Re: [cclib-devel] Jaguar basis sets

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

On Friday 09 of February 2007 09:09, Noel O'Boyle wrote:
> STO-3G is defined differently as a set of 3 GTOs (1S), 2 GTOs + 1 GTO
> (2S), 2GTOs + 1 GTO (2P).
>
> Now that we've figured this out, I will add gbasis to the Jaguar
> parser over the next few days.

That's a little surprising, that STO-3G is defined differently. Also, the 
energy zomes out exactly the same.

Karol

-- 
written by Karol Langner
Mon Feb 12 19:14:36 CET 2007