Beta version of NWChem 6.6 available for download

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Quote:Mernst Oct 6th 9:21 am
Is the Maxima-generated DFT code ready for use in this release? Earlier this year I was trying to calculated NMR shielding properties with DFT but many of the nwdft functionals don't have the necessary second derivatives implemented. I was hoping that the new autogenerated code, though slower, would be more comprehensive.


Mernst,
Not all the components of the Maxima-generated code will be ready for use as part of the 6.6 release.
Once the stable version of the release is out, we will able to give a more precise statement about it


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