dftd4 / dftd4 Star 170 Code Issues Pull requests Discussions Generally Applicable Atomic-Charge Dependent London Dispersion Correction computational-chemistry quantum-chemistry ase pyscf dispersion-correction qcschema fortran-package-manager Updated Feb 8, 2025 Fortran
dftd3 / simple-dftd3 Star 59 Code Issues Pull requests Library first implementation of the D3 dispersion correction computational-chemistry quantum-chemistry ase pyscf dispersion-correction qcschema Updated Dec 20, 2024 Fortran
dftd4 / dftd4-fit Star 4 Code Issues Pull requests Driver to combine dftd4 and minpack/nlopt for damping parameter optimization nlopt damping-parameters minpack dispersion-correction dftd4 Updated Mar 30, 2023 Fortran