DFT-D4

tad-dftd4 Public

PyTorch Autodiff DFT-D4 Implementation.

Python 25Apache-2.0 6 1 1 Updated Aug 10, 2026

cpp-d4 Public

C++ port of DFT-D4

C++ 7LGPL-3.0 9 1 2 Updated Aug 3, 2026

dftd4 Public

Generally Applicable Atomic-Charge Dependent London Dispersion Correction

Fortran 228LGPL-3.0 64 11 3 Updated Jul 29, 2026

dftd4-feedstock Public Forked from conda-forge/dftd4-feedstock

A conda-smithy repository for dftd4.

Shell 0BSD-3-Clause 8 0 0 Updated Jul 14, 2026

dftd4-fit Public

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

Fortran 6LGPL-3.0 2 0 0 Updated Jul 8, 2026

dftd4-python-feedstock Public Forked from conda-forge/dftd4-python-feedstock

A conda-smithy repository for dftd4-python.

Shell 1BSD-3-Clause 6 0 0 Updated Dec 10, 2025

tad-dftd4-feedstock Public Forked from conda-forge/tad-dftd4-feedstock

A conda-smithy repository for tad-dftd4.

0BSD-3-Clause 3 0 0 Updated Mar 5, 2025

dftd4-fitset Public

Benchmark sets used in the parametrisation of the DFT-D4 method

TeX 3 2 0 0 Updated Mar 31, 2023

.github Public

Common resources for dftd4 organization

0 0 0 0 Updated Nov 12, 2021

dftd4-fitdata Public

Awk 2 1 0 0 Updated Nov 7, 2021

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