Re: [cclib-devel] MP2 calculations

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

On Thursday 25 of January 2007 17:30, you wrote:
> > I used eactlty the same output as you did in the g03 test, and the
> > energies agree within 10^-7 hartree. Do you mean that the log file I
> > uploaded for the water MP2 job in GAMESS is big?
>
> Apologies - I got confused...I saw a reference to aniline in an
> earlier email, and ...

That was just a calculation I was testing something on yesterday at work, to 
illustrate an optimization.

-- 
written by Karol Langner
Thu Jan 25 18:02:13 CET 2007