Commits · 669980388a00c9ee4e35bc6f644e5fdb2018b002 · 郑智淋 / lammps · GitLab

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Jan 25, 2020
- Merge branch 'fft' of ssh://github.com/stanmoore1/lammps into fft · 66998038
  Stan Moore authored Jan 24, 2020
  
  66998038
- Add check for FFT_FFTW_THREADS and turn off MKL threads for now · 76aaf16c
  Stan Moore authored Jan 24, 2020
  
  76aaf16c
- Add cuFFT to Makefile.lassen_kokkos and generalize MPI path · e9d4823d
  Stan Moore authored Jan 24, 2020
  
  e9d4823d
Jan 23, 2020
- correct KOKKOS FFT output for CMake summary one more time · f14b200b
  Axel Kohlmeyer authored Jan 23, 2020
  
  f14b200b
- Merge branch 'master' into fft · df23460e
  Axel Kohlmeyer authored Jan 23, 2020
  df23460e
- Merge pull request #1853 from akohlmey/collected-small-changes · 30444b34
  Axel Kohlmeyer authored Jan 22, 2020
  30444b34
- Merge pull request #1852 from vklip/bugfix-gjf · 8096a783
  Axel Kohlmeyer authored Jan 22, 2020
  8096a783
- Merge pull request #1811 from brycelelbach/bug/missing_execution_space_qualifiers · 949d7608
  Axel Kohlmeyer authored Jan 22, 2020
  949d7608
- update KOKKOS FFT status message in CMake summary · c126df4f
  Axel Kohlmeyer authored Jan 22, 2020
  
  c126df4f
- fix typo, update maintainer. · 5488efbc
  Axel Kohlmeyer authored Jan 22, 2020
  
  5488efbc
- add -DFFT_CUFFT for KOKKOS only when KISSFFT is not selected · 53554fdb
  Axel Kohlmeyer authored Jan 22, 2020
  
  53554fdb
- include "pppm.h" last so that necessary KOKKOS config define is available · 70731468
  Axel Kohlmeyer authored Jan 22, 2020
  
  70731468
- Merge pull request #603 from jrgissing/Ncreate_atoms · 9d064308
  Axel Kohlmeyer authored Jan 22, 2020
  9d064308
- undo accidental edit of KOKKOS cuda mpi makefile · 61ddf9bc
  Axel Kohlmeyer authored Jan 22, 2020
  
  61ddf9bc
- add missing #endif · 70b9a060
  Axel Kohlmeyer authored Jan 22, 2020
  
  70b9a060
- Merge branch 'master' into fft · 9a27aa4e
  Axel Kohlmeyer authored Jan 22, 2020
  9a27aa4e
- fix up LMP_FFT_LIB for reporting FFT lib in use for KOKKOS with CUDA logic · dfda8b5c
  Axel Kohlmeyer authored Jan 22, 2020
  
  dfda8b5c
- import template atom ID check from PR #1822 · 40e0e78a
  Axel Kohlmeyer authored Jan 22, 2020
  
  40e0e78a
- add call to KSpace::two_charge() that was overlooked · bb024bc0
  Axel Kohlmeyer authored Jan 22, 2020
  
  bb024bc0
- move memory allocation for atom style variable data where it belongs and cannot be skipped · 48cae270
  Axel Kohlmeyer authored Jan 22, 2020
  48cae270
- remove redundant initializers · cc81dc20
  Axel Kohlmeyer authored Jan 22, 2020
  
  cc81dc20
- repair incorrect conversions on [*] expressions by txt2rst · 8a1f893b
  Axel Kohlmeyer authored Jan 22, 2020
  
  8a1f893b
- fix whitespace issue · 37e8195b
  Axel Kohlmeyer authored Jan 22, 2020
  
  37e8195b
- avoid segfault · a87c7a4a
  Axel Kohlmeyer authored Jan 22, 2020
  
  a87c7a4a
- Merge pull request #1850 from lammps/kspace-bugfix · 64a4bf6a
  Axel Kohlmeyer authored Jan 22, 2020
  64a4bf6a
- fix small bug in pair style extep · 0623859f
  Axel Kohlmeyer authored Jan 22, 2020
  
  0623859f
- Add unit conversion in setup() · 0ae40c59
  Viktor Klippenstein authored Jan 22, 2020
  
  0ae40c59
Jan 22, 2020
- capitalize comment · ac143dbd
  Steve Plimpton authored Jan 21, 2020
  
  ac143dbd
- make comment string consistent · 11f687c1
  Steve Plimpton authored Jan 21, 2020
  
  11f687c1
- move two_charge_force calc to occur at init, not constructor · b29ffabe
  Steve Plimpton authored Jan 21, 2020
  
  b29ffabe
- add new error/warning messages to documentation · f7dc70a9
  Axel Kohlmeyer authored Jan 21, 2020
  
  f7dc70a9
- Merge remote-tracking branch 'github/master' into Ncreate_atoms · a6f59a86
  Axel Kohlmeyer authored Jan 21, 2020
  a6f59a86
- remove trailing whitespace · 646dc833
  Axel Kohlmeyer authored Jan 21, 2020
  
  646dc833
- Merge pull request #1845 from akohlmey/collected-small-changes · 7728c506
  Axel Kohlmeyer authored Jan 21, 2020
  7728c506
- add Jake's name as contributor · d83cf8e4
  Steve Plimpton authored Jan 21, 2020
  
  d83cf8e4
- modified versions of creating atoms on subset of lattice, ditto for set type/fraction · 90ff2eb6
  Steve Plimpton authored Jan 21, 2020
  
  90ff2eb6
- Merge branch 'master' into nparticles · 4ea679dd
  Steve Plimpton authored Jan 21, 2020
  
  4ea679dd
- update sphinx extension to automatically pad lists to fill tables and avoid... · 405eb63a
  Axel Kohlmeyer authored Jan 21, 2020
  405eb63a
Jan 21, 2020
- fix minor issues with docs · 3db920b8
  Axel Kohlmeyer authored Jan 20, 2020
  
  3db920b8
- Merge branch 'master' into collected-small-changes · 12de1762
  Axel Kohlmeyer authored Jan 20, 2020
  12de1762

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