Commits · a936b7b2ab27fe4f7091702e8e0d2b11ae450536 · multiscale / lammps · GitLab

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Mar 17, 2017
- Merge pull request #419 from rbberger/python_fixes · a936b7b2
  sjplimp authored 8 years ago
  
  Library interface fixes, Python example fixes and better Python 3 compatibility
  a936b7b2
- Merge pull request #416 from lukin17/filter_corotate · a91b851f
  sjplimp authored 8 years ago
  
  Added fix filter/corotate.
  a91b851f
Mar 16, 2017
- add fix filter/corotate to some administrative files · f604f86c
  Axel Kohlmeyer authored 8 years ago
  
  f604f86c
- simplify and shorten examples for fix filter/corotate and combine into a single folder · bed28833
  Axel Kohlmeyer authored 8 years ago
  
  bed28833
- fix some more code formatting issues, add newline at EOF · 1995f434
  Axel Kohlmeyer authored 8 years ago
  
  1995f434
- Merge branch 'filter_corotate' of https://github.com/lukin17/lammps into pull-416 · db0281b4
  Axel Kohlmeyer authored 8 years ago
  
  db0281b4
- Merge remote-tracking branch 'upstream/master' into filter_corotate · 2f5e711a
  lukin17 authored 8 years ago
  
  2f5e711a
- Fixed coding style. · bdb7669e
  lukin17 authored 8 years ago
  
  bdb7669e
- Added Python matplotlib plot example · cda82138
  Richard Berger authored 8 years ago
  
  cda82138
- Improve Python 3 compatibility of pizza tools and simplify read_snapshot code · ef940d22
  Richard Berger authored 8 years ago
  
  ef940d22
- Fix dump cfg in vizplotgui_atomeye.py example · 36da9223
  Richard Berger authored 8 years ago
  
  36da9223
- Fix space/tab error in pizza/gl.py · eb29ef32
  Richard Berger authored 8 years ago
  
  eb29ef32
- Fix dump cfg in viz_atomeye.py example · 29550d47
  Richard Berger authored 8 years ago
  
  29550d47
- Document property 'uses_exceptions' of Python interface · 79cae511
  Richard Berger authored 8 years ago
  
  79cae511
- Fixes lammps_create_atoms library function and its Python interface variant · a2108670
  Richard Berger authored 8 years ago
  
  The interface of that function has changed and includes two additional parameters, which haven't been added to the Python interface either. This showed up by trying to run the simple.py example.
  a2108670
- Fix Python 3 compatibility by encoding strings passed as c_char_p · 0262a54e
  Richard Berger authored 8 years ago
  
  0262a54e
Mar 15, 2017
- Merge branch 'filter_corotate' of https://github.com/lukin17/lammps into pull-416 · 0d8f74f0
  Axel Kohlmeyer authored 8 years ago
  
  0d8f74f0
- 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
- Added fix filter/corotate. · c3ce3747
  lukin17 authored 8 years ago
  
  c3ce3747
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