Define architecture & write header files

[k9cdt]

The markdown for architecture is a python code? or some C++ code without ;'s?

Shall we define private class members first before we write its functions?

[Nymphet]

in md file is just pseudo code, clearing things up now

[k9cdt]

Thanks for staying at post this late. gn

[Nymphet]

most glue functions are defined by now, will add classes later

the whole python defs are for the driver, we also need to include some interfaces written in C++

headers for C++ programs need to be added at last, since only then can we decide what to include

[Nymphet]

Most SCF & MP2 procedures are defined by now. For now we can simply use pre-calculated integrals to test the SCF procedure and the MP2 procedure (which is what the project required), and the only thing still missing is the integral calculation module.