Commits · 181b7cf34f9b3f8ece15bba00d1b821d4dabf775 · 郑智淋 / lammps · GitLab

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Jul 16, 2020
- Merge branch 'master' into write-bonus-data · 181b7cf3
  Axel Kohlmeyer authored Jul 15, 2020
  
  181b7cf3
- Merge pull request #2212 from akohlmey/compute-chunk-scalar · 0105d1ca
  Axel Kohlmeyer authored Jul 15, 2020
  0105d1ca
- Merge pull request #2218 from lammps/reset-molecules · 1021f575
  Axel Kohlmeyer authored Jul 15, 2020
  1021f575
- don't set CMAKE_TUNE_FLAGS to anything by default · 73a076da
  Axel Kohlmeyer authored Jul 15, 2020
  
  73a076da
- add recently added names to false positives list · 8949b2f1
  Axel Kohlmeyer authored Jul 15, 2020
  
  8949b2f1
- Merge branch 'master' into write-bonus-data · bf37e6aa
  Axel Kohlmeyer authored Jul 15, 2020
  
  bf37e6aa
- Merge pull request #2231 from stanmoore1/reax_hybrid · 7a312ca8
  Axel Kohlmeyer authored Jul 15, 2020
  7a312ca8
- Merge pull request #2234 from akohlmey/collected-small-fixes · 4cbe0954
  Axel Kohlmeyer authored Jul 15, 2020
  4cbe0954
- Add missing sync · 74aa1d48
  Stan Moore authored Jul 15, 2020
  
  74aa1d48
Jul 15, 2020
- use fmtlib to remove BIGINT_FORMAT · b37b45c8
  Axel Kohlmeyer authored Jul 15, 2020
  
  b37b45c8
- print warning for unknown/unsupported CUDA versions · aa826081
  Axel Kohlmeyer authored Jul 15, 2020
  
  aa826081
- update CMake script for GPU package to include handling of Arch 8.0 and CUDA 11 · a082895b
  Axel Kohlmeyer authored Jul 15, 2020
  
  a082895b
- guard better against 32-bit overflows for reax/c lists · 2580ca78
  Axel Kohlmeyer authored Jul 15, 2020
  
  2580ca78
- don't use error class if pointer variable has not been initialized · e3818f03
  Axel Kohlmeyer authored Jul 15, 2020
  
  e3818f03
- check against BODY package for body styles · 2fb0f953
  Axel Kohlmeyer authored Jul 14, 2020
  
  2fb0f953
- complete tester module for atom style body/nparticle · ad818717
  Axel Kohlmeyer authored Jul 14, 2020
  
  ad818717
- Merge branch 'write-bonus-data' of github.com:lammps/lammps into write-bonus-data · a7a63ee3
  Axel Kohlmeyer authored Jul 14, 2020
  
  a7a63ee3
- update intel compiler requirements and document alignment issues · d37bb0fd
  Axel Kohlmeyer authored Jul 14, 2020
  
  d37bb0fd
- updated rules for rounded body particles · 449d7be8
  Steve Plimpton authored Jul 14, 2020
  
  449d7be8
- Merge branch 'master' into collected-small-fixes · 1ddd8aa9
  Axel Kohlmeyer authored Jul 14, 2020
  
  1ddd8aa9
- update tester some more · d3392dba
  Axel Kohlmeyer authored Jul 14, 2020
  
  d3392dba
- switch completed section from EXPECT to ASSERT · fd2b5b1c
  Axel Kohlmeyer authored Jul 14, 2020
  
  fd2b5b1c
- must advance buffer while package bonus items, but only when a buffer is given · bc3860b4
  Axel Kohlmeyer authored Jul 14, 2020
  
  bc3860b4
- add code to check for duplicate atom IDs in Bodies section · b33974cd
  Axel Kohlmeyer authored Jul 14, 2020
  
  b33974cd
- revert incorrect zeroing of non-existing inertia array elements · be440c71
  Axel Kohlmeyer authored Jul 14, 2020
  
  be440c71
Jul 14, 2020
- Don't need virtual keyword · dcbdc745
  Stan Moore authored Jul 14, 2020
  
  dcbdc745
- update body/nparticle tester · d6e6b840
  Axel Kohlmeyer authored Jul 14, 2020
  
  d6e6b840
- zero all six moments of inertia if small. · 54862995
  Axel Kohlmeyer authored Jul 14, 2020
  
  54862995
- Fix issue with Kokkos ReaxFF and pair hybrid · 001dcb6b
  Stan Moore authored Jul 14, 2020
  
  001dcb6b
- Merge pull request #2229 from ellio167/pair_kim_before_box · 9068d17a
  Axel Kohlmeyer authored Jul 14, 2020
  9068d17a
- silence compiler warning · 113825f8
  Axel Kohlmeyer authored Jul 14, 2020
  
  113825f8
- Merge branch 'write-bonus-data' of github.com:lammps/lammps into write-bonus-data · 20824203
  Axel Kohlmeyer authored Jul 14, 2020
  
  20824203
- start writing tester for body/nparticle · 18928c66
  Axel Kohlmeyer authored Jul 13, 2020
  
  18928c66
- start writing tester for body/nparticle · 4b9c2ab1
  Axel Kohlmeyer authored Jul 13, 2020
  
  4b9c2ab1
- fix bug in tester for atom style tri · ea1d4477
  Axel Kohlmeyer authored Jul 13, 2020
  
  ea1d4477
- fix typo, reformat paragraph · 5a73b1de
  Axel Kohlmeyer authored Jul 13, 2020
  
  5a73b1de
- simplify and make more readable using utils:: functions · e5d532c2
  Axel Kohlmeyer authored Jul 13, 2020
  
  e5d532c2
- tweak output format · 40e3fcd7
  Axel Kohlmeyer authored Jul 13, 2020
  
  40e3fcd7
- remove unused class members · 46675361
  Axel Kohlmeyer authored Jul 13, 2020
  
  46675361
- tweak box output format to include decimal point · 315c829b
  Axel Kohlmeyer authored Jul 13, 2020
  
  315c829b

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