Hey there, this looks like a really cool tool. I was wondering if it was possible to use this to check if molecules are quantum critical. And if not, if you could add this feature to the program.
Extended Huckel Method: https://en.wikipedia.org/wiki/Extended_H%C3%BCckel_method
Planning to do a research project similar to this: https://medium.com/the-physics-arxiv-blog/the-origin-of-life-and-the-hidden-role...