[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
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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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