DFT-D4 (@dftd4)
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dftd4

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  • Stars
    star
    193
  • Global Org. Rank 41,178 (Top 14 %)
  • Registered over 5 years ago
  • Most used languages
    Fortran
         42.9 %
    TeX
         14.3 %
    Python
         14.3 %
    C++
         14.3 %
    Awk     14.3 %

Top repositories

1

dftd4

Generally Applicable Atomic-Charge Dependent London Dispersion Correction
Fortran
163
star
2

tad-dftd4

PyTorch Autodiff DFT-D4 Implementation.
Python
13
star
3

cpp-d4

C++ port of DFT-D4
C++
6
star
4

dftd4-fit

Driver to combine dftd4 and minpack/nlopt for damping parameter optimization
Fortran
5
star
5

dftd4_vasp

dftd4 interface for the VASP quantum chemistry code.
Fortran
3
star
6

dftd4-artwork

Artwork created for DFT-D4
2
star
7

dftd4-fitdata

Awk
2
star
8

dftd4-fitset

Benchmark sets used in the parametrisation of the DFT-D4 method
TeX
2
star