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Re: TDDFT gradients

Alex Granovsky
gran@classic.chem.msu.su


Dear Jonas,

I'd be glad to provide you beta version of Firefly with TDDFT gradient programmed; unfortunately we do not have such a version as of now.

Regards,
Alex Granovsky



On Wed Jul 13 '11 4:51am, Jonas Baltrusaitis wrote
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>I figured those were under development, maybe I could get binaries for testing as I wouldn;t mind to do TDDFT optimization with state tracking

>thanks

>Jonas


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