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Published 20 hours ago • verified publisher icon pfnet-research

[Feature Request]: Add option for new DFT-D4 parameters

Open ajhoffman1229 opened this issue 6 months ago • 1 comments

The Grimme group has released an updated and re-parameterized version of their dispersion correction, DFT-D4. Would it be possible to add this new parameterization to this torch implementation?

ajhoffman1229 avatar Aug 16 '24 18:08 ajhoffman1229