Commits · 2710a2257450c74cb6957089a757b744ddee5ac4 · 郑智淋 / lammps · GitLab

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May 28, 2020
- Merge branch 'master' into tokenizer · 2710a225
  Richard Berger authored May 28, 2020
  
  2710a225
- Merge pull request #2108 from akohlmey/more-pair-style-tests · 315463e6
  Axel Kohlmeyer authored May 27, 2020
  315463e6
- Merge pull request #2111 from akohlmey/collected-small-changes · 69b86351
  Axel Kohlmeyer authored May 27, 2020
  69b86351
- Merge pull request #2110 from yafshar/kim · c47cbe5f
  Axel Kohlmeyer authored May 27, 2020
  c47cbe5f
- add some initial documentation about the included tests · 9bc03034
  Axel Kohlmeyer authored May 27, 2020
  
  9bc03034
- add tests for AIREBO/REBO family of potentials · 013756bf
  Axel Kohlmeyer authored May 27, 2020
  
  013756bf
- USER-INTEL tweaks for REBO family. will have to file bug reports at some point. · 78ad33eb
  Axel Kohlmeyer authored May 27, 2020
  
  78ad33eb
- remove unused variable definition · a1216c4f
  Axel Kohlmeyer authored May 27, 2020
  
  a1216c4f
- make sure we compile and link against mpi_stubs when BUILD_MPI is disabled · 9142d489
  Axel Kohlmeyer authored May 27, 2020
  
  9142d489
- Update PairComb and PairComb3 · 477a7125
  Richard Berger authored May 27, 2020
  
  477a7125
- Add Tersoff potential file read test · 507064d4
  Richard Berger authored May 27, 2020
  
  507064d4
- update makefiles for conventional build to always build a new static library · 477e18b7
  Axel Kohlmeyer authored May 27, 2020
  
  477e18b7
- Correct next_line in PotentialFileReader · 68e2c0bc
  Richard Berger authored May 27, 2020
  
  68e2c0bc
- Add unit tests for PotentialFileReader · 6d339c8b
  Richard Berger authored May 27, 2020
  
  6d339c8b
- Merge remote-tracking branch 'akohlmey/more-pair-style-tests' into tokenizer · caa43c7e
  Richard Berger authored May 27, 2020
  
  caa43c7e
- silence compiler warnings about unused arguments and variables and alike · e2765a5c
  Axel Kohlmeyer authored May 27, 2020
  
  e2765a5c
- add test for tabulated manybody styles · bb57e90a
  Axel Kohlmeyer authored May 27, 2020
  
  bb57e90a
May 27, 2020
- tests for MANYBODY almost complete · efbf9807
  Axel Kohlmeyer authored May 27, 2020
  
  efbf9807
- fix bug in pair style tersoff/zbl/omp · 7c9ad91d
  Axel Kohlmeyer authored May 27, 2020
  
  7c9ad91d
- Explicitly set the pValue pointer to NULL. · 4d237f66
  yafshar authored May 27, 2020
  4d237f66
- Merge branch 'more-pair-style-tests' into tokenizer · 3415ccd6
  Richard Berger authored May 27, 2020
  
  3415ccd6
- tweak bop test to run faster · b5b66d0e
  Axel Kohlmeyer authored May 27, 2020
  
  b5b66d0e
- tweak error margins to pass with gcc 9.x plus Release setting · 51e3cba0
  Axel Kohlmeyer authored May 27, 2020
  
  51e3cba0
- four more · 66e34f54
  Axel Kohlmeyer authored May 27, 2020
  
  66e34f54
- remove obsolete c++98 workaround warning · b208e39b
  Axel Kohlmeyer authored May 27, 2020
  
  b208e39b
- add tests for eam/cd and eim · 29bd22a7
  Axel Kohlmeyer authored May 26, 2020
  
  29bd22a7
- fix verbosity handling issue in pair style tests · 7f699e92
  Axel Kohlmeyer authored May 26, 2020
  
  7f699e92
- remove pair style eam/cd/omp which seems broken beyond repair · 2e3f03f9
  Axel Kohlmeyer authored May 26, 2020
  
  2e3f03f9
- Formatting · e01e72cc
  Richard Berger authored May 26, 2020
  
  e01e72cc
- Use Error::one in PotentialFileReader · 5e4ce8d0
  Richard Berger authored May 26, 2020
  
  5e4ce8d0
- Use PotentialFileReader in PairComb · 13942a4d
  Richard Berger authored May 26, 2020
  
  13942a4d
- Add PotentialFileReader and use it in PairSW · c302c0bc
  Richard Berger authored May 26, 2020
  
  c302c0bc
- add tests for comb and comb3 · 541ab46e
  Axel Kohlmeyer authored May 26, 2020
  
  541ab46e
- fix two memory allocation/deallocation bugs in pair style comb3 · ff3ebd4f
  Axel Kohlmeyer authored May 26, 2020
  
  ff3ebd4f
- cosmetic updates · 151d1fb4
  Axel Kohlmeyer authored May 26, 2020
  
  151d1fb4
- correct logic and also skip for USER-OMP · f1685afa
  Axel Kohlmeyer authored May 26, 2020
  
  f1685afa
- add test for bop · c91cad51
  Axel Kohlmeyer authored May 26, 2020
  
  c91cad51
- skip over newton_pair == off tests if newton_pair is forced to be on · 0f8ff07d
  Axel Kohlmeyer authored May 26, 2020
  
  0f8ff07d
- add tests for pair styles adp, atm, sw and tersoff and new data/input · dff78c19
  Axel Kohlmeyer authored May 26, 2020
  
  dff78c19
- Add count method to ValueTokenizer · 74249380
  Richard Berger authored May 26, 2020
  
  74249380

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