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damping-parameters

Here are 2 public repositories matching this topic...

patonlab / pyDFTD3

Python version of Grimme's D3-dispersion correction for Gaussian input/output

gaussian dispersion-energies damping-parameters becke-johnson grimme

Updated Aug 27, 2022
Python

dftd4 / dftd4-fit

Driver to combine dftd4 and minpack/nlopt for damping parameter optimization

nlopt damping-parameters minpack dispersion-correction dftd4

Updated Mar 30, 2023
Fortran

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