Commits · 08cb7664a3f1b183c46ee2291c6be1a9602e99b3 · 郑智淋 / lammps · GitLab

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Jun 20, 2020
- renumber customization comments · 08cb7664
  Axel Kohlmeyer authored Jun 19, 2020
  
  08cb7664
- move deleting all array data associated with an atom style to AtomVec base class destructor · 4a447f18
  Axel Kohlmeyer authored Jun 19, 2020
  
  4a447f18
Jun 19, 2020
- relax a few more test criteria to be compatible with intel compilers · 4d630904
  Axel Kohlmeyer authored Jun 19, 2020
  
  4d630904
- change logic of selecting and allowing sanitizer options to be compatible with... · 8f4e18ba
  Axel Kohlmeyer authored Jun 19, 2020
  8f4e18ba
- better and more general version of the previous commit · 0249cf75
  Axel Kohlmeyer authored Jun 19, 2020
  
  0249cf75
- make certain that allocated buffers in Comm::rendezvous_all2all() are not NULL · a4de04d8
  Axel Kohlmeyer authored Jun 19, 2020
  
  a4de04d8
- relax some test epsilons · 343241cb
  Axel Kohlmeyer authored Jun 19, 2020
  
  343241cb
- try to work around linker issues with older CMake versions and using coverage or sanitizers · e934f7ba
  Axel Kohlmeyer authored Jun 19, 2020
  
  e934f7ba
- reorganize memory (de-)allocation and fix substantial memory leak in MSM · f78671c1
  Axel Kohlmeyer authored Jun 18, 2020
  
  f78671c1
- simplify memory management and plug leaks in pair style bop · 02ffa46f
  Axel Kohlmeyer authored Jun 18, 2020
  
  02ffa46f
- plug memory leaks in pair style comb and comb3 · 32870951
  Axel Kohlmeyer authored Jun 18, 2020
  
  32870951
- prevent memory leaks in pair style tersoff/table · fcdd2c50
  Axel Kohlmeyer authored Jun 18, 2020
  
  fcdd2c50
- document coding style and sanitizing options · b83fab92
  Axel Kohlmeyer authored Jun 18, 2020
  
  b83fab92
- update coding style · dfe860c4
  Axel Kohlmeyer authored Jun 18, 2020
  
  dfe860c4
- address memory leak and C versus C++ programming issues in pair style polymorphic · a42c6889
  Axel Kohlmeyer authored Jun 18, 2020
  
  a42c6889
- make sure delete gc[n] is safe · bfe42e3f
  Axel Kohlmeyer authored Jun 18, 2020
  
  bfe42e3f
- avoid false positive · 5e597e55
  Axel Kohlmeyer authored Jun 18, 2020
  
  5e597e55
- allow sanitizers also be active for force style test codes · 786473a1
  Axel Kohlmeyer authored Jun 18, 2020
  
  786473a1
Jun 18, 2020
- plug small memory leak in pair style eam/cd · 8816d7fe
  Axel Kohlmeyer authored Jun 18, 2020
  
  8816d7fe
- make sanitizers an explicit cmake option (again) so we can set the flags properly · b866ea68
  Axel Kohlmeyer authored Jun 18, 2020
  
  b866ea68
- tell GNU gcc to not try to optimize the atom style tester tool · b0842a3f
  Axel Kohlmeyer authored Jun 18, 2020
  
  b0842a3f
- 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

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