[molpro-user] FCI saving and loading vectors
Petra R Kapralova-Zdanska
kapralova at jh-inst.cas.cz
Thu Sep 13 10:44:58 BST 2012
Dear Molpro users,
I would like to save FCI vectors for several excited states and
then use them again as a starting point for a subsequent FCI
diagonalization. In this mailing list, I have found a way to save and
load the ground state FCI vector, which works fine:
As I need to extend this method for the excited states,
I tried this modification:
but it only saves/loads the FCI ground state.
How to accomplish my idea?
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