Commits · 35764642682178891f022f46ffa26f393d634d37 · 郑智淋 / lammps · GitLab - 南方科技大学

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Sep 16, 2020
- Merge branch 'master' into consistent-memory-usage · 35764642
  Axel Kohlmeyer authored Sep 15, 2020
  
  35764642
Sep 15, 2020
- Merge pull request #2362 from akohlmey/library-progguide · 16544400
  Axel Kohlmeyer authored Sep 15, 2020
  16544400
- 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 library interface to retrieve memory usage info · bb76215e
  Axel Kohlmeyer authored Sep 15, 2020
  
  bb76215e
- consolidate memory allocation information into a single function (in Info) · 4b64be77
  Axel Kohlmeyer authored Sep 15, 2020
  
  4b64be77
- consistently return "memory_usage" as double. · 0183e999
  Axel Kohlmeyer authored Sep 14, 2020
  
  0183e999
- add cross reference · 39681acf
  Axel Kohlmeyer authored Sep 14, 2020
  
  39681acf
- test lammps_extract_settings() · d27d4912
  Axel Kohlmeyer authored Sep 14, 2020
  
  d27d4912
- complete tests for extracting and resetting the box · 1e54a9fc
  Axel Kohlmeyer authored Sep 14, 2020
  
  1e54a9fc
- make naming more consistent · 5c7f6720
  Axel Kohlmeyer authored Sep 14, 2020
  
  5c7f6720
- fix typo · 93bd851a
  Axel Kohlmeyer authored Sep 14, 2020
  
  93bd851a
- add false positive · df9f0e24
  Axel Kohlmeyer authored Sep 14, 2020
  
  df9f0e24
- correct formatting of examples · 5634dd43
  Axel Kohlmeyer authored Sep 14, 2020
  
  5634dd43
- update lammps config settings calls example · b1e0990c
  Axel Kohlmeyer authored Sep 14, 2020
  
  b1e0990c
- fix for zstd support. add styles to list at top and document .zst extension requirement · f7071771
  Axel Kohlmeyer authored Sep 14, 2020
  
  f7071771
- test for exceptions add example · a1b2f821
  Axel Kohlmeyer authored Sep 14, 2020
  
  a1b2f821
- complete testing for LAMMPS configuration queries · 4185608e
  Axel Kohlmeyer authored Sep 14, 2020
  
  4185608e
- more tests for properties and configuration · b4558124
  Axel Kohlmeyer authored Sep 14, 2020
  
  b4558124
- cosmetic · f5e98045
  Axel Kohlmeyer authored Sep 14, 2020
  
  f5e98045
- Merge pull request #2354 from stanmoore1/qeq_refactor · 50b80e07
  Axel Kohlmeyer authored Sep 14, 2020
  50b80e07
- update prototype to allow constant strings · ac040dc8
  Axel Kohlmeyer authored Sep 14, 2020
  
  ac040dc8
- add tests for lammps configuration introspection via library interface · f4601235
  Axel Kohlmeyer authored Sep 14, 2020
  
  f4601235
- fix bug in lammps_has_style() · 155e7de8
  Axel Kohlmeyer authored Sep 14, 2020
  
  155e7de8
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
- take back too eager change · cc86214f
  Axel Kohlmeyer authored Sep 13, 2020
  
  cc86214f
- skip test if atom style is missing · 2438f38a
  Axel Kohlmeyer authored Sep 13, 2020
  
  2438f38a
- use more const char pointers · 96a5585d
  Axel Kohlmeyer authored Sep 13, 2020
  
  96a5585d
- update c-library tests · a2fc33b4
  Axel Kohlmeyer authored Sep 13, 2020
  
  a2fc33b4
- add properties example · de49325c
  Axel Kohlmeyer authored Sep 13, 2020
  
  de49325c
- import adapted example input deck · fcb38354
  Axel Kohlmeyer authored Sep 13, 2020
  
  fcb38354
- use common main function that allows handling of common command line flags. · 39255da6
  Axel Kohlmeyer authored Sep 13, 2020
  
  39255da6
- make char * argument of lammps_get_thermo() const · 5a062359
  Axel Kohlmeyer authored Sep 13, 2020
  
  5a062359
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

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