Commits · f481a403bcdbb96f67970fc18bc8b199f8e0028b · 郑智淋 / lammps · GitLab

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Sep 16, 2020
- Merge pull request #2366 from akohlmey/msm-fix · f481a403
  Axel Kohlmeyer authored Sep 15, 2020
  f481a403
- redo fix for class member shadowing while avoiding overflowing levels · 3dd3c6a2
  Axel Kohlmeyer authored Sep 15, 2020
  
  3dd3c6a2
- Revert "fix issue with local variable shadowing a global variable" · 16749566
  Axel Kohlmeyer authored Sep 15, 2020
  16749566
- Merge pull request #2363 from akohlmey/consistent-memory-usage · 2165f6ed
  Axel Kohlmeyer authored Sep 15, 2020
  2165f6ed
- Merge pull request #2364 from akohlmey/force-test-bugfix · b5832191
  Axel Kohlmeyer authored Sep 15, 2020
  b5832191
- reformulate · 5da50d64
  Axel Kohlmeyer authored Sep 15, 2020
  
  5da50d64
- add unit test for lammps_memory_usage() · 2f3c916a
  Axel Kohlmeyer authored Sep 15, 2020
  
  2f3c916a
- 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 test for missing quartic bond style · e3086443
  Axel Kohlmeyer authored Sep 15, 2020
  
  e3086443
- don't update per-atom pair data if not available · 27941088
  Axel Kohlmeyer authored Sep 15, 2020
  
  27941088
- update epsilon · 238730b1
  Axel Kohlmeyer authored Sep 15, 2020
  
  238730b1
- fix bug in input script templates that would have the timestep setting... · c6b6369d
  Axel Kohlmeyer authored Sep 15, 2020
  c6b6369d
- 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

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