[molpro-user] restart optg

Jacky LIEVIN jlievin at ulb.ac.be
Wed Mar 17 16:48:12 GMT 2010


Hello,

Is there some way for writing the updated hessian information on a  
permanent file record during optg. This would be helpful for  
restarting the geometry optimization from the last completed cycle

Any help would be welcomed

Jacky
_____________________________________
Jacky Liévin
Service de Chimie Quantique et Photophysique
Université Libre de Bruxelles, CPi 160/09
50 av F.D. Roosevelt
B-1050 Bruxelles
Belgium
Tel: +32-2-650 4089
Fax: +32-2-650 4232
_____________________________________




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