Commits · c6bc21febf0b2fb0cf2c93681001ca239e7228cd · 郑智淋 / lammps · GitLab

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Sep 15, 2020
- Merge pull request #2361 from akohlmey/collected-small-changes · c6bc21fe
  Axel Kohlmeyer authored Sep 15, 2020
  c6bc21fe
- detect if dt has been changed from default and print warning if reset by units command · 2f3c7321
  Axel Kohlmeyer authored Sep 15, 2020
  
  2f3c7321
- add false positive · df9f0e24
  Axel Kohlmeyer authored Sep 14, 2020
  
  df9f0e24
- correct formatting of examples · 5634dd43
  Axel Kohlmeyer authored Sep 14, 2020
  
  5634dd43
- fix for zstd support. add styles to list at top and document .zst extension requirement · f7071771
  Axel Kohlmeyer authored Sep 14, 2020
  
  f7071771
- Merge pull request #2354 from stanmoore1/qeq_refactor · 50b80e07
  Axel Kohlmeyer authored Sep 14, 2020
  50b80e07
Sep 14, 2020
- add missing option · a5740d75
  Axel Kohlmeyer authored Sep 14, 2020
  
  a5740d75
- tweak minimize summary output format · 3655919c
  Axel Kohlmeyer authored Sep 14, 2020
  
  3655919c
Sep 13, 2020
- fix typo · b702298e
  Axel Kohlmeyer authored Sep 12, 2020
  
  b702298e
- update formatting of keyword summary · da0cdb0d
  Axel Kohlmeyer authored Sep 12, 2020
  
  da0cdb0d
- update conventions and guidelines about C++ standard and requirements · eda04dac
  Axel Kohlmeyer authored Sep 12, 2020
  
  eda04dac
Sep 12, 2020
- add test for MSM kspace without periodic boundaries · 69962b4d
  Axel Kohlmeyer authored Sep 12, 2020
  
  69962b4d
- fix issue with local variable shadowing a global variable · 3368eb79
  Axel Kohlmeyer authored Sep 12, 2020
  
  3368eb79
- MSM output format tweaks · d7500c3e
  Axel Kohlmeyer authored Sep 12, 2020
  
  d7500c3e
- add check that shrinkwrap boundaries are not use when reading a data file... · 16d2fef5
  Axel Kohlmeyer authored Sep 12, 2020
  16d2fef5
- Update docs · 4a8d6016
  Stan Moore authored Sep 11, 2020
  
  4a8d6016
- make fix widom errors and test output consistent with the fix name capitalization · bc1b876a
  Axel Kohlmeyer authored Sep 11, 2020
  
  bc1b876a
- fix typo · 612f1d7c
  Axel Kohlmeyer authored Sep 11, 2020
  
  612f1d7c
Sep 11, 2020
- Merge pull request #2357 from akohlmey/lib-get-mpi-comm · 101d3914
  Axel Kohlmeyer authored Sep 11, 2020
  101d3914
- move test to avoid issues with indentation from having tabs follow directly a list-table · ded57ba7
  Axel Kohlmeyer authored Sep 10, 2020
  
  ded57ba7
- address spelling issue · 4452109b
  Axel Kohlmeyer authored Sep 10, 2020
  
  4452109b
- make "new in" and "changed in" leads boldface · 0d5f68bc
  Axel Kohlmeyer authored Sep 10, 2020
  
  0d5f68bc
- disable caching - for now - to avoid bad side effects from sphinx-tabs · 3d37fd05
  Axel Kohlmeyer authored Sep 10, 2020
  
  3d37fd05
Sep 10, 2020
- add minimal unit test for lammps_get_mpi_comm() API · e813e2d3
  Axel Kohlmeyer authored Sep 09, 2020
  
  e813e2d3
- add API to library/python interface to extract the MPI communicator · bd72ef79
  Axel Kohlmeyer authored Sep 09, 2020
  
  bd72ef79
- Merge pull request #2349 from akohlmey/more-progguide-updates · cdd9d693
  Axel Kohlmeyer authored Sep 09, 2020
  cdd9d693
- add a couple more versionadded directives · e238201b
  Axel Kohlmeyer authored Sep 09, 2020
  
  e238201b
Sep 09, 2020
- Merge pull request #2353 from junghans/cmake_clean_up · 790b2693
  Axel Kohlmeyer authored Sep 09, 2020
  790b2693
- Merge pull request #2340 from rbberger/container_update · a51bebc9
  Axel Kohlmeyer authored Sep 09, 2020
  a51bebc9
- adjust test to updated API · f4c4c623
  Axel Kohlmeyer authored Sep 09, 2020
  
  f4c4c623
- make "New in" and "Changed in" statements boldface to stand out more · 03d43bda
  Axel Kohlmeyer authored Sep 09, 2020
  
  03d43bda
- reformulate · 2b854ec6
  Axel Kohlmeyer authored Sep 09, 2020
  
  2b854ec6
- no need to use a deprecated argument in a newly added API · a1cf6c08
  Axel Kohlmeyer authored Sep 09, 2020
  
  a1cf6c08
- discuss change to get LAMMPS handle as return value instead of argument · 2a42fe66
  Axel Kohlmeyer authored Sep 09, 2020
  
  2a42fe66
- make vget()/vgot() inline functions again for optimal performance. · dad749b6
  Axel Kohlmeyer authored Sep 08, 2020
  
  dad749b6
- remove unwanted docs · c818a005
  Axel Kohlmeyer authored Sep 08, 2020
  
  c818a005
- swap order of classes in toctree · ea0a9f00
  Axel Kohlmeyer authored Sep 08, 2020
  
  ea0a9f00
- fix minor issues · ca1b5ed9
  Axel Kohlmeyer authored Sep 08, 2020
  
  ca1b5ed9
- split developer guide into multiple files · daf8a231
  Axel Kohlmeyer authored Sep 08, 2020
  
  daf8a231
- update/correct documentation for memory pool classes · ee25ed38
  Axel Kohlmeyer authored Sep 08, 2020
  
  ee25ed38

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