Commits · 876c53a27515d2df7031c483882e462f5efc0965 · 郑智淋 / lammps · GitLab

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Aug 29, 2020
- Merge pull request #2310 from lammps/library-refactor · 876c53a2
  Axel Kohlmeyer authored Aug 28, 2020
  876c53a2
- Add placeholders for future tests · cb098441
  Richard Berger authored Aug 28, 2020
  
  cb098441
- 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
- Add extract_compute, extract_fix, and extract_variable to lammps.numpy · 0b8136a3
  Richard Berger authored Aug 27, 2020
  
  0b8136a3
- Fix typo · a216d3f5
  Richard Berger authored Aug 27, 2020
  
  a216d3f5
- Use datatype constants instead of magic numbers · 26d09ea6
  Richard Berger authored Aug 27, 2020
  
  26d09ea6
- use consistent style when referencing packages · b1fae047
  Axel Kohlmeyer authored Aug 27, 2020
  
  b1fae047
- document the behavior of the gauss pair style to ignore special bond factors · 7b4891a9
  Axel Kohlmeyer authored Aug 27, 2020
  
  7b4891a9
- add atomic test for gauss pair style · fa13e23f
  Axel Kohlmeyer authored Aug 27, 2020
  
  fa13e23f
- revert "fix" for pair style beck/gpu and correct beck and beck/omp instead · fdb72662
  Axel Kohlmeyer authored Aug 27, 2020
  fdb72662
- Merge branch 'master' into gpu-bugfix · a4f1be8f
  Axel Kohlmeyer authored Aug 27, 2020
  
  a4f1be8f
- Merge pull request #2315 from lammps/peri-doc-page · a54f99f7
  Axel Kohlmeyer authored Aug 27, 2020
  a54f99f7
- two typos on pair peri doc page · de4bf777
  Steve Plimpton authored Aug 27, 2020
  
  de4bf777
- minor doc clarification · 32aede77
  Jacob Gissinger authored Aug 27, 2020
  
  32aede77
- bond/react: RMSD, remove debugging statements · ab90493e
  Jacob Gissinger authored Aug 27, 2020
  
  ab90493e
- Rename LAMMPS_DBLE2D to LAMMPS_DOUBLE2D · 0d8baff7
  Richard Berger authored Aug 27, 2020
  
  0d8baff7
- namespace clarify · 5c0edeb6
  Jacob Gissinger authored Aug 27, 2020
  
  5c0edeb6
- add separators · 977a89e5
  Axel Kohlmeyer authored Aug 27, 2020
  
  977a89e5
- return of the lost enum · 794e74e0
  Jacob Gissinger authored Aug 27, 2020
  
  794e74e0

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