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Re: Performance of numerical geometry optimization in FF

Alex Granovsky



Kind Regards,
Alex Granovsky

On Mon Feb 15 '16 2:25pm, GrEv wrote
>Dear All,

>I am interested in numerical geometry optimization with FF at the XMCQDPT2 level.
>I wonder how it is arranged, in particular whether it is parallelized with respect to all distortions needed to evaluate the gradients.

>Best regards,

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