[molpro-user] Max step length in one optimization step

[MHT]

Hi,
You didn't write comma or semicolon. Maybe you should check this. 


On Mon, 31 Jul 2006, Takao Kobayashi wrote:

> Dear Molpro users,
> 
> I would like to change the maximum step size of one optimization step 
> in Molpro2006. I tried to change the step size by the following input:
> 
> stepmax=0.01
> optg
> 
> or 
> 
> optg
> STEP,0.01,0.2,2
> 
> But I could not change it at all. 
> How can I change the step size of one optimization step in Molpro2006?
> 
> Thank you in advance.
> 
> Takao Kobayashi
> 
> ************************************************************
>                     Dr. Takao Kobayashi
>                  Mitsubishi Chemical Group
>           Science & Technology Research Center, Inc.
>    1000 Kamoshida-cho, Aoba-ku, Yokohama 227-8502, Japan
> 
>            e-mail:  tkoba at rc.m-kagaku.co.jp
>            Tel:     (+81) 45-963-3834
>            Fax:     (+81) 45-963-3835
> ************************************************************
> 

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