Re: [cclib-devel] Units in energies revisited

[Noel O'B. <bao...@gm...>]

I guess it's to be consistent with the moenergies. Most of the units
chosen have been experimental units, rather than atomic units.

On 24/01/07, Karol Langner <kar...@kn...> wrote:
> Dear all,
>
>  I wanted to come back to the issue of units in the molecular energies parsed
> by cclib. Is there a reason why scfenergies are converted to eV from
> hartrees?
>
> Karol
>
> --
> written by Karol Langner
> Wed Jan 24 15:41:19 CET 2007
>
>
> -------------------------------------------------------------------------
> Take Surveys. Earn Cash. Influence the Future of IT
> Join SourceForge.net's Techsay panel and you'll get the chance to share your
> opinions on IT & business topics through brief surveys - and earn cash
> http://www.techsay.com/default.php?page=join.php&p=sourceforge&CID=DEVDEV
> _______________________________________________
> cclib-devel mailing list
> ccl...@li...
> https://lists.sourceforge.net/lists/listinfo/cclib-devel
>