Firefly and PC GAMESS-related discussion club

Learn how to ask questions correctly  
We are NATO-free zone

Re: Performance of numerical geometry optimization in FF

Alex Granovsky



Kind Regards,
Alex Granovsky

On Mon Feb 15 '16 2:25pm, GrEv wrote
>Dear All,

>I am interested in numerical geometry optimization with FF at the XMCQDPT2 level.
>I wonder how it is arranged, in particular whether it is parallelized with respect to all distortions needed to evaluate the gradients.

>Best regards,

[ Previous ] [ Next ] [ Index ]           Wed Feb 17 '16 1:37am
[ Reply ] [ Edit ] [ Delete ]           This message read 226 times