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TDDFT gradients and FF 8.0.0
Ron Bakus
rbakus@chem.ucsb.edu
Are TDDFT analytic gradients going to be included FF 8.0? I noticed in a previous post by Alex that in the current FF 8.0 beta, analytic gradients were not programed yet, however, there was no mention of whether it was planned, and just hadn't been implemented yet.I'm crossing my fingers on this one, because it's a feature that would be extremely useful to our research group.
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Fri Sep 9 '11 8:56pm
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