Commits · 7a4a56985986728dfbf736316b4973e1c613dc92 · 郑智淋 / lammps · GitLab

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Jun 22, 2017
- Merge pull request #540 from lammps/neighrespa · 7a4a5698
  sjplimp authored Jun 22, 2017
  7a4a5698
- Merge pull request #538 from akohlmey/collected-small-changes · 4fc3f4f7
  sjplimp authored Jun 22, 2017
  4fc3f4f7
- update examples for fix filter/corotate to comply with new CHARMM restrictions · b0ddabbc
  Axel Kohlmeyer authored Jun 22, 2017
  
  b0ddabbc
- document new restrictions to CHARMM compatible dihedral styles · de3157f7
  Axel Kohlmeyer authored Jun 21, 2017
  
  de3157f7
- may check for 1-4 scaling factors in CHARMM dihedral styles only when... · 0c6a7517
  Axel Kohlmeyer authored Jun 21, 2017
  0c6a7517
- enforce using 'special_bonds charmm' for dihedral styles charmm and charmmfsw · 612b44a8
  Axel Kohlmeyer authored Jun 21, 2017
  
  612b44a8
- enforce that CHARMM dihedral styles are run at the same r-RESPA level as pair · 684b7334
  Axel Kohlmeyer authored Jun 21, 2017
  
  684b7334
- fix issue with rRESPA inner/middle neighbor lists · 1fc2eb1e
  Steve Plimpton authored Jun 21, 2017
  
  1fc2eb1e
- Merge pull request #539 from lammps/neighsize · e69ef56f
  sjplimp authored Jun 21, 2017
  e69ef56f
- insure compute pair/property local will use a copy of granular neigh list · 7dc380b1
  Steve Plimpton authored Jun 21, 2017
  
  7dc380b1
Jun 21, 2017
- whitespace cleanup in docs · 1a77135e
  Axel Kohlmeyer authored Jun 21, 2017
  
  1a77135e
- update fix ti/spring docs to reflect it is part of USER-MISC · f45c7e1f
  Axel Kohlmeyer authored Jun 21, 2017
  
  f45c7e1f
- dead code removal · 0cfe8980
  Axel Kohlmeyer authored Jun 20, 2017
  
  0cfe8980
- correct indexing bug in pair style lj/long/tip4p/long · 2988508c
  Axel Kohlmeyer authored Jun 20, 2017
  
  2988508c
- remove dead code · 15c59615
  Axel Kohlmeyer authored Jun 20, 2017
  
  15c59615
- fix uninitialized variable bug spotted by coverity scan · e13c94ed
  Axel Kohlmeyer authored Jun 20, 2017
  
  e13c94ed
- remove local variables shadowing global ones in BondsOMP() · 812f1a8f
  Axel Kohlmeyer authored Jun 20, 2017
  
  812f1a8f
- make pre-processor defines for using libc's qsort() consistent · 218bc92c
  Axel Kohlmeyer authored Jun 20, 2017
  
  218bc92c
- add C++ format identifiers to .h files · ffa906de
  Axel Kohlmeyer authored Jun 20, 2017
  
  ffa906de
- make certain class member list is initialized to NULL before assigned to a neighbor list · cccf72a2
  Axel Kohlmeyer authored Jun 20, 2017
  
  cccf72a2
- patch 20Jun17 · 87c028ed
  Steve Plimpton authored Jun 20, 2017
  
  View commits for tag patch_20Jun2017 patch_20Jun2017
  87c028ed
Jun 20, 2017
- Merge pull request #537 from lammps/neb · 84b530cc
  sjplimp authored Jun 20, 2017
  84b530cc
- small formatting correction in fix neb docs · 50c91679
  Axel Kohlmeyer authored Jun 20, 2017
  
  50c91679
- minor changes to NEB doc pages and examples · d2610d9e
  Steve Plimpton authored Jun 20, 2017
  
  d2610d9e
- Merge pull request #536 from akohlmey/fix-nvcc-openmp-conflicts · 326a8a12
  sjplimp authored Jun 20, 2017
  326a8a12
- Merge pull request #533 from lammps/user-intel · b5300724
  sjplimp authored Jun 20, 2017
  b5300724
- Merge pull request #530 from akohlmey/no_static_sort_in_dump · e129f18e
  sjplimp authored Jun 20, 2017
  e129f18e
- cleanup from aidan for fix reax/c/species and its KOKKOS version · 8c54fcd1
  Axel Kohlmeyer authored Jun 19, 2017
  8c54fcd1
- augment fix shardlow check for ordering fixes to be KOKKOS compatible · f5047ac3
  Axel Kohlmeyer authored Jun 19, 2017
  
  f5047ac3
- protect all OpenMP pragmas with ifdefs and add special conditions for nvcc to... · 164cedf3
  Axel Kohlmeyer authored Jun 19, 2017
  164cedf3
- massive whitespace cleanup in USER-INTEL · 3c329d17
  Axel Kohlmeyer authored Jun 19, 2017
  3c329d17
- insert C++ file format indicator comments · b687d161
  Axel Kohlmeyer authored Jun 19, 2017
  
  b687d161
Jun 19, 2017
- add missing reference for lj/smooth/linear · 9d3e34e4
  Axel Kohlmeyer authored Jun 19, 2017
  
  9d3e34e4
- modified the documentation, first and last freeend can have different spring constants · 8988b692
  Emile Maras authored Jun 19, 2017
  
  8988b692
- corrected the initial free end · c97415ae
  Emile Maras authored Jun 19, 2017
  
  c97415ae
Jun 17, 2017
- remove ifdefs for selecting between plain and hybrid merge sort. use hybrid only. · 9b8de3ba
  Axel Kohlmeyer authored Jun 17, 2017
  
  9b8de3ba
- same PR, also has cosmetic changes to new fix neb options · cd88b314
  Steve Plimpton authored Jun 16, 2017
  
  cd88b314
- USER-INTEL upgrade from M Brown · 9b9f6d6f
  Steve Plimpton authored Jun 16, 2017
  
  9b9f6d6f
- restore old qsort() based code and add preprocessor directives to switch · c1b0b1b3
  Axel Kohlmeyer authored Jun 16, 2017
  c1b0b1b3
Jun 16, 2017
- Merge pull request #532 from akohlmey/restore-heuristics-in-fix-shardlow · bc024157
  sjplimp authored Jun 16, 2017
  bc024157

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