Hello Avogadro community! I've been working on implementing some extended Huckel theory calculations into Avogadro through YAeHMOP. It's pretty exciting what you can do with it!
I've mostly been implementing band structures, but I'm moving to density of states next. Molecular orbitals should come along sometime sooner or later as well. I link a ~14 min video here where I demonstrate (with verbal commentary) a band structure calculation for diamond using YAeHMOP. If anyone has a better idea for implementing some of the GUI, you can let me know. Here is the link! https://drive.google.com/open?id=0B0keOob3eAJgVGJOTEdfTEF5UXc Like I mention in the video. I should be adding other features soon. Let me know if you have any feedback. Thanks, Patrick
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