Various simple Computational Physics topics handled in Python

Some tutorials on various topics, using python instead of C++, with more comments and on easier things that those from the C++ projects, with very little focus on performance. For example they might contain programs/problems from the Jos Thijjsen's Computational Physics book or something similar.

Some of them will be described on https://compphys.go.ro, some of them only here (with comments in notebooks, too)

The Hartree-Fock notebook is for paragraphs and problems from Chapter 3 in Computational Physics, by Jos Thijssen. See the notebook for details.

The Car-Parrinello notebook is for the Chapter 9 in Computational Physics, by Jos Thijssen. See the notebook for details. I also added some info on the blog: https://compphys.go.ro/car-parrinello-quantum-molecular-dynamics/

The DFT notebook It's work in progress, hopefully it will cover the assignments of Thomas Arias lectures. For now, you'll find in there all assignments, except the last part from the last one, which requires variable fillings and computing the isolated Ge atom. It's not a big deal, hopefully I'll add it soon along with some comments.

I added py files exported (with slight changes) from the notebooks. They are here for convenience, they might not even be in sync with the notebooks.

Run in Binder: