Python Compphys

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)

Hartree-Fock

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

View it here if it's too big to show on GitHub: Hartree-Fock notebook.

Car-Parrinello

The Car-Parrinello notebook is for the Chapter 9 in Computational Physics, by Jos Thijssen. See the notebook for details. View it here if it's too big to show on GitHub: Car-Parrinello notebook. I also added some info on the blog: https://compphys.go.ro/car-parrinello-quantum-molecular-dynamics/

Density Functional Theory

The DFT notebook Covers the assignments of Thomas Arias lectures. You should not start it in Binder, as computations can take a long time. View it here if it's too big to show on GitHub: DFT notebook.

Python scripts

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: