[cclib-devel] fragcharges

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

Hi all,

 Concerning the fragcharges attribute from the population methods - they 
currently contain the number of electrons on the fragment and not the charge 
on (for example) an atom. Shouldn't we add the nuclear charge for fragments 
on atoms? If not, maybe it would be better to rename the attribute to 
something like "fragpop"?

- Karol

-- 
written by Karol Langner
Wed May 23 14:35:06 CEST 2007