[molpro-user] deleting/freezing virtuals in CISD or CCSD?

Kirk Peterson kipeters at wsu.edu
Thu Apr 7 16:29:53 BST 2011

Dear Jan,

unfortunately I believe the answer is that there is currently no way to do this at all.

best wishes,


On Apr 7, 2011, at 5:09 AM, Gershom (Jan M.L.) Martin wrote:

> Dear Molpro-gurus:
> 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)?
> Many thanks in advance
> Jan Martin
> _______________________________________________
> Molpro-user mailing list
> Molpro-user at molpro.net
> http://www.molpro.net/mailman/listinfo/molpro-user

More information about the Molpro-user mailing list