd3e99