Commits · 9427fc50a53cfe5b5754c4f27ddd5d58874e130b · 郑智淋 / lammps · GitLab

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Jan 29, 2020
- Update Colvars library to version 2020-01-27 · 9427fc50
  Giacomo Fiorin authored Jan 27, 2020
  9427fc50
Jan 28, 2020
- Merge pull request #1855 from akohlmey/remove-txt-files · 5eef3b18
  Axel Kohlmeyer authored Jan 27, 2020
  5eef3b18
Jan 25, 2020
- Merge branch 'master' into remove-txt-files · ec381964
  Axel Kohlmeyer authored Jan 24, 2020
  ec381964
- Merge pull request #1854 from akohlmey/next_patch_release · 4134d7fd
  Axel Kohlmeyer authored Jan 24, 2020
  View commits for tag patch_24Jan2020 patch_24Jan2020
  
  4134d7fd
- Merge pull request #1520 from stanmoore1/fft · da35840c
  Axel Kohlmeyer authored Jan 24, 2020
  da35840c
- Small clarification to kspace_style.rst · 9d333c35
  Stan Moore authored Jan 24, 2020
  
  9d333c35
- 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
- correct malformed tables · 0302c0ba
  Axel Kohlmeyer authored Jan 24, 2020
  
  0302c0ba
- add mpi4py url and expand/update the python with MPI introduction · c9cc13c2
  Axel Kohlmeyer authored Jan 24, 2020
  
  c9cc13c2
Jan 24, 2020
- remove automatic translation of .txt to .rst and references to txt folder · fa4d9ff0
  Axel Kohlmeyer authored Jan 23, 2020
  
  fa4d9ff0
- remove .txt doc sources · daa5efe1
  Axel Kohlmeyer authored Jan 23, 2020
  
  daa5efe1
- remove backslash escapes for underscore in doc references · 72d8bea4
  Axel Kohlmeyer authored Jan 23, 2020
  
  72d8bea4
- update version string for the next patch release · cb5138a3
  Axel Kohlmeyer authored Jan 23, 2020
  
  cb5138a3
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
- expand explanations about setting the python version for the python wrapper · 958b8d96
  Axel Kohlmeyer authored Jan 23, 2020
  
  958b8d96
- fix issue with standalone anchor_check · 204fb6f7
  Axel Kohlmeyer authored Jan 22, 2020
  
  204fb6f7
- 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

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