Re: [cclib-users] Can cclib extract nuclear repulsion energy?

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

Hi Martin,

That is not parsed currently. It could be included, but if I'm not mistaken
it's very straightforward to calculate it based on parsed coordinates and
nuclear charges, right?

Karol

On Mon, Oct 20, 2014 at 9:37 PM, Martin Rahm <mar...@gm...> wrote:

> This is a very simple thing, but one I'm not sure cclib can do. Have I
> simply missed it, or could it be included?
>
> Thanks,
> Martin
>
>
>
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