With the QTAIM code up as a PR ready for review, I spent most of the time today trying to add a few more tests for Bader’s QTAIM code and writing up a first draft of docs for the new code.

Basically, I’ve added 1) a test that compares the total Bader charges to the total number of electrons in HF and 2) a test that compares the charges assigned to carbon atoms in benzene.

For the docs, I have added something similar to the existing documentations for other charge methods. It might be a good idea to add some more explanation about the numerical algorithm that I used and I may add it tomorrow or the day after tomorrow depending on how the PR reviews and further fixes go.