Possible Bug in NWCHEM: TD-B97
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Just Got Here
12:15:07 AM PDT - Wed, Jul 3rd 2013
Dear Edoapra,
thank you for the clarification and the patch. In case the NWCHEM team is interested in the analytical code, I can provide you with the C++ routines, that can easily be converted to F90 as well as adapted to other, similar functionals.