[molpro-user] restart optg

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


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

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