Commits · 48a9e0d73212657c6f5300cbfffa5b85c4e5b375 · 郑智淋 / lammps · GitLab

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May 20, 2020
- 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 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
May 15, 2020
- fix bug in USER-OMP with "pair_modify compute no" and "kspace_modify compute no" · 37442ca5
  Axel Kohlmeyer authored May 15, 2020
  
  37442ca5
- Do not use -ffast-math by default. Too large a chance of miscompiled code. · e36d2ce3
  Axel Kohlmeyer authored May 14, 2020
  
  e36d2ce3
- dihedral base class did not initialize suffix_flag member. · 87c34fb1
  Axel Kohlmeyer authored May 14, 2020
  
  87c34fb1
May 12, 2020
- Merge pull request #2082 from stanmoore1/kk_bigint · 20ad924a
  Axel Kohlmeyer authored May 11, 2020
  20ad924a
- Merge pull request #2080 from akohlmey/collected-small-changes · 040cbe37
  Axel Kohlmeyer authored May 11, 2020
  040cbe37
- simplify · 3d018698
  Axel Kohlmeyer authored May 11, 2020
  
  3d018698
- update Kokkos related documentation about JIT compilation and UVM. · a6cfe8f6
  Axel Kohlmeyer authored May 11, 2020
  
  a6cfe8f6
- Merge pull request #2074 from akohlmey/singularity-update · af1aa034
  Axel Kohlmeyer authored May 11, 2020
  af1aa034
- Fix 32-bit integer overflow in Kokkos neighlist build · b1ac51f7
  Stan Moore authored May 11, 2020
  
  b1ac51f7
- fix "use of class after delete" bug · 23c55b00
  Axel Kohlmeyer authored May 11, 2020
  
  23c55b00
- improve readability · 0ab3ebba
  Axel Kohlmeyer authored May 11, 2020
  
  0ab3ebba
May 11, 2020
- elimitate nthreads member, change threads from int to bool and determine... · 822c7c5c
  Axel Kohlmeyer authored May 11, 2020
  822c7c5c
- Merge branch 'collected-small-changes' of github.com:akohlmey/lammps into collected-small-changes · 8228cc89
  Axel Kohlmeyer authored May 10, 2020
  8228cc89
- a new communicator should have a different number than the old · 6e536087
  Axel Kohlmeyer authored May 10, 2020
  
  6e536087
- don't use C++ style comments in C code · 4ee5eee7
  Axel Kohlmeyer authored May 10, 2020
  
  4ee5eee7
- define _noopt macro with -D_FORTIFY_SOURCE to be empty to avoid false positives · afd76931
  Axel Kohlmeyer authored May 10, 2020
  
  afd76931
- fix issues in AtomVec refactoring detected by compiler warnings · 987bff27
  Axel Kohlmeyer authored May 10, 2020
  
  987bff27
May 10, 2020
- fix issues in AtomVec refactoring detected by compiler warnings · 873a638c
  Axel Kohlmeyer authored May 09, 2020
  
  873a638c
May 09, 2020
- Merge pull request #2077 from rbberger/cmake-fixes · b799e44e
  Axel Kohlmeyer authored May 08, 2020
  b799e44e
- Use absolute path to LAMMPS_DIR for collecting git info · cbd4ce51
  Richard Berger authored May 08, 2020
  
  cbd4ce51
- Merge pull request #1788 from lammps/atomvec-custom · 06737ce7
  Axel Kohlmeyer authored May 08, 2020
  06737ce7
- Merge pull request #2073 from ndtrung81/gpu-triclinic · 6b7e0df7
  Axel Kohlmeyer authored May 08, 2020
  6b7e0df7
- update .gitignore and Purge.list · 366d3fe2
  Axel Kohlmeyer authored May 08, 2020
  
  366d3fe2
May 08, 2020
- remove trailing whitespace · 9004b472
  Axel Kohlmeyer authored May 08, 2020
  
  9004b472
- make OpenMPI only use shared memory comm by default and silence some warnings · eefeaf4d
  Axel Kohlmeyer authored May 07, 2020
  
  eefeaf4d
- Add Kokkos vel methods · 18c77db8
  Stan Moore authored May 07, 2020
  
  18c77db8
- Merge pull request #2071 from wmbrownIntel/wmb_mf_cleanup · 095801e1
  Axel Kohlmeyer authored May 07, 2020
  095801e1
- no need to include googletest libs, we download and compile internally · d7650e8e
  Axel Kohlmeyer authored May 07, 2020
  
  d7650e8e
- Initialize variables since Kokkos doesn't call setup_fields · 5db1e4fe
  Stan Moore authored May 07, 2020
  
  5db1e4fe
- Merge pull request #2069 from junghans/latte_v1.2.2 · 3b77546e
  Axel Kohlmeyer authored May 07, 2020
  3b77546e
- Merge pull request #2070 from junghans/kokkos_v3.1.01 · 5fa7e138
  Axel Kohlmeyer authored May 07, 2020
  5fa7e138

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