Commits · 0246feb1c22dcc37b89adc24c6bc5285fd7e605c · 郑智淋 / lammps · GitLab

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Jul 19, 2020
- 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 the error messages · c1a650d5
  Yaser Afshar authored Jul 18, 2020
  c1a650d5
- clean up the code · 610fea20
  Yaser Afshar authored Jul 18, 2020
  
  610fea20
- update the kim_init command test · bc47ec50
  Yaser Afshar authored Jul 18, 2020
  
  bc47ec50
- consistently skip death tests at runtime when using OpenMPI without exceptions · 859da198
  Axel Kohlmeyer authored Jul 18, 2020
  
  859da198
Jul 18, 2020
- fix the return call status · 5c191e1e
  Yaser Afshar authored Jul 17, 2020
  
  5c191e1e
Jul 17, 2020
- when processing quoted strings, the quotes need to be removed · cdbcacff
  Axel Kohlmeyer authored Jul 17, 2020
  
  cdbcacff
- quote argument that needs to be kept intact · a0bfe932
  Axel Kohlmeyer authored Jul 17, 2020
  
  a0bfe932
- start tester tool for KIM commands · 5fe83755
  Axel Kohlmeyer authored Jul 17, 2020
  
  5fe83755
- refactor code to make better use of std::string and simplify using changes to Variable class API · 2fb6a61f
  Axel Kohlmeyer authored Jul 17, 2020
  
  2fb6a61f
- add convenience function to allow variable->set() command with a single string argument · 63bebf58
  Axel Kohlmeyer authored Jul 17, 2020
  
  63bebf58
- use const char * instead of char * so we don't need a cast for string constants · dd7bc1d3
  Axel Kohlmeyer authored Jul 17, 2020
  
  dd7bc1d3
- silence compiler warning · 4743bf4e
  Axel Kohlmeyer authored Jul 17, 2020
  
  4743bf4e
- Merge branch 'master' into kim_fix · b61276b5
  Axel Kohlmeyer authored Jul 17, 2020
  
  b61276b5
- simplify and get rid of strtok() · 74c9c155
  Axel Kohlmeyer authored Jul 17, 2020
  
  74c9c155
- Replace macro with `std::to_string` · 5df8be2c
  Yaser Afshar authored Jul 16, 2020
  5df8be2c
- Replace macro with `std::to_string` · 1b0f35c2
  Yaser Afshar authored Jul 16, 2020
  1b0f35c2
- Replace macro with `std::to_string` · 168fe438
  Yaser Afshar authored Jul 16, 2020
  168fe438
- Replace macro with `std::to_string` · 78ddce5d
  Yaser Afshar authored Jul 16, 2020
  78ddce5d
- Clean up the code · 08dd79b1
  Yaser Afshar authored Jul 16, 2020
  
  08dd79b1
- Clean up the code · dbbc60b4
  Yaser Afshar authored Jul 16, 2020
  
  dbbc60b4
- Clean up the code · dff117fe
  Yaser Afshar authored Jul 16, 2020
  
  dff117fe
- Clean up the code · f163477d
  Yaser Afshar authored Jul 16, 2020
  
  f163477d
- Clean up the code & replace tabs with white spaces · 54b47212
  Yaser Afshar authored Jul 16, 2020
  
  54b47212
- Clean up the code · 81f8590d
  Yaser Afshar authored Jul 16, 2020
  
  81f8590d
- Clean up the code · 96615ea9
  Yaser Afshar authored Jul 16, 2020
  
  96615ea9
- Remove the previously created KIM log file. · 91f97fa7
  Yaser Afshar authored Jul 16, 2020
  
  91f97fa7
- Merge pull request #2228 from athomps/compute-mliap · 585ed5e1
  Axel Kohlmeyer authored Jul 16, 2020
  585ed5e1
- Fix the `write_log_cite` interface. · 88221061
  Yaser Afshar authored Jul 16, 2020
  88221061
- whitespace fixes · e98056c0
  Axel Kohlmeyer authored Jul 16, 2020
  
  e98056c0
- add missing empty line · 31cfc99a
  Axel Kohlmeyer authored Jul 16, 2020
  
  31cfc99a
- Merge branch 'master' into compute-mliap · 52715cc8
  Axel Kohlmeyer authored Jul 16, 2020
  
  52715cc8
- Merge pull request #2219 from lammps/write-bonus-data · ad02d7a5
  Axel Kohlmeyer authored Jul 16, 2020
  ad02d7a5
- allow fix nvt/body npt/body and nph/body to be used for groups other than "all" · 34fdfb6b
  Axel Kohlmeyer authored Jul 16, 2020
  
  34fdfb6b
- make sure output buffer is initialized · 92f194ac
  Axel Kohlmeyer authored Jul 16, 2020
  
  92f194ac
- simplify · f344629a
  Axel Kohlmeyer authored Jul 16, 2020
  
  f344629a
- fix typo · 209d3ff3
  Axel Kohlmeyer authored Jul 16, 2020
  
  209d3ff3
- Merge branch 'master' into write-bonus-data · 35b03001
  Axel Kohlmeyer authored Jul 16, 2020
  
  35b03001

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