Commits · ac82d041cc44ddb01279dc6dcb2d5ca07d37fbf9 · multiscale / lammps

Mar 17, 2017
- ignore package pair style · ac82d041
  Axel Kohlmeyer authored 8 years ago
  
  ac82d041
Mar 16, 2017
- improve memory usage reporting in info and output class · 070ce33a
  Axel Kohlmeyer authored 8 years ago
  
  070ce33a
Mar 15, 2017
- Merge pull request #413 from ohenrich/user-cgdna · 3a2da51a
  sjplimp authored 8 years ago
  
  User cgdna
  3a2da51a
- Merge pull request #415 from stanmoore1/kk_qeq · b1c59126
  sjplimp authored 8 years ago
  
  Add neigh/qeq option to Kokkos package
  b1c59126
- Merge pull request #414 from sstrong99/flow-gauss-doc-addition · 4c778385
  sjplimp authored 8 years ago
  
  flow/gauss documentation update
  4c778385
- Merge pull request #412 from timattox/master_typofix · f9468f46
  sjplimp authored 8 years ago
  
  Correct a typo in the fix_halt.txt documentation.
  f9468f46
Mar 14, 2017
- Tweaking docs for Kokkos package · fdc390ad
  Stan Moore authored 8 years ago
  
  fdc390ad
- Add neigh/qeq option to Kokkos · 580f6b56
  Stan Moore authored 8 years ago
  
  580f6b56
- updated the NEMD discussion in the how-to documentation about flow/gauss · 27b1c33a
  Steven Strong authored 8 years ago
  
  27b1c33a
- Minor updates in documentation and setup tool, merge before upgrade to oxDNA2 · 7a75cd11
  Oliver Henrich authored 8 years ago
  
  7a75cd11
- Updated documentation and simple setup tool · 23b82879
  Oliver Henrich authored 8 years ago
  
  23b82879
Mar 11, 2017
- Correct a typo in the fix_halt.txt documentation. · 4cfe623b
  Tim Mattox authored 8 years ago
  
  4cfe623b
Mar 10, 2017
- change to RCB cuts in load-balancing commands, also a new option for fix halt · f871ecdc
  Steve Plimpton authored 8 years ago
  
  f871ecdc
- Merge pull request #408 from giacomofiorin/colvars-update-2017-03-10 · 470353e3
  sjplimp authored 8 years ago
  
  Colvars update 2017-03-10
  470353e3
- Merge pull request #406 from stanmoore1/kokkos_bugfix · ffe02d20
  sjplimp authored 8 years ago
  
  Fix Kokkos issues
  ffe02d20
- Include PDF of Colvars doc missing in previous commit · f70752c1
  Giacomo Fiorin authored 8 years ago
  
  f70752c1
- Merge pull request #405 from stanmoore1/ev_setup_kk · 07fcfd6d
  sjplimp authored 8 years ago
  
  Add alloc flag to ev_setup
  07fcfd6d
- Merge pull request #407 from frobnitzem/master · c97feafc
  sjplimp authored 8 years ago
  
  Add error check to lammps_gather_atoms/lammps_scatter_atoms in library.cpp
  c97feafc
- Merge pull request #402 from timattox/USER-DPD_spelling · b20d95d4
  sjplimp authored 8 years ago
  
  Fix spelling "correction" from 3a054d1a: iterations not interactions and imd_writen not imd_written
  b20d95d4
- Backport typo fixes that were not previously pushed to the Colvars repository · 0b4adaa9
  Giacomo Fiorin authored 8 years ago
  
  0b4adaa9
- Update Colvars module to version 2017-03-10 · 5fe62066
  Giacomo Fiorin authored 8 years ago
  
  5fe62066
Mar 09, 2017
- Add error check to lammps_gather_atoms/lammps_scatter_atoms in library.cpp · 65964f3b
  David M. Rogers authored 8 years ago
  
  65964f3b
- Fix half from full nlist issue with Kokkos · b28b84d4
  Stan Moore authored 8 years ago
  
  b28b84d4
- Fixing memory overflow issue in comm_kokkos · a001a5ce
  Stan Moore authored 8 years ago
  
  a001a5ce
Mar 08, 2017
- restore incorrect change due to spell checking in fix imd · 2ef713ea
  Axel Kohlmeyer authored 8 years ago
  
  2ef713ea
- Disable allocation of per-atom arrays in ev_setup for Kokkos styles · 1f6c1942
  Stan Moore authored 8 years ago
  
  1f6c1942
- Adding alloc flag to ev_setup · 683023d8
  Stan Moore authored 8 years ago
  
  683023d8
Mar 07, 2017
- Fix spelling "correction" from 3a054d1a : iterations not interactions. :-) · 42d3a8f4
  Tim Mattox authored 8 years ago
  
  42d3a8f4
- patch 7Mar17 · 79b005dc
  Steve Plimpton authored 8 years ago
  
  79b005dc
- Merge pull request #393 from akohlmey/small-bugfixes · a2fa6ef4
  sjplimp authored 8 years ago
  
  Small bugfixes
  a2fa6ef4
- Merge pull request #399 from rbberger/docs_spelling_fixes · 920641bb
  sjplimp authored 8 years ago
  
  Correct spelling errors in documentation
  920641bb
- Merge pull request #398 from stanmoore1/kokkos_changes · c2aabdec
  sjplimp authored 8 years ago
  
  Kokkos changes
  c2aabdec
- Merge pull request #395 from timattox/USER-DPD_bugfix · e4aa735a
  sjplimp authored 8 years ago
  
  USER-DPD: a variety of small but important bugfixes
  e4aa735a
- Merge pull request #394 from jaapkroe/kolmogorov-crespi · 4af65575
  sjplimp authored 8 years ago
  
  Added Kolmogorov-Crespi potential
  4af65575
- Merge pull request #389 from akohlmey/update-agni-potential · 0798885b
  sjplimp authored 8 years ago
  
  update AGNI potential for Al, reference runs and output and citation
  0798885b
- Merge pull request #386 from akohlmey/doc-consistentcy · 020e75e7
  sjplimp authored 8 years ago
  
  improve consistency of manual
  020e75e7
- Merge pull request #376 from v0i0/airebo-bondorderLJ-fixes · d6866f1c
  sjplimp authored 8 years ago
  
  Fixes for PairAIREBO::bondorderLJ
  d6866f1c
- new neigh_modify exclude option, other SNAP changes · efaa4c67
  Steve Plimpton authored 8 years ago
  
  efaa4c67
- Fix more typos in tools · 08baaa9d
  Richard Berger authored 8 years ago
  
  08baaa9d
- Fix typo in python README · 359af419
  Richard Berger authored 8 years ago
  
  359af419