Commits · 0.0.5 · nomad-lab / parser-amber · GitLab

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Jul 28, 2017
- Fix autotests · 206894f1
  Berk Onat authored 7 years ago
  
  View commits for tag 0.0.5 0.0.5
  
  206894f1
- Fixed typo in test file names · 64e304d3
  Berk Onat authored 7 years ago
  
  View commits for tag 0.0.4 0.0.4
  
  64e304d3
- Fix: do not add section_system if there are no topology or trajectory files · c575b5a2
  Berk Onat authored 7 years ago
  
  View commits for tag 0.0.3 0.0.3
  
  c575b5a2
Jul 27, 2017
- Fixed NoneType issue at trajectory_reader for MDtraj support · 2aebb6ed
  Berk Onat authored 7 years ago
  
  View commits for tag 0.0.2 0.0.2
  
  2aebb6ed
Jul 21, 2017
- added support to read trajectory without topology file for netcdf files · 187971cb
  Berk Onat authored 7 years ago
  
  View commits for tag 0.0.1 0.0.1
  
  187971cb
- Added missing topology files to examples · e613fc13
  Berk Onat authored 7 years ago
  
  e613fc13
- Added tag to repo · 48777d36
  Berk Onat authored 7 years ago
  
  View commits for tag 0.0.0 0.0.0
  
  48777d36
- Modifications for None and numpy passes at Dictionaries and MetaInfoStorage · 46558b8d
  Berk Onat authored 7 years ago
  
  46558b8d
Jul 20, 2017
- Corrected Scale typo in tests · 6f5cedbd
  Berk Onat authored 7 years ago
  
  6f5cedbd
- Add AMBER to Scala main and test routines · 1e2c16c9
  Berk Onat authored 7 years ago
  
  1e2c16c9
Jul 19, 2017
- Modified iread generator of trajectory_reader to supply lattice vectors. · 0a09b531
  Berk Onat authored 7 years ago
  
  0a09b531
- Corrected the example · fbca764d
  Berk Onat authored 7 years ago
  
  fbca764d
- Corrected convertUnits and add support to handle numpy arrays · 2492c8cf
  Berk Onat authored 7 years ago
  
  2492c8cf
- Removed unnecessary comments in SMs · 0e6743c8
  Berk Onat authored 7 years ago
  
  0e6743c8
- Clean codes from unnecessary comments · b23cc99a
  Berk Onat authored 7 years ago
  
  b23cc99a
- Correction for listing at interaction_type and atom_type definitions. · 1f01ce9e
  Berk Onat authored 7 years ago
  
  1f01ce9e
Jul 18, 2017
- Merge branch 'master' of gitlab.mpcdf.mpg.de:nomad-lab/parser-amber · 4a891d98
  Berk Onat authored 7 years ago
  
  Added dictionary support for unit convertion
  4a891d98
- Added dictionary support for unit convertion · ef632322
  Berk Onat authored 7 years ago
  
  ef632322
- Update README.md · 651126da
  Berk Onat authored 7 years ago
  
  651126da
- Update README.md · 2b4073c8
  Berk Onat authored 7 years ago
  
  2b4073c8
- Corrected a typo in x_amber metainfo · 8ab0c666
  Berk Onat authored 7 years ago
  
  8ab0c666
Jul 14, 2017
- Comments are formated · 08d245f5
  Berk Onat authored 7 years ago
  
  08d245f5
- Flow of the section open/closes corrected with topology/system addition · f8317c70
  Berk Onat authored 7 years ago
  
  f8317c70
Jul 12, 2017
- Data of frame_sequence and single_conf_calc sections are generated in correct order. · 8cc4a62c
  Berk Onat authored 7 years ago
  
  8cc4a62c
Jul 11, 2017
- Corrected MapDictionary/MetaInfoStorage behaviour on Meta Name (matchStr) conversion. · 488d0409
  Berk Onat authored 7 years ago
  
  488d0409
- Solved issue at dictionary evaluate at MetaInfoStorage · a2af5dc8
  Berk Onat authored 7 years ago
  
  a2af5dc8
Jul 10, 2017
- Added Python evaluation function to Dictionary · 9cc47a46
  Berk Onat authored 7 years ago
  
  9cc47a46
- Added value, subfunction and unitconverter support in MetaInfoStorage · f931230c
  Berk Onat authored 7 years ago
  
  f931230c
- Modified MetaInfoStorage and Amber Dictionary definitions · 1c23ec82
  Berk Onat authored 7 years ago
  
  1c23ec82
Jul 07, 2017
- Added installation hints for NOMAD infrastructure · cddd9832
  Berk Onat authored 7 years ago
  
  cddd9832
- Modified definitions for the examples · a56fdec9
  Berk Onat authored 7 years ago
  
  a56fdec9
- Initial Commit · f19f22b1
  Berk Onat authored 7 years ago
  
  f19f22b1
- Initial Commit · fa1bda3d
  Berk Onat authored 7 years ago
  
  fa1bda3d
- Initial Commit · 2568b4ff
  Berk Onat authored 7 years ago
  
  2568b4ff
- Initial Commit · 64abd69f
  Berk Onat authored 7 years ago
  
  64abd69f
- Initial Commit · c5deb02d
  Berk Onat authored 7 years ago
  
  c5deb02d