Commits · 9bc03034efc2a9d661a2e60dc903bbc5f56840b1 · 郑智淋 / lammps · GitLab

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May 28, 2020
- 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
- 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
- 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
- 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
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
- tweak error margin · b8544de3
  Axel Kohlmeyer authored May 21, 2020
  
  b8544de3
- properly honor verbose/no-verbose run flag · f9e57392
  Axel Kohlmeyer authored May 21, 2020
  
  f9e57392
- fix bug that messes up r-RESPA from some strange reason. · 4eca3c46
  Axel Kohlmeyer authored May 21, 2020
  
  4eca3c46
- use proper units (fmsec -> fs, psec -> ps and so on) · e784afd6
  Axel Kohlmeyer authored May 20, 2020
  
  e784afd6
- fix typo · 293bfa04
  Axel Kohlmeyer authored May 20, 2020
  
  293bfa04
- Merge pull request #2098 from lammps/unittest · 8691579d
  Axel Kohlmeyer authored May 20, 2020
  8691579d
- Merge pull request #2095 from stanmoore1/kk_snap_beta · 5281dea6
  Axel Kohlmeyer authored May 20, 2020
  5281dea6
- add option to test main program to override the value of the INPUT_FOLDER variable · 8bc2c474
  Axel Kohlmeyer authored May 20, 2020
  
  8bc2c474
- move definition of the INPUT_FOLDER variable from header to implementation file · 917b7dd4
  Axel Kohlmeyer authored May 20, 2020
  
  917b7dd4
- Merge pull request #2094 from akohlmey/collected-small-changes · 58ca1dcf
  Axel Kohlmeyer authored May 20, 2020
  58ca1dcf

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