Commits · c22bbecb5882ae50bded2556cffd1258d1d150bb · 郑智淋 / lammps · GitLab

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May 28, 2020
- Update pair tersoff · c22bbecb
  Richard Berger authored May 27, 2020
  
  c22bbecb
- Merge remote-tracking branch 'akohlmey/more-pair-style-tests' into tokenizer · dddc34e2
  Richard Berger authored May 27, 2020
  
  dddc34e2
- 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
- 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
- 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
- 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
- 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
May 22, 2020
- Merge pull request #2101 from rbberger/unittest_compilation_bugfix · 5e3fe197
  Axel Kohlmeyer authored May 21, 2020
  5e3fe197
- Make sure include directories are passed to test binaries · 73b537f6
  Richard Berger authored May 21, 2020
  
  73b537f6
- Merge pull request #2100 from akohlmey/respa-related-fixes-and-unittest · 8de04627
  Axel Kohlmeyer authored May 21, 2020
  8de04627
May 21, 2020
- add code owners for unit tests · 8e92530e
  Axel Kohlmeyer authored May 21, 2020
  
  8e92530e
- add a test for r-RESPA (only with newton on and for plain styles for now) · 4f44159d
  Axel Kohlmeyer authored May 21, 2020
  
  4f44159d
- only collect the per-atom data specific to this test to compare against total pe. · 0788a8ee
  Axel Kohlmeyer authored May 21, 2020
  
  0788a8ee
- must skip corresponding per-atom data accumulation if compute_flag for pair or kspace is 0 · 799b676f
  Axel Kohlmeyer authored May 21, 2020
  
  799b676f
- add missing "reciprocal" · 2371db32
  Axel Kohlmeyer authored May 21, 2020
  
  2371db32
- update false positives list for time units correction to the docs · 2dad3cbb
  Axel Kohlmeyer authored May 21, 2020
  
  2dad3cbb

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