[molpro-user] Is there a special variable for the state-averaged energy in SA-CASSCF?

Seth Olsen seth.olsen at uq.edu.au
Fri Jul 27 01:01:26 BST 2012

I'm doing some scripting using the molpro language, and it would be useful to know if the state-averaged energy can be called from a special variable (instead of being built from the elements of vector variable energy(i)).  BTW, is there a place to look for a complete list of variables that can be called?  Is the list in section 8.8 of the manual exhaustive? -Seth
Seth Olsen
ARC Australian Research Fellow
6-431 Physics Annexe
School of Mathematics and Physics
The University of Queensland
Brisbane QLD 4072 Australia
seth.olsen at uq.edu.au
+61 7 3365 2816
Unless stated otherwise, this e-mail represents only the views of the Sender and not the views of The University of Queensland

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