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

Takao Kobayashi tkoba at rc.m-kagaku.co.jp
Mon Jul 31 03:38:54 BST 2006


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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