Commits · 700f0420b54d40a1080f6948ba1a9c80a66c2698 · nomad-lab / pymolfile

17 Oct, 2017 1 commit
- Pack all functions under OpenMolfile · 700f0420
  Berk Onat authored Oct 17, 2017
  
  700f0420
13 Oct, 2017 1 commit
- OpenMolfile Class is added with trajectory and topology functions · 954ddf92
  Berk Onat authored Oct 13, 2017
  
  954ddf92
12 Oct, 2017 1 commit
- Initial code for upper-level python interface. · 59b6b410
  Berk Onat authored Oct 12, 2017
  
  59b6b410
11 Oct, 2017 2 commits
- Added plugin list · 77a9bcec
  Berk Onat authored Oct 11, 2017
  
  77a9bcec
- Cleaning only the python part of the package · 08510612
  Berk Onat authored Oct 11, 2017
  
  08510612
09 Oct, 2017 1 commit
- Now pymolfile read coordinates · f50aaa49
  Berk Onat authored Oct 09, 2017
  
  f50aaa49
06 Oct, 2017 1 commit
- Added bonds, angles, dihedrals · aed8364e
  Berk Onat authored Oct 06, 2017
  
  aed8364e
05 Oct, 2017 2 commits
- molfile_plugin libraries are compiled with GCC on MacOS · f2259af4
  Berk Onat authored Oct 05, 2017
  
  f2259af4
- Corrected read_structure numpy · 3b405c2e
  Berk Onat authored Oct 05, 2017
  
  3b405c2e
04 Oct, 2017 1 commit
- Changed C API Numpy library to directly access molfile structure data · 034da510
  Berk Onat authored Oct 04, 2017
  
  034da510
20 Sep, 2017 1 commit
- Added Numpy example wrapper for molfile_atom_t · 672baac3
  Berk Onat authored Sep 20, 2017
  
  672baac3
14 Sep, 2017 3 commits
- Add License to distribution · c013427c
  Berk Onat authored Sep 14, 2017
  
  c013427c
- Added test data · fe5b8df2
  Berk Onat authored Sep 14, 2017
  
  fe5b8df2
- Add libpymolfile.i SWIG file · f4390cb5
  Berk Onat authored Sep 14, 2017
  
  f4390cb5
08 Sep, 2017 2 commits
- Start over from f77_molfile interface · d15ddd33
  Berk Onat authored Sep 08, 2017
  
  d15ddd33
- Initial commit · f6ed12e9
  Berk Onat authored Sep 08, 2017
  
  f6ed12e9