The Bootcamp of the Ghent Quantum Chemistry Group, aimed at achieving the initial competences needed in order to be able to contribute to our electronic structure method development group.
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Update local.md with extra info for windows users, edit RHF notebook theory. #43
@xdvriend I added the necessary theory sections regarding the orthogonalisation scheme and removed any mention of scipy.
I also changed the way the A matrix was constructed (since this was done using psi4 in the computational QC course) and tested the new code by using the newly constructed A matrix to diagonalise S. (Test was not added in final commit to ensure the students find it for themselves)
@xdvriend I added the necessary theory sections regarding the orthogonalisation scheme and removed any mention of scipy.
I also changed the way the A matrix was constructed (since this was done using psi4 in the computational QC course) and tested the new code by using the newly constructed A matrix to diagonalise S. (Test was not added in final commit to ensure the students find it for themselves)