From: Jean-Didier <jea...@ua...> - 2007-12-11 11:22:18
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Hi, Just a mistake: root = route:-) Cheers, JD On Mon, 2007-12-10 at 23:18 +0100, Karol Langner wrote: > On Friday 30 November 2007 14:53, Noel O'Boyle wrote: > > On 30/11/2007, Jean-Didier Maréchal <jea...@ua...> wrote: > > > Well, I see that I could have done in four lines what I managed with > > > twice more. > > > > > > One question though, is there any possibility to collect the root from > > > the gaussian output? > > > > I'm afraid not. This seems to be true for both cclib and openbabel. > > Hi jean and Noel. I think I'm missing part of the discussion here. What do yo > mean by 'root'? > > Cheer, > Karol > |