Commits · 41995b4665bdb2706540d247a08ff849e1388ab1 · 郑智淋 / lammps · GitLab

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Jun 18, 2020
- avoid false positives about memory leaks in force tester tools · 41995b46
  Axel Kohlmeyer authored Jun 18, 2020
  
  41995b46
- remove unused code · 547137f7
  Axel Kohlmeyer authored Jun 17, 2020
  
  547137f7
- don't validate compiler flags provided with CMAKE_TUNE_FLAGS anymore · d6ca98cb
  Axel Kohlmeyer authored Jun 17, 2020
  d6ca98cb
- Merge branch 'master' into collected-small-changes · 27912754
  Axel Kohlmeyer authored Jun 17, 2020
  
  27912754
- add tests for atom style charge · 753eb9b7
  Axel Kohlmeyer authored Jun 17, 2020
  
  753eb9b7
- Merge pull request #2163 from rbberger/more-whitespace · 586c81b1
  Axel Kohlmeyer authored Jun 17, 2020
  586c81b1
- remove a bunch of redundant tests and add checking for restarts and consecutive atom ids · a200756d
  Axel Kohlmeyer authored Jun 17, 2020
  
  a200756d
- ensure that a LAMMPS instance could be created and the eim pair style is available · 5bb97001
  Axel Kohlmeyer authored Jun 17, 2020
  
  5bb97001
- add test for using write_data/read_data for atom style atomic · afe874ac
  Axel Kohlmeyer authored Jun 17, 2020
  
  afe874ac
- make formatting consistent with lj/cut · 8a93c84e
  Axel Kohlmeyer authored Jun 17, 2020
  
  8a93c84e
- patch the source code to the ScaFaCoS lib with a proper fix instead of working... · 2d52a09d
  Axel Kohlmeyer authored Jun 17, 2020
  2d52a09d
Jun 17, 2020
- now also check all 'xxx_flag' variables · 27f1ce71
  Axel Kohlmeyer authored Jun 17, 2020
  
  27f1ce71
- add workaround to USER-SCAFACOS package CMake script for linker error in FMM with GNU gcc 10.0 · 34e46cc3
  Axel Kohlmeyer authored Jun 17, 2020
  
  34e46cc3
- start test for atom style charge · 73c7ed1e
  Axel Kohlmeyer authored Jun 17, 2020
  
  73c7ed1e
- call MPI_Finalize() so we don't have spurious memory leaks from MPI reported by valgrind · e88bb9dd
  Axel Kohlmeyer authored Jun 17, 2020
  
  e88bb9dd
- add exit() to one() functions since compilers may not recognize that MPI_Abort() does not return. · 39b61fbd
  Axel Kohlmeyer authored Jun 17, 2020
  
  39b61fbd
- check status of all per-atom fields · 61ace42e
  Axel Kohlmeyer authored Jun 17, 2020
  
  61ace42e
- simplify through using {fmt} · d990c1e7
  Axel Kohlmeyer authored Jun 17, 2020
  
  d990c1e7
- improve match for "id" first checks · 32c1dcf4
  Axel Kohlmeyer authored Jun 17, 2020
  
  32c1dcf4
- plug memory leak in AtomVec classes · db469b5c
  Axel Kohlmeyer authored Jun 17, 2020
  
  db469b5c
- add tester for atom styles · 49af2c25
  Axel Kohlmeyer authored Jun 17, 2020
  
  49af2c25
- update SNAP package inputs and reference logs to give consistent results in serial and parallel · 18837887
  Axel Kohlmeyer authored Jun 16, 2020
  
  18837887
- add [[ noreturn ]] attributes to functions in the Error class that do not return · 47b589bd
  Axel Kohlmeyer authored Jun 16, 2020
  
  47b589bd
- Merge branch 'commands-tests' into collected-small-changes · d8fbb5a1
  Axel Kohlmeyer authored Jun 16, 2020
  
  d8fbb5a1
- add infrastructure and first example for testing standalone LAMMPS input commands · 73a7fb53
  Axel Kohlmeyer authored Jun 16, 2020
  
  73a7fb53
Jun 16, 2020
- Fix whitespace · 9d749841
  Richard Berger authored Jun 16, 2020
  
  9d749841
- Keep file permissions while fixing whitespace issues · 95e79b23
  Richard Berger authored Jun 16, 2020
  
  95e79b23
- Change regex to detect more whitespace errors · 943d2524
  Richard Berger authored Jun 16, 2020
  
  943d2524
- Add non-zero exit code on whitespace check failure · 036b2bd8
  Richard Berger authored Jun 16, 2020
  
  036b2bd8
- Add non-zero exit code on permission check failure · 61235308
  Richard Berger authored Jun 16, 2020
  
  61235308
- use GMock initializer instead of GTest · 093c2854
  Axel Kohlmeyer authored Jun 16, 2020
  
  093c2854
- set metal units and add option to do verbose execution to EIM potential tester · 436c7615
  Axel Kohlmeyer authored Jun 16, 2020
  
  436c7615
- add units metadata check to legacy potential file reading method · 37a09998
  Axel Kohlmeyer authored Jun 16, 2020
  
  37a09998
- set units for potential file reader tests. allow verbose execution. · b5a80941
  Axel Kohlmeyer authored Jun 16, 2020
  
  b5a80941
- Merge pull request #2134 from akohlmey/next_lammps_version · 7a00ec90
  Axel Kohlmeyer authored Jun 15, 2020
  View commits for tag patch_15Jun2020 patch_15Jun2020
  
  7a00ec90
- Merge pull request #2157 from akohlmey/use-clang-format-demo · a598a66e
  Axel Kohlmeyer authored Jun 15, 2020
  a598a66e
- get rid of tabs and trailing whitespace · 30100d33
  Axel Kohlmeyer authored Jun 15, 2020
  
  30100d33
- remove executable permissions on files that should not have them · 3abbf571
  Axel Kohlmeyer authored Jun 15, 2020
  
  3abbf571
- fix typo · fd8cfed8
  Axel Kohlmeyer authored Jun 15, 2020
  
  fd8cfed8
- updates for using {fmt} and reordering of include statements exposing hidden includes · 05319cae
  Axel Kohlmeyer authored Jun 15, 2020
  
  05319cae

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