Commits · v2.5.1 · Luca Bonfirraro / Pegamoid

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Jan 31, 2020
- Update to 2.5.1 · 197bf8ee
  Jellby authored Jan 31, 2020
  
  View commits for tag v2.5.1 v2.5.1
  
  197bf8ee
- Update tests for changes in OpenMolcas · 752c24fc
  Jellby authored Jan 31, 2020
  
  752c24fc
Jan 27, 2020
- Cache computed densities for later use · 8149f994
  Jellby authored Jan 27, 2020
  8149f994
- Action to hide MM atoms · 57070f41
  Jellby authored Jan 24, 2020
  
  57070f41
- Read atomic numbers if present and clip values · a256d967
  Jellby authored Jan 24, 2020
  
  a256d967
- Keyboard shortcut for spinless orbitals · 8b20e158
  Jellby authored Jan 24, 2020
  
  8b20e158
- Better support for Fortran-formatted floats · 43d12bfa
  Jellby authored Jan 24, 2020
  
  43d12bfa
- Some compatibility fixes · 95298eda
  Jellby authored Jan 24, 2020
  95298eda
Nov 18, 2019
- Update to 2.5 · 49211968
  Jellby authored Nov 18, 2019
  
  View commits for tag v2.5 v2.5
  
  49211968
Nov 15, 2019
- Show average alpha/beta orbitals, if there's SDM · f06a5a81
  Jellby authored Nov 15, 2019
  
  f06a5a81
Nov 12, 2019
- Compute alpha and beta orbitals for state and difference · c3260c97
  Jellby authored Nov 12, 2019
  
  c3260c97
Nov 11, 2019
- Add WFA sample · f9536903
  Jellby authored Oct 15, 2019
  
  f9536903
- Update samples · ec26ed7c
  Jellby authored Nov 11, 2019
  ec26ed7c
- Sticky irrep selection and per-irrep numbering · 57a02f06
  Jellby authored Nov 05, 2019
  
  57a02f06
- Add naphthalene sample · 7ad52a52
  Jellby authored Nov 04, 2019
  
  7ad52a52
Nov 05, 2019
- Workaround for VTK bug 17715 · fb3063f9
  Jellby authored Nov 04, 2019
  fb3063f9
- Support inter-symmetry TDMs from RASSI · 4c82b251
  Jellby authored Oct 23, 2019
  4c82b251
- Read density matrices from RASSI if available · 92e55ef6
  Jellby authored Oct 15, 2019
  
  92e55ef6
Oct 08, 2019
- Add option to sort orbital list · 5c2f8693
  Jellby authored Oct 08, 2019
  
  5c2f8693
Oct 04, 2019
- Support WFA orbitals · 7cef8c88
  Jellby authored Oct 04, 2019
  
  7cef8c88
Oct 03, 2019
- Transition density and electron count · ecf88c93
  Jellby authored Oct 03, 2019
  ecf88c93
- Rewrite passing of orbitals · dc01b161
  Jellby authored Oct 01, 2019
  dc01b161
Sep 12, 2019
- Fix writing of HDF5 and natural UHF orbitals · e5373197
  Jellby authored Sep 12, 2019
  View commits for tag v2.4.2 v2.4.2
  
  e5373197
Sep 06, 2019
- Fix some issues · b7a8f9d2
  Jellby authored Sep 06, 2019
  
  View commits for tag v2.4.1 v2.4.1
  
  b7a8f9d2
Aug 30, 2019
- Add changelog · 7a929a66
  Jellby authored Aug 30, 2019
  
  View commits for tag v2.4 v2.4
  
  7a929a66
- Detect singular matrices and correct clearance · 0e242653
  Jellby authored Aug 30, 2019
  
  0e242653
Aug 29, 2019
- Detect opening docks · 75d96140
  Jellby authored Aug 29, 2019
  75d96140
- Add auto align and fit box actions · be37e8ee
  Jellby authored Aug 29, 2019
  
  be37e8ee
- Support two filenames in command line · eb9c7f07
  Jellby authored Aug 29, 2019
  
  eb9c7f07
- Add QM/MM sample · cdd97047
  Jellby authored Aug 29, 2019
  
  cdd97047
Aug 28, 2019
- Add fit box button · b24bb5c8
  Jellby authored Aug 28, 2019
  
  b24bb5c8
- Add align button to transform dialog · 9faf9492
  Jellby authored Aug 26, 2019
  
  9faf9492
- Improve display of MM/dummy atoms · dfc44118
  Jellby authored Aug 26, 2019
  dfc44118
Aug 26, 2019
- Improve Molden file reading · b1d95c1e
  Jellby authored Aug 26, 2019
  b1d95c1e
Jul 25, 2019
- Update to version 2.3 · 9db0db7c
  Jellby authored Jul 25, 2019
  
  View commits for tag v2.3 v2.3
  
  9db0db7c
Jul 24, 2019
- Add transparency setting and further changes · 7586dbd6
  Jellby authored Jul 24, 2019
  
  7586dbd6
Jul 20, 2019
- Document and rearrange aoi shader code · 888e37b5
  Jellby authored Jul 20, 2019
  
  888e37b5
Jul 19, 2019
- Add invert colors button · 95fa791f
  Jellby authored Jul 19, 2019
  
  95fa791f
- Add custom mapper and Fresnel-like transparency · abacc585
  Jellby authored Jul 19, 2019
  
  abacc585
Jul 15, 2019
- Add collapse shortcut and fix specular color · 38924434
  Jellby authored Jul 15, 2019
  
  38924434