[molpro-user] extraction of ccsd singlet&triplet pair energies

Jason Byrd byrd at phys.uconn.edu
Tue Jan 12 21:40:41 GMT 2010


Dear molpro users,

Is it possible to extract the ccsd singlet and triplet pair energies 
within the molpro scripting language as a variable?

Thankyou,
Jason

-- 
Graduate Student
Department of Physics
University of Connecticut U-3046
2152 Hillside Road
Storrs, CT 06269-3046

Office: P209
Tel: 860-486-3484
Email: byrd at phys.uconn.edu




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