Integrals Abstract Types

[gustavojra]

Currently we have defined CCIntegrals which is a type that is passed into the code so we know which CC formulation is appropriated to handle that type of integrals.

Should this be generalized for all methods?

DF-MP2, DF-HF and DF-CC all depende on a DF structured to be passed on.

I think we should create an AbstractIntegral type, where struct (instances) of it can be DensityFitting or Conventional.

This being defined at higher level can lead to a clean up on the methods. Also, instead of having the integrals being handled at the HF part we should store the integrals inside the concrete Integral type.

Here's how it would work.

RHF is called as

RHF(AOIntegrals::Conventional)

RHF(AOIntegrals::DensityFitting)

etc...

So we need to pass integrals into the RHF module. Of course that we also create a simple function

RHF()
   #Use lints to create integral object, call it X
   RHF(X)
end

Thanks for comming to my tedtalk

Sorry this isnt an issue. I was looking for some place to start discussions and post ideas.