arkajitmandal/ExtendedHuckel

Issues

• Add the option to change molecular charge

  #7 opened 5 years ago by arkajitmandal
  1

• Make Isosurfaces

  #6 opened 5 years ago by arkajitmandal
  1

• IR Spectrum

  #5 opened 5 years ago by arkajitmandal
  1

• Diagonalization needs to be changed!

  #2 opened 5 years ago by arkajitmandal
  2

• Nuclear Repulsion

  #3 opened 5 years ago by arkajitmandal
  1

• Add a dropdown List of common molecules

  #4 opened 5 years ago by arkajitmandal
  0

• HOMO LUMO not proper for degenerate levels

  #1 opened 6 years ago by arkajitmandal
  1