Commits · 91f97fa74c7d9693fe1a92d441829eebf6df12c4 · 郑智淋 / lammps · GitLab

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Jul 17, 2020
- Remove the previously created KIM log file. · 91f97fa7
  Yaser Afshar authored Jul 16, 2020
  
  91f97fa7
- Fix the `write_log_cite` interface. · 88221061
  Yaser Afshar authored Jul 16, 2020
  88221061
- Merge pull request #2219 from lammps/write-bonus-data · ad02d7a5
  Axel Kohlmeyer authored Jul 16, 2020
  ad02d7a5
- allow fix nvt/body npt/body and nph/body to be used for groups other than "all" · 34fdfb6b
  Axel Kohlmeyer authored Jul 16, 2020
  
  34fdfb6b
- make sure output buffer is initialized · 92f194ac
  Axel Kohlmeyer authored Jul 16, 2020
  
  92f194ac
- simplify · f344629a
  Axel Kohlmeyer authored Jul 16, 2020
  
  f344629a
- fix typo · 209d3ff3
  Axel Kohlmeyer authored Jul 16, 2020
  
  209d3ff3
- Merge branch 'master' into write-bonus-data · 35b03001
  Axel Kohlmeyer authored Jul 16, 2020
  
  35b03001
Jul 16, 2020
- Merge pull request #2206 from ohenrich/mc-fix-bond-create-angle · 9a13ad52
  Axel Kohlmeyer authored Jul 16, 2020
  9a13ad52
- Merge branch 'master' into write-bonus-data · ee10b200
  Axel Kohlmeyer authored Jul 15, 2020
  
  ee10b200
- reformat and rephrase text about availability of fix bond/create/angle only keyword · 25a836b7
  Axel Kohlmeyer authored Jul 15, 2020
  
  25a836b7
- add fix bond/create/angle to list in Fix command page · 52b30b11
  Axel Kohlmeyer authored Jul 15, 2020
  
  52b30b11
- Merge branch 'master' into mc-fix-bond-create-angle · d7ef1b00
  Axel Kohlmeyer authored Jul 15, 2020
  
  d7ef1b00
- Merge pull request #2237 from yafshar/memory · 438346a9
  Axel Kohlmeyer authored Jul 15, 2020
  438346a9
- Merge pull request #2236 from stanmoore1/kk_qeq_nevery · dff2e93e
  Axel Kohlmeyer authored Jul 15, 2020
  dff2e93e
- Fix the system-dependent function call to `malloc_usable_size`. · 508a38a7
  Yaser Afshar authored Jul 15, 2020
  508a38a7
- Merge branch 'master' of https://github.com/lammps/lammps into kk_qeq_nevery · 71344aaa
  Stan Moore authored Jul 15, 2020
  
  71344aaa
- 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
- Changed paragraph as per request · dee38c26
  Oliver Henrich authored Jul 15, 2020
  
  dee38c26
- Fix issues in Kokkos fix qeq/reax · a392f212
  Stan Moore authored Jul 15, 2020
  
  a392f212
- 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

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