Commits · 82217001c80125e34d2e41bb0c38b0a3318530c4 · multiscale / lammps · GitLab

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May 07, 2018
- must use fabs() on doubles, not abs(), to avoid ambiguity · 82217001
  Axel Kohlmeyer authored 6 years ago
  
  82217001
- use correct namespace when instantiating IntelBuffers; · b2370b69
  Axel Kohlmeyer authored 6 years ago
  
  b2370b69
- Merge pull request #878 from jrgissing/group_extract · 74fbb84b
  Steve Plimpton authored 6 years ago
  
  Group extract
  74fbb84b
- Merge pull request #891 from akohlmey/collected-small-changes · ca96a7ab
  Steve Plimpton authored 6 years ago
  
  Collected small changes, fixes and updates
  ca96a7ab
- Merge pull request #889 from akohlmey/cplusplus-compliance · 8ec033e8
  Steve Plimpton authored 6 years ago
  
  Collected changes to restore C++ standard compliance
  8ec033e8
- Merge pull request #890 from jrgissing/bond_react_final_touches · a7c94186
  Steve Plimpton authored 6 years ago
  
  bond/react final touches
  a7c94186
- Merge pull request #887 from akohlmey/create-bonds-single-bugfix · bc0c405b
  Steve Plimpton authored 6 years ago
  
  Fix bug in create_bonds single/bond
  bc0c405b
- Merge pull request #879 from mdelyser/USER-BOCS · 1ea5b9ea
  Steve Plimpton authored 6 years ago
  
  USER-BOCS
  1ea5b9ea
- add ability to set multiplicity for dihedrals with fix restrain · d9d33ac7
  Axel Kohlmeyer authored 6 years ago
  
  this introduces an optional keyword, so backward compatibility is preserved. this closes #884
  d9d33ac7
- whitespace cleanup · d51745fd
  Axel Kohlmeyer authored 6 years ago
  
  d51745fd
- provide keyword/value option to compute ackland/atom for selecting legacy or... · c3588f08
  Axel Kohlmeyer authored 6 years ago
  
  provide keyword/value option to compute ackland/atom for selecting legacy or current variant of implementation
  c3588f08
- use american spelling of neighbor consistently in docs and code comments · ecfe5c83
  Axel Kohlmeyer authored 6 years ago
  
  ecfe5c83
- need to ignore pair style kim in src/ · 009666d9
  Axel Kohlmeyer authored 6 years ago
  
  009666d9
- add VTK config for recent fedora versions · 551ea969
  Axel Kohlmeyer authored 6 years ago
  
  551ea969
- significantly expand .github/CODEOWNERS file to automatically notify more... · d7339bbd
  Axel Kohlmeyer authored 6 years ago
  
  significantly expand .github/CODEOWNERS file to automatically notify more contributors of changes to files/packages they maintain
  d7339bbd
- update USER-INTEL Install.sh script and dependency handling · 934f8253
  Axel Kohlmeyer authored 6 years ago
  
  934f8253
- update .gitignore for lib/latte · f4fbdea0
  Axel Kohlmeyer authored 6 years ago
  
  f4fbdea0
- remove dead code and fix compilation for fix mscg · 14588f62
  Axel Kohlmeyer authored 6 years ago
  
  14588f62
May 06, 2018
- correct typo in fix bond/react docs · 5e49976b
  Axel Kohlmeyer authored 6 years ago
  
  5e49976b
- update example log files · 9d9d7cb9
  Axel Kohlmeyer authored 6 years ago
  
  9d9d7cb9
- cosmetic changes to avoid compiler warnings · 941d289a
  Axel Kohlmeyer authored 6 years ago
  
  941d289a
- fix1 · e1f9ee13
  jrgissing authored 6 years ago
  
  e1f9ee13
- fix bond/react final touches · 916ed717
  jrgissing authored 6 years ago
  
  916ed717
- some more cosmetic changes · 9d689182
  Axel Kohlmeyer authored 6 years ago
  
  9d689182
- replace variable length array with constant length through making maxLine constant · e14b61e4
  Axel Kohlmeyer authored 6 years ago
  
  e14b61e4
May 05, 2018
- Merge pull request #10 from lammps/master · 2d321a60
  Jacob Gissinger authored 6 years ago
  
  rebase
  2d321a60
- include USER-BOCS package in cmake · 2616dd91
  Axel Kohlmeyer authored 6 years ago
  
  2616dd91
- adapt isfinite() handling to upstream · f7c37a7a
  Axel Kohlmeyer authored 6 years ago
  
  f7c37a7a
- plug memory leaks in USER-BOCS · 095ca76b
  Axel Kohlmeyer authored 6 years ago
  
  095ca76b
- update USER-BOCS example to match LAMMPS style and include reference logs · f9f8e2bd
  Axel Kohlmeyer authored 6 years ago
  
  f9f8e2bd
- Merge branch 'master' into USER-BOCS · 735bceb4
  Axel Kohlmeyer authored 6 years ago
  
  735bceb4
- changes to integrate USER-BOCS into LAMMPS and to closer follow the LAMMPS... · 81293b0f
  Axel Kohlmeyer authored 6 years ago
  
  changes to integrate USER-BOCS into LAMMPS and to closer follow the LAMMPS programming/documentation style
  81293b0f
- update colvars dependencies · 88dca11b
  Axel Kohlmeyer authored 6 years ago
  
  88dca11b
- add return value to non-void function · 460e8bd2
  Axel Kohlmeyer authored 6 years ago
  
  460e8bd2
- add missing USER-MOFFF to Makefile and fix typo · ce86ff6c
  Axel Kohlmeyer authored 6 years ago
  
  ce86ff6c
- be more verbose in USER-PHONON install script when KSPACE is not installed · 36126ccb
  Axel Kohlmeyer authored 6 years ago
  
  36126ccb
- more cosmetic changes to silence pedantic warnings · b7210e93
  Axel Kohlmeyer authored 6 years ago
  
  b7210e93
- address a few cosmetic issues flagged by -Wpedantic · 53342a5c
  Axel Kohlmeyer authored 6 years ago
  
  53342a5c
- avoiding variable length array in pair style comb3 by declaring MAXLIB const · d53dc541
  Axel Kohlmeyer authored 6 years ago
  
  d53dc541
- replace variable length array in fix drude/transform with new/delete · 974ea342
  Axel Kohlmeyer authored 6 years ago
  
  974ea342