Posted by Evgeniy on April 08, 2013 at 19:25:32:
Hello,
I wonder if there are analytical gradients for SCF/CASSCF *with CD* in Molcas 7.8 (patchlevel 047). Thanks!
Best regards,Evgeniy
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if B is 1s22s22p1, what is Li?
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Comments: : Hello, : I wonder if there are analytical gradients for SCF/CASSCF *with CD* in Molcas 7.8 (patchlevel 047). Thanks! : Best regards, : Evgeniy