[Gausssum-devel] Turbomole and CD spectra
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From: Jonas B. <jas...@ya...> - 2009-08-18 05:20:38
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I must say I was absolutely shocked when I found gaussum. I've been looking for something similar for several years now. It's quite incredible I decided to bypass feature request and write directly to the devel I would like to ask to implement Turbomole support. I would be glad to contribute output files Another thing: if excited states can be done, why not add CD spectra? thanks JOnas |