Firefly and PC GAMESS-related discussion club

 
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Alex Granovsky
gran@classic.chem.msu.su

essentially, IFDMOD defines the way how geometrical constrains
are imposed on the set of DLCs. There are several possible ways
how this can be done, and there are three of them programmed
in Firefly (IFDMOD=0,1,2). The most stable way is probably to use
IFDMOD=0. Other methods can have some advantages in special situations.

Kind regards,
Alex


On Sun Nov 20 '11 2:07pm, Luca Maidich wrote
--------------------------------------------
>Good morning Peter,
>you can find a little piece of information here
>http://classic.chem.msu.su/cgi-bin/ceilidh.exe/gran/gamess/forum/?C34df668afbHW-7292-202+00.htm

>Actually I don't know exactly how IFDMOD affects the process of freezing internals, I only know that you can choose between IFDMOD=X where X=0,1,2.

>Kind Regards
>Luca Maidich