[molpro-user] Iterations syntax

Manhui Wang wangm9 at Cardiff.ac.uk
Mon Jun 11 16:13:02 BST 2007


Hi Terry,
    Yes. You are right. It will be updated very soon.

Thanks for your advice.

Manhui

Terry Frankcombe wrote:
> Am I correct in thinking that the online documentation for the
> ITERATIONS directive is out of date?
> 
> Using Molpro 2006.1 patch level 85 with input like:
> 
> ITERATIONS; DO UNCOUPLE 1 TO 4; END
> 
> I get:
> 
>  Obsolete input ITERATIONS. Please use curley brackets:
>   {ITERATIONS 
>   DO/DONT,...}
> 
> Yet in the docs at
> http://www.molpro.net/info/current//doc/manual/node241.html there's no
> mention of using extra braces.
> 
> 

-- 
-----------
Manhui  Wang
School of Chemistry, Cardiff University,
Main Building, Park Place,
Cardiff CF10 3AT, UK
Telephone: +44 (0)29208 76637
E-mail: wangm9 at cardiff.ac.uk



More information about the Molpro-user mailing list