[molpro-user] ADD and SCALE for numerical gradients

Kelly Higgins higgins at otto.harvard.edu
Wed Jan 26 01:02:04 GMT 2005


Has any progress been made on the ability to use the ADD and SCALE 
commands with numerical gradients?  This has been mentioned a couple of 
times in the past because it would be very nice to be able to perform 
counterpoise corrected geometry optimizations at the CCSD(T) level.

Kelly J. Higgins
Postdoctoral Research Associate
Department of Chemistry and Chemical Biology
Harvard University
Cambridge, MA  02138

higgins at otto.harvard.edu

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