[molpro-user] deleting/freezing virtuals in CISD or CCSD?
knizia at theochem.uni-stuttgart.de
Thu Apr 7 17:39:38 BST 2011
On Thursday 07 April 2011 14:09, Gershom (Jan M.L.) Martin wrote:
> This is perhaps an oddball question, but is there a simple/straightforward
> way in Molpro to do a CISD or CCSD calculation in a subset of the virtual
> orbitals (e.g., with one or more virtuals at the top deleted)?
I'm sorry, but I don't think this is possible with the current code.
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