[molpro-user] selection of CAS

[Peter Knowles]

Yes, that can be done with FREEZE: http://www.molpro.net/info/2012.1/doc/manual/node225.html
Peter
On 5 Sep 2013, at 10:03, A.Zech at stud.uni-heidelberg.de wrote:

>  Is there a way to keep the CAS orbital selection (after ROTATE) constant during the wavefunction optimization?

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Prof. Peter J. Knowles             
School of Chemistry, Cardiff University, Main Building, Park Place, Cardiff CF10 3AT, UK
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