Commits · 9de1a2a08fab496961bc14fafbfc9d926eba67a1 · multiscale / lammps · GitLab

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Nov 08, 2016
- added input using born/coul/dsf/cs to examples/coreshell · 9de1a2a0
  arielzn authored 8 years ago
  
  9de1a2a0
- add FLERR argument to force->bounds() in born/coul/dsf · cdb5d47e
  arielzn authored 8 years ago
  
  cdb5d47e
- documentation added for born/coul/dsf and born/coul/dsf/cs styles · 25e7d074
  arielzn authored 8 years ago
  
  25e7d074
- pair style born/coul/dsf added with its coreshell version · 667f4dfe
  arielzn authored 8 years ago
  
  667f4dfe
Nov 04, 2016
- Merge pull request #252 from akohlmey/preinstalled-vs-scm · 77bbf03f
  sjplimp authored 8 years ago
  
  remove the misleading "(which it is by default)" from several doc files
  77bbf03f
- Merge pull request #249 from lammps/unstable · 7cff08ca
  sjplimp authored 8 years ago
  
  Incorporate merge commits from "unstable" into "master"
  7cff08ca
- Merge pull request #248 from akohlmey/collected-small-fixes · f0131393
  sjplimp authored 8 years ago
  
  collected small bugfixes and updates
  f0131393
- Merge pull request #247 from akohlmey/bounds-error-with-code-line · 32e0a583
  sjplimp authored 8 years ago
  
  Propagate error error locations for a few more utility functions
  32e0a583
- Merge pull request #246 from akohlmey/manybody-short-neighbor-list · 60908eea
  sjplimp authored 8 years ago
  
  Manybody short neighbor list
  60908eea
- Merge pull request #244 from ketankhare/patch-2 · 8214555b
  sjplimp authored 8 years ago
  
  Enable write_data for dihedral style fourier
  8214555b
- added examples/threebody, fix reaxc/speceies/kk · f48b71f4
  Steve Plimpton authored 8 years ago
  
  f48b71f4
- remove the misleading "(which it is by default)" from several doc files · 6cc4eb19
  Axel Kohlmeyer authored 8 years ago
  
  6cc4eb19
- add thorough checking for valid arguments to -partition or -p · 7d23a073
  Axel Kohlmeyer authored 8 years ago
  
  7d23a073
Nov 03, 2016
- add temporary force accumulation to local variables for vashishta styles · 02510ec3
  Axel Kohlmeyer authored 8 years ago
  
  02510ec3
- accumulate forces in temporary local variables for tersoff · 33140e50
  Axel Kohlmeyer authored 8 years ago
  
  33140e50
Nov 02, 2016
- use local variables for more efficient force accumulation · 639fb6f4
  Axel Kohlmeyer authored 8 years ago
  
  639fb6f4
- build short neighbor list for sw on based on ij parameters only · b1567717
  Axel Kohlmeyer authored 8 years ago
  
  b1567717
- avoid tiny memory leak, when the restart command is specified multiple times · 5d787f7f
  Axel Kohlmeyer authored 8 years ago
  
  5d787f7f
Nov 01, 2016
- avoid uninitialized data for using ewald/disp with lj only · c8f4b555
  Axel Kohlmeyer authored 8 years ago
  
  c8f4b555
- avoid memory leak in pppm/disp/omp · e13e4031
  Axel Kohlmeyer authored 8 years ago
  
  e13e4031
- avoid memory leaks when using kspace solvers for lennard-jones · 782a3280
  Axel Kohlmeyer authored 8 years ago
  
  782a3280
- do not access uninitialized data for ewald/disp and pppm/disp · e81ae21d
  Axel Kohlmeyer authored 8 years ago
  
  e81ae21d
- remove work repetitions for 'the' · 7fdd6e28
  Axel Kohlmeyer authored 8 years ago
  
  7fdd6e28
- remove word repetitions for 'a' · 2e0d304c
  Axel Kohlmeyer authored 8 years ago
  
  2e0d304c
Oct 28, 2016
- Merge branch 'master' into manybody-short-neighbor-list · c4b86a25
  Axel Kohlmeyer authored 8 years ago
  
  c4b86a25
- Merge branch 'master' into bounds-error-with-code-line · 218e121b
  Axel Kohlmeyer authored 8 years ago
  
  218e121b
- permission cleanup in tools folder · 93d393aa
  Axel Kohlmeyer authored 8 years ago
  
  93d393aa
- Merge branch 'master' into collected-small-fixes · 4216be49
  Axel Kohlmeyer authored 8 years ago
  
  4216be49
Oct 27, 2016
- Version 27 Oct 2016 · c3a1e721
  Axel Kohlmeyer authored 8 years ago
  
  c3a1e721
- new library functions · d9891abd
  Steve Plimpton authored 8 years ago
  
  d9891abd
Oct 26, 2016
- add error location propagation to atom->set_mass() and atom->check_mass() · f9a9e27f
  Axel Kohlmeyer authored 8 years ago
  
  f9a9e27f
- add error location propagation to force->bounds() and force->boundsbig() · 35753b8f
  Axel Kohlmeyer authored 8 years ago
  
  35753b8f
- region cylinder is compatible with open_faces[2], so do not disallow it. · f028a9a9
  Axel Kohlmeyer authored 8 years ago
  
  f028a9a9
- fix off-by-one bug in buffer re-allocator · ef9f7c81
  Axel Kohlmeyer authored 8 years ago
  
  ef9f7c81
- add USER-OMP variant of manybody short neighbor list · 8e61bed2
  Axel Kohlmeyer authored 8 years ago
  
  8e61bed2
- simplify short neighbor list implementation. remove unneeded class member · 3267b345
  Axel Kohlmeyer authored 8 years ago
  
  3267b345
- add short neighbor list support to pair style tersoff · 0a417b40
  Axel Kohlmeyer authored 8 years ago
  
  0a417b40
- consistent short neighbor list for vashishta and vashishta/table · 399c0af1
  Axel Kohlmeyer authored 8 years ago
  
  399c0af1
- fully tested multi-element compatible short neighbor list for Stillinger-Weber · e8b3f796
  Axel Kohlmeyer authored 8 years ago
  
  e8b3f796
Oct 25, 2016
- Clean whitespace · 7f3f5e8c
  ketankhare authored 8 years ago
  
  7f3f5e8c