Commits · d688624335954315f44ae97e8309cd649e57c880 · 郑智淋 / lammps · GitLab

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Jul 30, 2019
- Merge pull request #1581 from akohlmey/comm-cutoff-with-bond · d6886243
  Axel Kohlmeyer authored Jul 29, 2019
  d6886243
- Merge pull request #1588 from akohlmey/cmake-installation-folder-bugfix · 191044ab
  Axel Kohlmeyer authored Jul 29, 2019
  191044ab
- add false positive · e0b20c4f
  Axel Kohlmeyer authored Jul 29, 2019
  
  e0b20c4f
- provide some more details about 'make install' with CMake · 6a1b6163
  Axel Kohlmeyer authored Jul 29, 2019
  
  6a1b6163
- .frc files only need to be installed if msi2lmp is built · 96e0b03e
  Axel Kohlmeyer authored Jul 29, 2019
  
  96e0b03e
- need to install some base C++ headers for C++ library use · 53075587
  Axel Kohlmeyer authored Jul 29, 2019
  
  53075587
Jul 27, 2019
- Merge pull request #1580 from stanmoore1/kk_cuda_aware · 35cee904
  Axel Kohlmeyer authored Jul 26, 2019
  35cee904
- Fix typo · f2dbe186
  Stan Moore authored Jul 26, 2019
  
  f2dbe186
- Cleanup of CUDA-aware MPI code · e816f0e7
  Stan Moore authored Jul 26, 2019
  
  e816f0e7
- Add MPI_Get_library_version to STUBS library · 0ba854b4
  Stan Moore authored Jul 26, 2019
  
  0ba854b4
- Merge pull request #1587 from valleymouth/bug_nve · f4a98417
  Axel Kohlmeyer authored Jul 26, 2019
  f4a98417
- Better workaround for Spectrum MPI · 17d6b317
  Stan Moore authored Jul 26, 2019
  
  17d6b317
Jul 26, 2019
- correct shell profile variables to point to the installation directory · 0bb9df76
  Axel Kohlmeyer authored Jul 26, 2019
  
  0bb9df76
- Fixing remaining wrong indexing of rmass in nve/kk. · ca1fece8
  Denis Taniguchi authored Jul 26, 2019
  
  ca1fece8
- simplify installation of data folders and make it consistent · e8d891c0
  Axel Kohlmeyer authored Jul 26, 2019
  e8d891c0
- Fixing bug in nve/kk when using rmass. · 179b5071
  Denis Taniguchi authored Jul 26, 2019
  
  179b5071
- Merge pull request #1584 from akohlmey/bonded-hybrid-restart · 9bedd0d0
  Axel Kohlmeyer authored Jul 25, 2019
  9bedd0d0
- revise logic and documentation of communication cutoff selection one more time · fe83e4de
  Axel Kohlmeyer authored Jul 25, 2019
  
  fe83e4de
- Small logic tweak · ab74bfef
  Stan Moore authored Jul 25, 2019
  
  ab74bfef
- Fix var name · 7c1fedff
  Stan Moore authored Jul 25, 2019
  
  7c1fedff
- Store if comm flags are changed by turning off CUDA-aware MPI so they can be... · 08178070
  Stan Moore authored Jul 25, 2019
  08178070
- Rename file · d0b442ac
  Stan Moore authored Jul 25, 2019
  
  d0b442ac
- Merge in suggestions from PR #1582 · df139bf3
  Stan Moore authored Jul 25, 2019
  
  df139bf3
Jul 25, 2019
- update comm_modify documentation · 183d92ca
  Axel Kohlmeyer authored Jul 25, 2019
  
  183d92ca
- adjust logic for choosing the communication cutoff to requests from @sjplimp · 4586fd50
  Axel Kohlmeyer authored Jul 25, 2019
  4586fd50
- add documentation for the need to respecify coeff commands for bonded table styles · 18730e0f
  Axel Kohlmeyer authored Jul 25, 2019
  
  18730e0f
- read/write settings in restart files for bonded hybrid styles · f86d2c99
  Axel Kohlmeyer authored Jul 25, 2019
  f86d2c99
- move global settings in restart files for table styles to restart settings functions · 5ca93e36
  Axel Kohlmeyer authored Jul 25, 2019
  
  5ca93e36
- add (empty) read/write_restart_settings() functions to bond/angle/dihedral/improper base classes · b1a54448
  Axel Kohlmeyer authored Jul 25, 2019
  
  b1a54448
- print warning, when explicitly specified communication cutoff is increased · d08477cc
  Axel Kohlmeyer authored Jul 24, 2019
  
  d08477cc
- refactor communication cutoff estimator. move it to Comm class. and adjust heuristics. · c098582d
  Axel Kohlmeyer authored Jul 24, 2019
  
  c098582d
- Fix variable name · afab7d99
  Stan Moore authored Jul 24, 2019
  
  afab7d99
- add half a bond length safety margin to bond length based cutoff estimates · 1d310ad7
  Axel Kohlmeyer authored Jul 24, 2019
  
  1d310ad7
- add documentation for warning added to comm styles · 20843f74
  Axel Kohlmeyer authored Jul 24, 2019
  
  20843f74
- add warning to Comm class against zero communication cutoff · be1522d1
  Axel Kohlmeyer authored Jul 24, 2019
  
  be1522d1
- include the bond length in communication cutoff considerations · 985c959a
  Axel Kohlmeyer authored Jul 24, 2019
  
  985c959a
- Update docs to change GPU-direct to CUDA-aware MPI · 4760cf86
  Stan Moore authored Jul 24, 2019
  
  4760cf86
- Change GPU-direct to CUDA-aware MPI and add workaround for IBM Spectrum MPI · 44002577
  Stan Moore authored Jul 24, 2019
  
  44002577
Jul 20, 2019
- Merge pull request #1574 from akohlmey/next_version · f4df5176
  Axel Kohlmeyer authored Jul 20, 2019
  View commits for tag patch_19Jul2019 patch_19Jul2019
  
  f4df5176
- Merge pull request #1571 from stanmoore1/kk_snap_opt · d52540ea
  Axel Kohlmeyer authored Jul 19, 2019
  d52540ea

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