Posted by Ruihong Duan on September 02, 2014 at 11:26:52:
In Reply to: Are there analytical gradients for SCF with CD posted by Evgeniy on April 08, 2013 at 19:25:32:
: I wonder if there are analytical gradients for SCF/CASSCF *with CD* in Molcas 7.8 (patchlevel 047). Thanks!
I encounter the same problem as you. I wonder if you have the solution to use the analytical gradients with fast integral calcultion?
Thank you!
Ruihong