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PythonCompphys

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Some python workbooks with various topics from Computational Physics

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# Python Compphys
Various simple Computational Physics topics handled in Python

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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](hartree-fock.ipynb) is for paragraphs and problems from Chapter 3 in [Computational Physics, by Jos Thijssen](https://www.cambridge.org/core/books/computational-physics/BEE73B0139D4A9993193B57CDC62096E#fndtn-information). See the notebook for details.

View it here if it's too big to show on GitHub: [Hartree-Fock notebook](https://nbviewer.org/github/aromanro/PythonCompphys/blob/master/hartree-fock.ipynb).

### Car-Parrinello

The [Car-Parrinello notebook](Car-Parrinello.ipynb) is for the Chapter 9 in [Computational Physics, by Jos Thijssen](https://www.cambridge.org/core/books/computational-physics/BEE73B0139D4A9993193B57CDC62096E#fndtn-information). See the notebook for details.
View it here if it's too big to show on GitHub: [Car-Parrinello notebook](https://nbviewer.org/github/aromanro/PythonCompphys/blob/master/Car-Parrinello.ipynb).
I also added some info on the blog: https://compphys.go.ro/car-parrinello-quantum-molecular-dynamics/

### Density Functional Theory

The [DFT notebook](dft.ipynb)
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](https://nbviewer.org/github/aromanro/PythonCompphys/blob/master/dft.ipynb).

### 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: [![Binder](https://mybinder.org/badge_logo.svg)](https://mybinder.org/v2/gh/aromanro/PythonCompphys/master)

PythonCompphys

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