Commits · 5b4275002cbdd880fb092bb3c458a43af3ab37bd · 郑智淋 / lammps · GitLab

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Jul 21, 2020
- Merge branch 'master' into kim_fix · 5b427500
  Axel Kohlmeyer authored Jul 20, 2020
  
  5b427500
- Merge pull request #2241 from yafshar/cmake · 39cefc4e
  Axel Kohlmeyer authored Jul 20, 2020
  39cefc4e
Jul 20, 2020
- Merge pull request #2239 from akohlmey/collected-small-changes · 6d70c393
  Axel Kohlmeyer authored Jul 20, 2020
  6d70c393
- update the kim_param command test · 1f819ca3
  Yaser Afshar authored Jul 19, 2020
  
  1f819ca3
- starting of the kim_property command test · 3390e1d4
  Yaser Afshar authored Jul 19, 2020
  
  3390e1d4
- cosmetic changes · 02ff2068
  Axel Kohlmeyer authored Jul 19, 2020
  
  02ff2068
- refactor fix tune/kspace · 78cfd3ff
  Axel Kohlmeyer authored Jul 19, 2020
  78cfd3ff
- for ewald we also have evflag_atom that needs to be initialized · b162cefc
  Axel Kohlmeyer authored Jul 19, 2020
  
  b162cefc
- need to setup bins again if binning style has be reset · 0008c0ec
  Axel Kohlmeyer authored Jul 19, 2020
  
  0008c0ec
Jul 19, 2020
- update the kim_param command test · 674514f8
  Yaser Afshar authored Jul 19, 2020
  
  674514f8
- Update the KIM error messages · 419404a9
  Yaser Afshar authored Jul 19, 2020
  
  419404a9
- Update the KIM error messages · c215278a
  Yaser Afshar authored Jul 19, 2020
  
  c215278a
- Update the KIM error messages · c73f8a55
  Yaser Afshar authored Jul 19, 2020
  
  c73f8a55
- Update the KIM error messages · c844de03
  Yaser Afshar authored Jul 19, 2020
  
  c844de03
- Update the KIM error messages · 5fec11a0
  Yaser Afshar authored Jul 19, 2020
  
  5fec11a0
- silence compiler warning · 262ce37e
  Axel Kohlmeyer authored Jul 19, 2020
  
  262ce37e
- Merge branch 'kim_fix' of github.com:yafshar/lammps into kim_fix · 0246feb1
  Yaser Afshar authored Jul 18, 2020
  
  0246feb1
- simplify building aligned mutable parameter trable using fmtlib · bba7e355
  Axel Kohlmeyer authored Jul 18, 2020
  
  bba7e355
- update the kim_interactions command test · 82f5bbf8
  Yaser Afshar authored Jul 18, 2020
  
  82f5bbf8
- update test · 894a7e4b
  Axel Kohlmeyer authored Jul 18, 2020
  
  894a7e4b
- Update the error messages · c1a650d5
  Yaser Afshar authored Jul 18, 2020
  c1a650d5
- clean up the code · 610fea20
  Yaser Afshar authored Jul 18, 2020
  
  610fea20
- update output formatting of info command · 40a05300
  Axel Kohlmeyer authored Jul 18, 2020
  
  40a05300
- update the kim_init command test · bc47ec50
  Yaser Afshar authored Jul 18, 2020
  
  bc47ec50
- Update the deprecated property and fix the empty value on macOS · 05c0b5d5
  Yaser Afshar authored Jul 18, 2020
  05c0b5d5
- consistently skip death tests at runtime when using OpenMPI without exceptions · 859da198
  Axel Kohlmeyer authored Jul 18, 2020
  
  859da198
- consistently skip death tests at runtime when using OpenMPI without exceptions · e0200cf3
  Axel Kohlmeyer authored Jul 18, 2020
  
  e0200cf3
Jul 18, 2020
- Merge pull request #2230 from evoyiatzis/widom · 211beaee
  Axel Kohlmeyer authored Jul 18, 2020
  211beaee
- add Widom spc/e example · 55c3d139
  Axel Kohlmeyer authored Jul 17, 2020
  
  55c3d139
- accept const std::string as argument in Group::find() · bf5c1dbc
  Axel Kohlmeyer authored Jul 17, 2020
  
  bf5c1dbc
- work around issue of the Intel compiler disguising as clang on macos · eff159ba
  Axel Kohlmeyer authored Jul 17, 2020
  
  eff159ba
- add missing group names in fix widom. refactor group definition in fix widom and gcmc · 4d4ae93e
  Axel Kohlmeyer authored Jul 17, 2020
  
  4d4ae93e
- accept const std::string as argument in Group::find() · 93ed07f4
  Axel Kohlmeyer authored Jul 17, 2020
  
  93ed07f4
- whitespace cleanup · 0e6531e2
  Axel Kohlmeyer authored Jul 17, 2020
  
  0e6531e2
- avoid floating point exception (log(0)) · 117499e8
  Axel Kohlmeyer authored Jul 17, 2020
  
  117499e8
- add lj example for fix widom · c9342aec
  Axel Kohlmeyer authored Jul 17, 2020
  
  c9342aec
- Merge branch 'collected-small-fixes' of github.com:rbberger/lammps into collected-small-changes · c5698ac9
  Axel Kohlmeyer authored Jul 17, 2020
  
  c5698ac9
- silence compiler warnings · 95c215d5
  Axel Kohlmeyer authored Jul 17, 2020
  
  95c215d5
- bugfix: reorder instructions · 65f9c1ab
  Axel Kohlmeyer authored Jul 17, 2020
  
  65f9c1ab
- when processing quoted strings, the quotes need to be removed · 0748b124
  Axel Kohlmeyer authored Jul 17, 2020
  
  0748b124

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