Firefly and PC GAMESS-related discussion club



Learn how to ask questions correctly


Re^2: Proposals for updating the manual

sanya
sanya@photonics.ru


Did I get it right that H-ECPs will work automatically in the next versions of Firefly? Great!
By the way, what is the situation with H-ECPs in GAMESS-US? I couldn't find anything from the manual...

>The reason why this was not properly documented (and why the use
>of H-ECPs was not made the fully automatic procedure without the
>need of any $ecpinp input) is that this code was considered as a
>beta-quality code. However, it works fine and thus, it will be
>transparently integrated into generic ECP code in the next minor
>update to Firefly.


[ Previous ] [ Next ] [ Index ]           Fri Jan 8 '10 9:02pm
[ Reply ] [ Edit ] [ Delete ]           This message read 902 times