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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 187 54

  2. tad-dftd4 tad-dftd4 Public

    PyTorch Autodiff DFT-D4 Implementation.

    Python 20 4

  3. cpp-d4 cpp-d4 Public

    C++ port of DFT-D4

    C++ 7 9

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