Commits · 6499cfcf52ae6d814afadc72f76daaff92f2e7d7 · multiscale / lammps

May 04, 2017
- Merge pull request #458 from stanmoore1/kokkos_sync_bugfix · 6499cfcf
  sjplimp authored 7 years ago
  
  Fixing auto_sync logic bug in modify_kokkos
  6499cfcf
- Merge pull request #457 from stanmoore1/kokkos_ubuf · f08e2069
  sjplimp authored 7 years ago
  
  Adding ubuf union to Kokkos atom_vec styles
  f08e2069
- Merge pull request #455 from stanmoore1/kokkos_update · fbddfe27
  sjplimp authored 7 years ago
  
  Updating Kokkos library to version 2.03.00
  fbddfe27
- Merge pull request #452 from akohlmey/small-fixes-and-updates · dcc5472c
  sjplimp authored 7 years ago
  
  Small fixes and updates
  dcc5472c
- new Section package and start doc pages and build scripts · addd87c0
  Steve Plimpton authored 7 years ago
  
  addd87c0
May 03, 2017
- print warning about minimization energy with fix box/relax · 7f49ee8f
  Axel Kohlmeyer authored 7 years ago
  
  7f49ee8f
- Merge pull request #464 from akohlmey/rename-cg-cmm-to-cgsdk · f5cf1f13
  sjplimp authored 7 years ago
  
  Rename USER-CG-CMM package to USER-CGSDK
  f5cf1f13
Apr 27, 2017
- rename files in GPU library from cg_cmm to lj_sdk · b8cb80b2
  Axel Kohlmeyer authored 7 years ago
  
  b8cb80b2
- change references from cg_cmm to lj_sdk and from cmm to sdk · cd435c0c
  Axel Kohlmeyer authored 7 years ago
  
  cd435c0c
- update the README for USER-CGSDK · 548c589f
  Axel Kohlmeyer authored 7 years ago
  
  548c589f
- rename USER-CG-CMM folder to USER-CGSDK · 5c7a6319
  Axel Kohlmeyer authored 7 years ago
  
  5c7a6319
- rename references to USER-CG-CMM to USER-CGSDK · af748745
  Axel Kohlmeyer authored 7 years ago
  
  af748745
- rename examples folder for USER-CGSDK package · 949d61e0
  Axel Kohlmeyer authored 7 years ago
  
  949d61e0
Apr 26, 2017
- remove cg/cmm style name aliases · 3e60f79f
  Axel Kohlmeyer authored 7 years ago
  
  3e60f79f
- correct units for some improper force constants in docs · 8f9cb359
  Axel Kohlmeyer authored 7 years ago
  
  8f9cb359
- Fixing auto_sync logic bug in modify_kokkos · 0565b1df
  Stan Moore authored 7 years ago
  
  0565b1df
- Adding ubuf union to Kokkos atom_vec styles · d73d70fa
  Stan Moore authored 7 years ago
  
  d73d70fa
Apr 25, 2017
- Merge branch 'master' into kokkos_update · cc6104ae
  Stan Moore authored 7 years ago
  
  cc6104ae
- Updating Kokkos lib to 2.03.00 · 8910ec6e
  Stan Moore authored 7 years ago
  
  8910ec6e
- detect and refuse to run pair style srp together with fix rigid · ddc1e4e8
  Axel Kohlmeyer authored 7 years ago
  
  ddc1e4e8
Apr 23, 2017
- turn errors from manybody potentials for */tally computes into warnings · 0ac22e03
  Axel Kohlmeyer authored 7 years ago
  
  0ac22e03
Apr 21, 2017
- avoid division by zero also for ewald/disp · 197ce458
  Axel Kohlmeyer authored 7 years ago
  
  197ce458
- avoid division by zero by initializing unset (=automatic) g_ewald parameters to some number > 0. · 8f145118
  Axel Kohlmeyer authored 7 years ago
  
  8f145118
- correct broken link in html bond doc overview · 396e0b54
  Axel Kohlmeyer authored 7 years ago
  
  396e0b54
- add support to pair_modify to selectively disable compute/tally callbacks in... · 4e411364
  Axel Kohlmeyer authored 7 years ago
  
  add support to pair_modify to selectively disable compute/tally callbacks in sub-styles for pair hybrid and hybrid/overlay
  4e411364
Apr 20, 2017
- add support for USER-TALLY to pair styles hybrid and hybrid/overlay · f0681f7e
  Axel Kohlmeyer authored 7 years ago
  
  f0681f7e
Apr 18, 2017
- update for fix gle docs from michele ceriotti · dfa98152
  Axel Kohlmeyer authored 7 years ago
  
  dfa98152
- whitespace cleanup in VMD plugin headers · 25e8ed63
  Axel Kohlmeyer authored 7 years ago
  
  25e8ed63
- update .gitignore and Purge.list for recent changes · 8d390100
  Axel Kohlmeyer authored 7 years ago
  
  8d390100
- update VMD molfile plugin headers and move them to lib/molfile (where they belong) · dee35361
  Axel Kohlmeyer authored 7 years ago
  
  dee35361
- Merge branch 'unstable' of https://github.com/ketankhare/lammps into small-fixes-and-updates · 73c210b6
  Axel Kohlmeyer authored 7 years ago
  
  73c210b6
Apr 17, 2017
- fix typos · 4bad52f3
  Axel Kohlmeyer authored 7 years ago
  
  4bad52f3
- correct 'thrid' instead of 'third' · 481927ff
  Axel Kohlmeyer authored 7 years ago
  
  481927ff
- fix typos and remove trailing whitespace · dec36e9b
  Axel Kohlmeyer authored 7 years ago
  
  dec36e9b
- refactor msi2lmp documentation to emphasize lack of active development · dd90c860
  Axel Kohlmeyer authored 7 years ago
  
  - put a note into the manual - reorder contents of the README file - request for information should be sent to lammps-users - add list of known missing features
  dd90c860
Apr 13, 2017
- patch 13Apr17 · 2f32fb7f
  Steve Plimpton authored 7 years ago
  
  2f32fb7f
Apr 12, 2017
- Merge pull request #450 from rbberger/python_destruction_fix · cb867ea9
  sjplimp authored 7 years ago
  
  Prevent segfault if Python was never initialized
  cb867ea9
- Prevent segfault if Python was never initialized · 961096f9
  Richard Berger authored 7 years ago
  
  961096f9
Apr 11, 2017
- patch 11Apr17 · 4da8c1c4
  Steve Plimpton authored 7 years ago
  
  4da8c1c4
- fix gcmc updates from Aidan, trimming of output for replica commands · 49dd9449
  Steve Plimpton authored 7 years ago
  
  49dd9449