Repositories list

• tad-dftd4

  Public
  PyTorch Autodiff DFT-D4 Implementation.

  automatic-differentiationpytorchquantum-chemistry+ 1

  automatic-differentiationpytorchquantum-chemistrydispersion-correction

  Python

  •

  Apache License 2.0

  •5•24•1•1•Updated Mar 2, 2026Mar 2, 2026

• cpp-d4

  Public
  C++ port of DFT-D4

  quantum-chemistrydispersion-correction

  quantum-chemistrydispersion-correction

  C++

  •

  GNU Lesser General Public License v3.0

  •9•7•1•2•Updated Mar 2, 2026Mar 2, 2026

• dftd4

  Public
  Generally Applicable Atomic-Charge Dependent London Dispersion Correction

  computational-chemistryquantum-chemistryase+ 4

  computational-chemistryquantum-chemistryasepyscfdispersion-correctionqcschemafortran-package-manager

  Fortran

  •

  GNU Lesser General Public License v3.0

  •61•208•11•1•Updated Feb 14, 2026Feb 14, 2026

• dftd4-feedstock

  Public
  A conda-smithy repository for dftd4.

  Shell

  •

  BSD 3-Clause "New" or "Revised" License

  •8•0•0•0•Updated Feb 6, 2026Feb 6, 2026

• dftd4-python-feedstock

  Public
  A conda-smithy repository for dftd4-python.

  Shell

  •

  BSD 3-Clause "New" or "Revised" License

  •5•1•0•0•Updated Dec 10, 2025Dec 10, 2025

• tad-dftd4-feedstock

  Public
  A conda-smithy repository for tad-dftd4.

  BSD 3-Clause "New" or "Revised" License

  •3•0•0•0•Updated Mar 5, 2025Mar 5, 2025

• dftd4-fitset

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

  TeX

  •2•3•0•0•Updated Mar 31, 2023Mar 31, 2023

• dftd4-fit

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

  nloptdamping-parametersminpack+ 2

  nloptdamping-parametersminpackdispersion-correctiondftd4

  Fortran

  •

  GNU Lesser General Public License v3.0

  •2•5•0•0•Updated Mar 30, 2023Mar 30, 2023

• .github

  Public
  Common resources for dftd4 organization

  0•0•0•0•Updated Nov 12, 2021Nov 12, 2021

• dftd4-fitdata

  Public
  Awk

  •1•2•0•0•Updated Nov 7, 2021Nov 7, 2021

• dftd4_vasp

  Public archive
  dftd4 interface for the VASP quantum chemistry code.

  Fortran

  •

  MIT License

  •1•3•3•0•Updated Oct 6, 2021Oct 6, 2021

• dftd4-artwork

  Public
  Artwork created for DFT-D4

  artworkdispersion-correction

  artworkdispersion-correction

  Creative Commons Attribution Share Alike 4.0 International

  •0•2•0•0•Updated Feb 28, 2021Feb 28, 2021