Commits · 2b3c124e61d761ebcd6a87662cf19c1d644600a1 · multiscale / lammps · GitLab

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May 31, 2017
- add example input for compute cnp/atom · 2b3c124e
  Axel Kohlmeyer authored 7 years ago
  
  2b3c124e
- integrate compute cnp/atom contributed by Paulo Branicio (USC) · 85e917ae
  Axel Kohlmeyer authored 7 years ago
  
  85e917ae
May 30, 2017
- Merge pull request #506 from lammps/snap · 286d4f27
  sjplimp authored 7 years ago
  
  SNAP changes by Aidan
  286d4f27
- Merge pull request #494 from rbberger/small_updates · 952b18fc
  sjplimp authored 7 years ago
  
  Collection of minor updates
  952b18fc
- Merge pull request #499 from akohlmey/add-fix-compute-style-bugfix · 816fa934
  sjplimp authored 7 years ago
  
  Fix bug where fix/compute style names were not correctly set with suffixes
  816fa934
- Merge pull request #495 from akohlmey/doc-fixes · f4f975ed
  sjplimp authored 7 years ago
  
  Collected small updates and bugfixes
  f4f975ed
- Merge pull request #468 from andeplane/gcmc_fix_nlocal · cff4e4a8
  sjplimp authored 7 years ago
  
  Using correct value for atom->nlocal in translate/rotate in fix_gcmc.cpp
  cff4e4a8
- Merge pull request #460 from andeplane/gcmc_fix · 32db4660
  sjplimp authored 7 years ago
  
  Setting molecule COM to 0 after moving atoms
  32db4660
- SNAP changes by Aidan · 22fdb1fc
  Steve Plimpton authored 7 years ago
  
  22fdb1fc
- avoid hang in fix reax/c/species when multiple atoms have the exact same x-coordinate · 412cb8f0
  Axel Kohlmeyer authored 7 years ago
  
  412cb8f0
- no need for special whitespace handling in library interface · 092806ad
  Axel Kohlmeyer authored 7 years ago
  
  092806ad
- must not use strtok() in library function as it is not re-entrant and may be... · 4ae31473
  Axel Kohlmeyer authored 7 years ago
  
  must not use strtok() in library function as it is not re-entrant and may be used inside LAMMPS commands
  4ae31473
- triclinic member variable is referenced in destructor and thus must be initialized in constructor · 4b8d2e82
  Axel Kohlmeyer authored 7 years ago
  
  4b8d2e82
May 29, 2017
- displace_atom rotate needs to operate on unwrapped coordinates with image flags set to zero · d93938f7
  Axel Kohlmeyer authored 7 years ago
  
  d93938f7
May 27, 2017
- add missing neighbor list class definitions to USER-OMP · c0339120
  Axel Kohlmeyer authored 7 years ago
  
  c0339120
- fix bug in computing mixed EAM potentials introduced by TI modifications · 5a23d2d1
  Axel Kohlmeyer authored 7 years ago
  
  5a23d2d1
May 26, 2017
- Merge branch 'user-manifold-doc-fix' of https://github.com/Pakketeretet2/lammps into doc-fixes · de446ace
  Axel Kohlmeyer authored 7 years ago
  
  de446ace
- Fixed typo in dox. · 2055110e
  Stefan Paquay authored 7 years ago
  
  2055110e
- prevent segfault when defining pair_style comb3 without arguments · 5b1e582f
  Axel Kohlmeyer authored 7 years ago
  
  5b1e582f
May 25, 2017
- Merge branch 'doc-fixes' of github.com:akohlmey/lammps into doc-fixes · 53e7fee5
  Axel Kohlmeyer authored 7 years ago
  
  53e7fee5
- fix bug in fix shear/history reported by kevin hanley. see #500 · 5291f2ed
  Axel Kohlmeyer authored 7 years ago
  
  5291f2ed
- fix suffix style handling bug for adding fixes and computes · 99a68e48
  Axel Kohlmeyer authored 7 years ago
  
  99a68e48
May 24, 2017
- remove trailing whitespace · 88d4150d
  Axel Kohlmeyer authored 7 years ago
  
  88d4150d
- Merge branch 'pair_morse_soft-doc-fix' of https://github.com/Pakketeretet2/lammps into doc-fixes · ead05f81
  Axel Kohlmeyer authored 7 years ago
  
  ead05f81
- Cleaned up docs for pair_mores, a missing :pre ruined formatting. · 4f9e7cbd
  Stefan Paquay authored 7 years ago
  
  4f9e7cbd
May 22, 2017
- Remove unused code detected by coverity CID 177700 · bdfb7c69
  Richard Berger authored 7 years ago
  
  bdfb7c69
- Fixes coverity issue CID 179426 · 084626e6
  Richard Berger authored 7 years ago
  
  084626e6
- Fixes coverity issue CID 179439 · a7d790a8
  Richard Berger authored 7 years ago
  
  a7d790a8
- Fixes coverity issue CID 179440 · 8a630ff4
  Richard Berger authored 7 years ago
  
  8a630ff4
- Fixes coverity issue CID 179436 · 617ca4e0
  Richard Berger authored 7 years ago
  
  617ca4e0
- Merge remote-tracking branch 'upstream/master' into small_updates · 06a4f47a
  Richard Berger authored 7 years ago
  
  06a4f47a
- use '&&' and '||' instead of 'and' and 'or' operators for consistency · 4780d728
  Axel Kohlmeyer authored 7 years ago
  
  4780d728
May 21, 2017
- small documentation fixes to fix typos and formatting issues · 97d3c843
  Axel Kohlmeyer authored 7 years ago
  
  97d3c843
May 19, 2017
- patch 19May17 · 2225fce9
  Steve Plimpton authored 7 years ago
  
  2225fce9
- Force PDF documentation build to fail on first error · 9593e05c
  Richard Berger authored 7 years ago
  
  9593e05c
May 18, 2017
- Merge pull request #493 from akohlmey/doc-and-example-fixes · 941b7373
  sjplimp authored 7 years ago
  
  Doc and example fixes
  941b7373
- correct input examples affected by the Pair::settings() bugfix · 654e09e9
  Axel Kohlmeyer authored 7 years ago
  
  654e09e9
- a few formatting fixes for pair style python · 8751850e
  Axel Kohlmeyer authored 7 years ago
  
  8751850e
- Merge pull request #492 from lammps/pre-patch · 0f883489
  sjplimp authored 7 years ago
  
  update docs before patch release
  0f883489
- update docs before patch release · b28ecd44
  Steve Plimpton authored 7 years ago
  
  b28ecd44