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Re: How to use Firefly 8.0.0 to do a numerical gradients optimization?

Alex Granovsky
gran@classic.chem.msu.su

Hello,

I have just completed documentation on numerical gradient code. It is available here

Kind regards,
Alex Granovsky


On Sun Jul 29 '12 5:47am, ganymede wrote
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>Dear Firefly group:

> 營 wanna do a numerical gradients optimization in Firefly 8.0.0, like XMCQDPT and B2PLYP functionals, but there lack of keywords of Firefly 8.0.0 about this new routin, could you please help to provide some examples for me?

>Thank you very much!
>

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