Posted by Marcin Andrzejak on March 05, 2011 at 12:37:04:
One of the new features in MOlcas 7.x is to be 1-center Cholesky decomposition, for which analytical gradientas are available in CASSCF geometry optimization.
Could someone point me to the appropriate keywords to activate 1-center Ccholesky Decomposition? I just could not find it in the manual.
Thanks!
Marcin