Commits · 6d80435b51f1c55b281cf4b282f107c68847b1ca · 郑智淋 / lammps · GitLab

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Aug 13, 2020
- Refactoring dump_atom.cpp · 6d80435b
  Richard Berger authored Aug 13, 2020
  
  6d80435b
- Rename test_dump.cpp to test_dump_atom.cpp · 836ba01d
  Richard Berger authored Aug 13, 2020
  
  836ba01d
- Add failure tests to dump atom · 7b0bfed0
  Richard Berger authored Aug 13, 2020
  
  7b0bfed0
- Add UNITS information to dump atom binary format · 6d825dcb
  Richard Berger authored Aug 13, 2020
  
  6d825dcb
- Add tests for units in dump atom · b27d6305
  Richard Berger authored Aug 13, 2020
  
  b27d6305
Aug 12, 2020
- Increase test coverage of dump atom · 3dda6b57
  Richard Berger authored Aug 11, 2020
  
  3dda6b57
- Remove debug message · ef13372d
  Richard Berger authored Aug 11, 2020
  
  ef13372d
- Add dump atom tests with image=yes · 873b8b01
  Richard Berger authored Aug 11, 2020
  
  873b8b01
- Extends header of new binary format of dump atom · 560c29a0
  Richard Berger authored Aug 11, 2020
  
  560c29a0
- Fix binary2txt output for triclinic · 1238ad5d
  Richard Berger authored Aug 11, 2020
  
  1238ad5d
- Add triclinic tests for dump atom · b08751d6
  Richard Berger authored Aug 11, 2020
  
  b08751d6
- Fix typo · 83f81c42
  Richard Berger authored Aug 11, 2020
  
  83f81c42
- Sync DumpAtom and binary2txt to generate the same · 2ad9e06b
  Richard Berger authored Aug 11, 2020
  2ad9e06b
- Add tests for dumps · e3a1fd7c
  Richard Berger authored Aug 11, 2020
  
  e3a1fd7c
Aug 11, 2020
- Add Info::get_mpi_vendor() function · 175a6c26
  Richard Berger authored Aug 10, 2020
  
  175a6c26
- Remove strtok from reader_native.cpp · 7d8dcb0f
  Richard Berger authored Aug 10, 2020
  
  7d8dcb0f
- Remove strtok in thermo.cpp · b12f9d51
  Richard Berger authored Aug 10, 2020
  
  b12f9d51
- Remove unused function · 079cc123
  Richard Berger authored Aug 10, 2020
  
  079cc123
- Merge branch 'master' into refactor-reading · e2b113b5
  Richard Berger authored Aug 10, 2020
  
  e2b113b5
- Merge pull request #2281 from jtclemm/patch_fix_store · 6f1055a9
  Axel Kohlmeyer authored Aug 10, 2020
  6f1055a9
Aug 10, 2020
- revert permission change and replace 'b/c' with 'because' · e3beec8b
  Axel Kohlmeyer authored Aug 10, 2020
  
  e3beec8b
Aug 08, 2020
- Replaced mistakenly dropped line · d0720794
  jtclemm authored Aug 08, 2020
  
  d0720794
- Added cautionary comments · 41904f79
  jtclemm authored Aug 08, 2020
  
  41904f79
- Merge pull request #2282 from akohlmey/more-unit-tests · 2775b937
  Axel Kohlmeyer authored Aug 07, 2020
  2775b937
- tweak epsilon · 54b93316
  Axel Kohlmeyer authored Aug 07, 2020
  
  54b93316
- set molecule ids for testing interlayer potentials · 7aae5ba5
  Axel Kohlmeyer authored Aug 07, 2020
  
  7aae5ba5
- avoid sqrt computation on cutoffs. make single functions consistent with compute · 17b74762
  Axel Kohlmeyer authored Aug 07, 2020
  
  17b74762
- add test for lj/smooth/linear and gaus/cut · 9f469623
  Axel Kohlmeyer authored Aug 07, 2020
  
  9f469623
- add tests for pair style coul/streitz · e169a5c7
  Axel Kohlmeyer authored Aug 07, 2020
  
  e169a5c7
- use open_potential in pair style coul/streitz · a17633bd
  Axel Kohlmeyer authored Aug 07, 2020
  
  a17633bd
- add tests for coul/shield, coul/slater/cut and coul/slater/long · c5cd1081
  Axel Kohlmeyer authored Aug 07, 2020
  
  c5cd1081
- fix restart bug in pair style coul/shield · 2ffa7430
  Axel Kohlmeyer authored Aug 07, 2020
  
  2ffa7430
- add test for pair style coul/diel · 7d26fbc6
  Axel Kohlmeyer authored Aug 07, 2020
  
  7d26fbc6
- fix bug in reading binary restarts for pair style coul/diel · e217635e
  Axel Kohlmeyer authored Aug 07, 2020
  
  e217635e
- add test for pair style edip/multi · 0537cc72
  Axel Kohlmeyer authored Aug 07, 2020
  
  0537cc72
- add test for pair style edip · ec0c3d60
  Axel Kohlmeyer authored Aug 07, 2020
  
  ec0c3d60
- fix indexing bug in pair style edip/omp · 4542a39f
  Axel Kohlmeyer authored Aug 07, 2020
  
  4542a39f
- add test for pair style meam/sw/spline · 8e0dccee
  Axel Kohlmeyer authored Aug 07, 2020
  
  8e0dccee
- add test for pair style meam/spline · 51decfcf
  Axel Kohlmeyer authored Aug 07, 2020
  
  51decfcf
- atom type to element mapping is not done correctly. for now require exactly... · 04cc5df2
  Axel Kohlmeyer authored Aug 07, 2020
  04cc5df2

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