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dftd3 / simple-dftd3

Library first implementation of the D3 dispersion correction
https://dftd3.readthedocs.io
GNU Lesser General Public License v3.0
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Add citations for parameters #90

Closed foxtran closed 1 month ago

foxtran commented 1 month ago

It would be nice to know who proposed one or the other parameters of D3 corrections. It is also helpful for users who does not know who to cite.

awvwgk commented 1 month ago

This information is available in the https://github.com/dftd3/simple-dftd3/blob/main/assets/parameters.toml at the moment. It would be great to have support in the library itself to return the citation information.