[cclib-devel] atombasis in ADF

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

I added a code snippet that parses the atom indices of BAS functions into 
atombasis. That is probably not what is needed, though, since the MOs in ADf 
are built from SFOs. Since SFOs can in general involve many atoms, I'm not 
sure how this should be parsed?

- Karol

-- 
written by Karol Langner
Wed Jun 13 13:02:29 CEST 2007