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Re: Interstate crossing in FIREFLY

Alex Granovsky
gran@classic.chem.msu.su


Hi,

please see this document for details.

Regards,
Alex Granovsky


On Sun Sep 2 '12 7:20pm, Diver wrote
------------------------------------
>Hello!
> What is the FIREFLY analog of US GAMESS $MEX routine?

>$CONTRL RUNTYPE=MEX $END
>$MEX � scf1=uhf mult1=1 nmos1=43
> � � � scf2=uhf mult2=3 nmos2=43 nrdmos=3 $end

>Could I include precalculated hessians of both states.

>Thank you in advance,
>Diver


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