[cclib-devel] etenergies

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

I'd like to open a little discussion about parsing excited states. I uploaded 
a CIS job and am wondering on how the parsing of excited states should look 
like in cclib. Should etenergies (and the other etxxx attributes) pick up 
excited states from any kind of calculation - TDHF, CI, etc.? Or should there 
be separate attributes for the different kinds of calculations. The question 
is similiar to the one we had earlier - having mpenergies and ccenergies 
versus one attribute for correlated energies.

Karol

-- 
written by Karol Langner
Sun Mar  4 15:18:52 CET 2007