Commits · d611b85d7d0012abecf0ce77f3b8771df820fb68 · 郑智淋 / lammps · GitLab

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Sep 16, 2020
- Merge pull request #2360 from akohlmey/symbolic-atom-constants · d611b85d
  Axel Kohlmeyer authored Sep 15, 2020
  d611b85d
- Merge branch 'library-progguide' into symbolic-atom-constants · cf7d2109
  Axel Kohlmeyer authored Sep 15, 2020
  
  cf7d2109
- small tweaks · 4b25eb1a
  Axel Kohlmeyer authored Sep 15, 2020
  
  4b25eb1a
- the library interface is for calling from C, so switch nullptr in comments/docs back to NULL · 88cee4ff
  Axel Kohlmeyer authored Sep 15, 2020
  
  88cee4ff
- Merge branch 'master' into library-progguide · a3765eb7
  Axel Kohlmeyer authored Sep 15, 2020
  
  a3765eb7
- Merge branch 'master' into symbolic-atom-constants · 0f6a3477
  Axel Kohlmeyer authored Sep 15, 2020
  
  0f6a3477
- Merge pull request #2358 from eagunn/iss2345 · cebf6d33
  Axel Kohlmeyer authored Sep 15, 2020
  cebf6d33
- Merge pull request #2366 from akohlmey/msm-fix · f481a403
  Axel Kohlmeyer authored Sep 15, 2020
  f481a403
- Merge branch 'master' into symbolic-atom-constants · 618b08dc
  Axel Kohlmeyer authored Sep 15, 2020
  
  618b08dc
- 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
- update comments · baa49984
  Axel Kohlmeyer authored Sep 15, 2020
  
  baa49984
- Merge branch 'master' into iss2345 · 326d9f39
  Axel Kohlmeyer authored Sep 15, 2020
  
  326d9f39
- Merge branch 'iss2345' of github.com:eagunn/lammps into iss2345 · 5cbb54b8
  Axel Kohlmeyer authored Sep 15, 2020
  
  5cbb54b8
- 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
- start tests for lammps_extract_global() · bc31486f
  Axel Kohlmeyer authored Sep 15, 2020
  
  bc31486f
- 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

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