[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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