Commits · ff3ebd4f6a94004db48dab42ff18bfa396af9ea4 · 郑智淋 / lammps · GitLab

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May 27, 2020
- 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
- Merge pull request #2093 from junghans/lammps_cleanup · c50bd25d
  Axel Kohlmeyer authored May 20, 2020
  c50bd25d
May 20, 2020
- cosmetic changes for consistent source formatting · 2536076c
  Axel Kohlmeyer authored May 20, 2020
  
  2536076c
- build common unit test sources into a static library and link with it · 2712a20f
  Axel Kohlmeyer authored May 20, 2020
  
  2712a20f
- Simplify tests · 76fb7972
  Richard Berger authored May 20, 2020
  
  76fb7972
- Fix indentation · 5533b923
  Richard Berger authored May 20, 2020
  
  5533b923
- Use std::make_pair · ad6ae731
  Richard Berger authored May 20, 2020
  
  ad6ae731
- Cleanup · 34456294
  Richard Berger authored May 20, 2020
  
  34456294
- Remove duplicated read_yaml_file function · 46e0c8b6
  Richard Berger authored May 20, 2020
  
  46e0c8b6
- Remove another unneeded class · 73e766b9
  Richard Berger authored May 20, 2020
  
  73e766b9
- Remove unnecessary classes · 50d4cf21
  Richard Berger authored May 19, 2020
  
  50d4cf21
- Remove multiple definitions of STRINGIFY · c0acb3a4
  Richard Berger authored May 19, 2020
  
  c0acb3a4
- add unit test framework for pair, bond, angle styles from progguide branch · c04a71a2
  Axel Kohlmeyer authored May 19, 2020
  
  c04a71a2
- add support for extracting r0 array to bond style zero · 1517daea
  Axel Kohlmeyer authored May 18, 2020
  
  1517daea
- the first argument to Bond::extract() should be `const char *` not `char *`. · 16ce10ae
  Axel Kohlmeyer authored May 18, 2020
  
  16ce10ae
- OpenMPI's "sm" transport layer has gone from some newer versions. use "tcp" as... · 5827f69d
  Axel Kohlmeyer authored May 19, 2020
  5827f69d

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