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dftd4/dftd4-fit

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

damping-parameters dftd4 dispersion-correction minpack nlopt

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Contributors

Latest Release

v0.2.1March 30, 2023 + 1 more releases

GNU Lesser General Public License v3.0

Created November 6, 2021

Updated June 14, 2025

dftd4/dftd4-fit | GitHunt