Posted by Francesco Aquilante on June 03, 2009 at 13:34:51:
In Reply to: Analytical CD gradient in Molcas 7.4? posted by Victor Oyeyemi on June 02, 2009 at 17:58:46:
Unfortunately, we plan to have a working implementation of the CD and RI analytical gradients for HF and CASSCF only in later versions of Molcas, most likely starting from 8.0
: Dear Developers,
: Will analytical cd gradient for Hatree Fock be implemented in the upcoming release of Molcas 7.4?
: Thanks.