Commits · 326d9f398c449ff6ef97019e3b57af8eca00ae91 · 郑智淋 / lammps · GitLab

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Sep 16, 2020
- 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
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 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
- Revert commit 14dfd387 which walked-back · 6315b277
  Anne Gunn authored Sep 14, 2020
  6315b277
- Revert commit 05d41cd5 which walked-back · 430d1516
  Anne Gunn authored Sep 14, 2020
  430d1516
- fix up some comments · 58a17532
  Axel Kohlmeyer authored Sep 12, 2020
  
  58a17532
- update molfile plugin headers with latest versions from VMD · ec1fe4e4
  Axel Kohlmeyer authored Sep 12, 2020
  
  ec1fe4e4
- T2345: After examining comments changed by batch conversion of NULL · a57a5c76
  Anne Gunn authored Sep 12, 2020
  a57a5c76
- T2345: Walking back nullptr changes in #defines in STUBS/mpi.h · 96f0e7e0
  Anne Gunn authored Sep 11, 2020
  
  96f0e7e0
- T2345: Walking back nullptr changes to lib/awpmd · 96b01f23
  Anne Gunn authored Sep 11, 2020
  
  96b01f23
- T2345: Replace instances of NULL with nullptr · ed57554e
  Anne Gunn authored Sep 11, 2020
  ed57554e
- T2345: Replace instances of NULL with nullptr · f524fa75
  Anne Gunn authored Sep 11, 2020
  f524fa75
- Manually resolve two rebase conflicts. · 9a5d8fd1
  Anne Gunn authored Sep 11, 2020
  
  9a5d8fd1
- 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

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