A step-by-step tutorial to code up the McMurchie-Davidson scheme to compute molecular integrals.
In the tutorial folder you can find the step-by-step guide as a Jupyter notebook, while in the src folder there is an almost one-to-one copy of the code parts only such that the program can be actually used in practice.
The code is written in a very clear, concise and neat way, at the price of being extremely slow. There is a perfect analogy between equations and concepts: nothing is obscure!