[molpro-user] Syntax of symmetry command in MOLPRO 2009.1
Andy May
MayAJ1 at cardiff.ac.uk
Tue Aug 25 08:09:02 BST 2009
Jacek,
Thanks for pointing this out, I will update the documentation accordingly.
Best wishes,
Andy
jacek klos wrote:
> Dear Molpro Users,
>
> The current manual for 2009.1 version of Molpro specifies geometry
> input in 10.1 Section. There is
> a syntax for symmetry command as: [SYMMETRY={ /options/ }].
> The above syntax doesn't work, the one which works ( and can be found in
> some of the inputs in the 'examples' folder in Molpro source tree)
> is the following: [SYMMETRY,options] , where options are the same as
> 10.1 Section explains, for example 'symmetry,x,y' to get C2v symmetry.
>
> Best regards
> Jacek Klos
>
>
>
>
>
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