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@dftd4

DFT-D4

A Generally Applicable Atomic-Charge Dependent London Dispersion Correction.

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  1. dftd4 dftd4 Public

    Generally Applicable Atomic-Charge Dependent London Dispersion Correction

    Fortran 168 49

  2. tad-dftd4 tad-dftd4 Public

    PyTorch Autodiff DFT-D4 Implementation.

    Python 14 4

Repositories

Showing 10 of 11 repositories
  • tad-dftd4 Public

    PyTorch Autodiff DFT-D4 Implementation.

    dftd4/tad-dftd4’s past year of commit activity
    Python 14 Apache-2.0 4 0 0 Updated Dec 15, 2024
  • dftd4 Public

    Generally Applicable Atomic-Charge Dependent London Dispersion Correction

    dftd4/dftd4’s past year of commit activity
    Fortran 168 LGPL-3.0 49 13 (1 issue needs help) 0 Updated Dec 15, 2024
  • dftd4-feedstock Public Forked from conda-forge/dftd4-feedstock

    A conda-smithy repository for dftd4.

    dftd4/dftd4-feedstock’s past year of commit activity
    Shell 0 BSD-3-Clause 6 0 0 Updated Nov 25, 2024
  • cpp-d4 Public

    C++ port of DFT-D4

    dftd4/cpp-d4’s past year of commit activity
    C++ 7 LGPL-3.0 9 1 1 Updated Sep 29, 2024
  • dftd4-fitset Public

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

    dftd4/dftd4-fitset’s past year of commit activity
    TeX 2 2 0 0 Updated Mar 31, 2023
  • dftd4-fit Public

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

    dftd4/dftd4-fit’s past year of commit activity
    Fortran 4 LGPL-3.0 2 0 0 Updated Mar 30, 2023
  • dftd4-python-feedstock Public Forked from conda-forge/dftd4-python-feedstock

    A conda-smithy repository for dftd4-python.

    dftd4/dftd4-python-feedstock’s past year of commit activity
    1 BSD-3-Clause 3 0 0 Updated Jan 22, 2022
  • .github Public

    Common resources for dftd4 organization

    dftd4/.github’s past year of commit activity
    0 0 0 0 Updated Nov 12, 2021
  • dftd4-fitdata Public
    dftd4/dftd4-fitdata’s past year of commit activity
    Awk 2 1 0 0 Updated Nov 7, 2021
  • dftd4_vasp Public archive

    dftd4 interface for the VASP quantum chemistry code.

    dftd4/dftd4_vasp’s past year of commit activity
    Fortran 3 MIT 1 3 0 Updated Oct 6, 2021
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