Commits · 0788a8ee4facbf2777273816ce1b94f7195ca60f · 郑智淋 / lammps · GitLab

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May 21, 2020
- 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
- consolidate setting CMake policy CMP0074 into main cmake file · 48a9e0d7
  Axel Kohlmeyer authored May 19, 2020
  
  48a9e0d7
May 19, 2020
- update test for whether to set CMake policy CMP0074 is needed. · 16db223d
  Axel Kohlmeyer authored May 19, 2020
  
  16db223d
- reintroduce bugfix for bessel function distributed random numbers · ffaa77af
  Axel Kohlmeyer authored May 19, 2020
  
  ffaa77af
- add support for extracting r0 array to bond style zero · 4ac7a26f
  Axel Kohlmeyer authored May 18, 2020
  
  4ac7a26f
- the first argument to Bond::extract() should be `const char *` not `char *`. · 6b1dbe23
  Axel Kohlmeyer authored May 18, 2020
  
  6b1dbe23
- need to set CMake policy CMP0074 to NEW behavior also for finding TBB Malloc · 93fe3355
  Axel Kohlmeyer authored May 18, 2020
  
  93fe3355
- avoid segfault with eam/intel when using it with a hybrid pair style · 8395ec9e
  Axel Kohlmeyer authored May 18, 2020
  
  8395ec9e
May 18, 2020
- Fix redundant computation in SNAP on GPUs · c67ca88b
  Stan Moore authored May 18, 2020
  
  c67ca88b
May 16, 2020
- add missing coulomb tabulation to pair style lj/class2/coul/long · 9ed2824d
  Axel Kohlmeyer authored May 15, 2020
  
  9ed2824d
- silence compiler warning · dc74fac4
  Axel Kohlmeyer authored May 15, 2020
  
  dc74fac4
- drop fftw_cleanup() completely · fa7319e6
  Christoph Junghans authored May 15, 2020
  
  fa7319e6

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