[molpro-user] Question about stepmax

[Andy May]

Kai,

If I change the input to:

{optg,stepmax=0.04;}

and run the calculation then the output is not the same as before.

Please update or tell your sysadmin to update the Molpro install. Since 
you have access to 2008.1 then whoever is the licensee will at least 
have access to 2010.1 version.

Best wishes,

Andy

On 03/09/13 01:36, mingkai wrote:
> Dear Molpro users,
>
> I would like to change the maximum step size of one optimization step in
> Version 2008.1.
>
> optg，stepmax=0.16;
>
> However，it seems that the stepmax does not change in the output file.
> Please see the attachment output file named test-maxstep.out.
>
>
> Thank you in advance.
>
> -kai
>
>
>
>
>
>
>
>
> _______________________________________________
> Molpro-user mailing list
> Molpro-user at molpro.net
> http://www.molpro.net/mailman/listinfo/molpro-user
>