Commits · master · Oskar Weser / Pegamoid

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Mar 29, 2018
- Add attachment/detachment densities · 6634cf7b
  Jellby authored Mar 29, 2018
  
  6634cf7b
Mar 28, 2018
- Support for transition density matrices · d0a7c04f
  Jellby authored Mar 28, 2018
  
  d0a7c04f
- Clear orbitals and density matrix when loading InpOrb · d8641051
  Jellby authored Mar 28, 2018
  
  d8641051
Mar 24, 2018
- Add density type selection · 4813091a
  Jellby authored Mar 24, 2018
  4813091a
- Change the occupations "locally" · df8afb93
  Jellby authored Mar 24, 2018
  df8afb93
- Set orbital type according to mixing · 2534900a
  Jellby authored Mar 24, 2018
  2534900a
Mar 22, 2018
- Improve reading of InpOrb files · 58593720
  Jellby authored Mar 22, 2018
  58593720
Mar 07, 2018
- Fix type · b5693dea
  Jellby authored Mar 07, 2018
  
  b5693dea
- Add Save PNG option · 1db302d7
  Jellby authored Mar 07, 2018
  
  1db302d7
Mar 05, 2018
- Fix import · 8d015a2d
  Jellby authored Mar 05, 2018
  
  8d015a2d
- Support PySide (through qtpy) · 133a3647
  Jellby authored Mar 05, 2018
  
  133a3647
Feb 27, 2018
- Check number of basis functions · 8153eef5
  Jellby authored Feb 27, 2018
  8153eef5
Feb 19, 2018
- Fix writing of orbitals with symmetry · 76a22d9f
  Jellby authored Feb 19, 2018
  76a22d9f
Feb 15, 2018
- Several fixes and improvements · 3ccc9fa5
  Jellby authored Feb 15, 2018
  3ccc9fa5
Feb 12, 2018
- Fix natural orbitals · 95e0af61
  Jellby authored Feb 12, 2018
  95e0af61
- Add view menu and support for several roots, bug fixes · 70d98f59
  Jellby authored Feb 12, 2018
  
  70d98f59
Feb 07, 2018
- Version 2.0beta · c33f7113
  Jellby authored Feb 07, 2018
  c33f7113
Feb 05, 2018
- Add opacity, fix Laplacian and compatibility · d9b33933
  Jellby authored Feb 05, 2018
  
  d9b33933
Jan 05, 2018
- Add numerical Laplacian · dcd34110
  Jellby authored Jan 05, 2018
  
  dcd34110
Jan 03, 2018
- Add atom labels · 8fb6f0da
  Jellby authored Jan 03, 2018
  
  8fb6f0da
- Support for non-aligned grids · 7b2feb11
  Jellby authored Jan 03, 2018
  
  7b2feb11
- Initial commit · 7fcb9365
  Jellby authored Jan 03, 2018
  
  7fcb9365
- Add license · c5744067
  Jellby authored Jan 03, 2018
  
  c5744067