Commits · 6b7f4c500f9aedd49c8dd1496a6302e01266cd2d · 郑智淋 / lammps · GitLab

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Aug 30, 2020
- document changes to LAMMPS_POTENTIALS environment variable · 6b7f4c50
  Axel Kohlmeyer authored Aug 29, 2020
  
  6b7f4c50
- support that LAMMPS_POTENTIALS is a real path variable with multiple entries,... · 5a22f4d7
  Axel Kohlmeyer authored Aug 29, 2020
  5a22f4d7
- add utils::open_potential() function to utils namespace · 05ff3520
  Axel Kohlmeyer authored Aug 29, 2020
  
  05ff3520
- add tokenizer tests for splitting path environment variables · 7413dc78
  Axel Kohlmeyer authored Aug 29, 2020
  
  7413dc78
- add unit tests for utils::bounds() and utils::boundsbig() · 8601e608
  Axel Kohlmeyer authored Aug 29, 2020
  
  8601e608
- replace calls to force->*numeric() with the corresponding utils::*numeric() · 96d8d12a
  Axel Kohlmeyer authored Aug 29, 2020
  96d8d12a
- silence compiler warnings · 27b4e93b
  Axel Kohlmeyer authored Aug 29, 2020
  
  27b4e93b
- move Input::expand_args() to utils::expand_args() · 741a1d1f
  Axel Kohlmeyer authored Aug 29, 2020
  
  741a1d1f
- move Force::bounds() and Force::boundsbig() to utils. · fcd0b9f7
  Axel Kohlmeyer authored Aug 29, 2020
  
  fcd0b9f7
Aug 29, 2020
- Merge pull request #2318 from akohlmey/programmer-guide · 3be06474
  Axel Kohlmeyer authored Aug 28, 2020
  3be06474
- let dummy tests pass · 02ea7af1
  Axel Kohlmeyer authored Aug 28, 2020
  
  02ea7af1
- Merge branch 'master' into programmer-guide · 52f7f362
  Axel Kohlmeyer authored Aug 28, 2020
  
  52f7f362
- Merge pull request #2310 from lammps/library-refactor · 876c53a2
  Axel Kohlmeyer authored Aug 28, 2020
  876c53a2
- update utils namespace documentation including doxygen parts · 2a365c17
  Axel Kohlmeyer authored Aug 28, 2020
  
  2a365c17
- Add placeholders for future tests · cb098441
  Richard Berger authored Aug 28, 2020
  
  cb098441
- include documentation of utility functions in utils:: to developer guide · e64a977a
  Axel Kohlmeyer authored Aug 28, 2020
  
  e64a977a
- move modifying and extending LAMMPS section to programmer guide · a1bf772d
  Axel Kohlmeyer authored Aug 28, 2020
  
  a1bf772d
- port over more of the framework of the programmer guide and remove programming... · 8fcd7240
  Axel Kohlmeyer authored Aug 28, 2020
  8fcd7240
- update .gitignore for recent additions · 2e2763d0
  Axel Kohlmeyer authored Aug 28, 2020
  
  2e2763d0
- Fix typo · 17ec3a4f
  Richard Berger authored Aug 28, 2020
  
  17ec3a4f
- Add missing argtypes declarations in lammps.py · 9412d6f6
  Richard Berger authored Aug 28, 2020
  
  9412d6f6
- Merge pull request #2312 from akohlmey/developer-guide · ded65712
  Axel Kohlmeyer authored Aug 28, 2020
  ded65712
- Ensure LAMMPS pointer is of type c_void_p · 6bcc263b
  Richard Berger authored Aug 28, 2020
  6bcc263b
- Add missing argtypes for lammps_extract_global · caeb0af0
  Richard Berger authored Aug 28, 2020
  
  caeb0af0
- Add python test for extract_compute of peratom vector · 167f12a4
  Richard Berger authored Aug 28, 2020
  
  167f12a4
- update src/.gitignore for new files · e8cfa185
  Axel Kohlmeyer authored Aug 28, 2020
  
  e8cfa185
- Merge pull request #2314 from jrgissing/bond/react-RMSD_constraint · 899144c0
  Axel Kohlmeyer authored Aug 28, 2020
  899144c0
Aug 28, 2020
- a few more tweaks and spellcheck to make this ready for merging · 9f2eba98
  Axel Kohlmeyer authored Aug 28, 2020
  
  9f2eba98
- bond/react: make rmsd constraint lowercase · ef50a671
  Jacob Gissinger authored Aug 28, 2020
  
  ef50a671
- transfer the rest of the Developer guide and remove the .tex versions and references to it · f8495975
  Axel Kohlmeyer authored Aug 28, 2020
  
  f8495975
- Update math_eigen.h · 2686df37
  Jacob Gissinger authored Aug 28, 2020
  2686df37
- transfer of developer.tex almost complete · f0788bfe
  Axel Kohlmeyer authored Aug 28, 2020
  
  f0788bfe
- Merge pull request #2317 from evoyiatzis/patch-1 · e777badf
  Axel Kohlmeyer authored Aug 28, 2020
  e777badf
- removal of a few duplicated lines · d361f26c
  Evangelos Voyiatzis authored Aug 28, 2020
  d361f26c
- Merge pull request #2313 from ndtrung81/gpu-bugfix · b16746e4
  Axel Kohlmeyer authored Aug 27, 2020
  b16746e4
- Fixes segfault due to uninitialized pointers · 992b981c
  Richard Berger authored Aug 26, 2020
  
  992b981c
- update reference data for molecular test with pair style beck · b1cca2cf
  Axel Kohlmeyer authored Aug 27, 2020
  
  b1cca2cf
- add missing parenthesis · 46377431
  Axel Kohlmeyer authored Aug 27, 2020
  
  46377431
- Add missing lammps_extract_compute.argtypes · 9c84fe88
  Richard Berger authored Aug 27, 2020
  
  9c84fe88
- Start Python interface tests for numpy extensions · d7e2be1c
  Richard Berger authored Aug 27, 2020
  
  d7e2be1c

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