Re: [cclib-devel] ADF output error again

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

On Wednesday 28 of March 2007 02:51, Adam Tenderholt wrote:
> I've uploaded a new Au2 logfile to the website, but I couldn't put it
> in the ADF2006.01 directory because I didn't have permissions (Noel,
> can you take care of this and regressionfiles.txt). I removed the
> keyword that prints the CF moceoffs and it now finishes correctly. A
> Mulliken analysis using PyMOlyze gives approximately the same LUMO
> composition as is printed in the logfile (there are always slight
> differences since ADF doesn't print every contribution), so
> everything should be ok.

So the question is how we should handle the core functions - just skip them?

-- 
written by Karol Langner
Wed Mar 28 11:12:09 CEST 2007