electronic coupling from CDFT

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11:47:47 AM PDT - Mon, Aug 24th 2015
Quote:Jtravers Aug 24th 8:04 am Quote:Bert May 8th 4:08 pm An external contributor Erik McNellis is working with us and Wu to get this implemented. It will not make this release, but will be made available as soon as its ready in a subsequent developers release. Bert Hi, Could you please tell me whether this function (ET coupling computed at the CDFT level) has been implemented in the lastest version of NWCHEM? Thanks! Best wishes John No, it has not.