[cclib-devel] orbitals for correlated methods

[Karol L. <kar...@kn...>]

At some point I'd like cclib to also parse the MO eigenvectors for correlated 
methods - natural orbitals from MP2 or CI, and optimized orbitals after MCSCF 
calcualtions. They all have the format of mocoeffs, with different values. 
I'd like to have your opinion - should these be parsed into the same 
attribute as the SCF MOs (mocoeffs) or into a new one (mpcoeffs?)?

-- 
written by Karol Langner
Thu Jul 12 11:40:45 EDT 2007