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dftd3 / simple-dftd3

reimplementation of the DFT-D3 program
https://dftd3.readthedocs.io
GNU Lesser General Public License v3.0
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Include damping parameters for DM21 models #39

Closed awvwgk closed 1 year ago

awvwgk commented 1 year ago

Include damping parameters for the DM21 function (see https://www.science.org/stoken/author-tokens/ST-218/full), which are equivalent to the B3LYP ones.

awvwgk commented 1 year ago

Closed with https://github.com/dftd3/simple-dftd3/pull/42