Firefly and PC GAMESS-related discussion club

 
Learn how to ask questions correctly  
 
 

 

Thomas
thomaspijper@hotmail.com

According to an earlier post by Alex, TDDFT analytical gradients will not be present in FF 8.0. However, they might be included in later version of FF as they still are a priority feature. See also:

http://classic.chem.msu.su/cgi-bin/ceilidh.exe/gran/gamess/forum/?C35e9ea909bHW-7873-983-00.htm

http://classic.chem.msu.su/cgi-bin/ceilidh.exe/gran/gamess/forum/?C35e9ea909bHW-7877-926+00.htm


Kind regards,
Thom



On Fri Sep 9 '11 8:56pm, Ron Bakus wrote
----------------------------------------
>Are TDDFT analytic gradients going to be included FF 8.0?  I noticed in a previous post by Alex that in the current FF 8.0 beta, analytic gradients were not programed yet, however, there was no mention of whether it was planned, and just hadn't been implemented yet.

>I'm crossing my fingers on this one, because it's a feature that would be extremely useful to our research group.