DFT-D4

A Generally Applicable Atomic-Charge Dependent London Dispersion Correction.

Pinned Repositories

.github
Common resources for dftd4 organization
0 2 00
cpp-d4
C++ port of DFT-D4
Language:C++6 4 59
dftd4
Generally Applicable Atomic-Charge Dependent London Dispersion Correction
Language:Fortran163 10 10548
dftd4-artwork
Artwork created for DFT-D4
2 3 00
dftd4-fit
Driver to combine dftd4 and minpack/nlopt for damping parameter optimization
Language:Fortran5 2 12
dftd4-fitdata
Language:Awk2 2 01
dftd4-fitset
Benchmark sets used in the parametrisation of the DFT-D4 method
Language:TeX2 2 02
dftd4-python-feedstock
A conda-smithy repository for dftd4-python.
1 2 00
dftd4_vasp
dftd4 interface for the VASP quantum chemistry code.
Language:Fortran3 4 41
tad-dftd4
PyTorch Autodiff DFT-D4 Implementation.
Language:Python13 3 43

DFT-D4's Repositories

dftd4/dftd4
Generally Applicable Atomic-Charge Dependent London Dispersion Correction
Language:Fortran163 10 10548
dftd4/tad-dftd4
PyTorch Autodiff DFT-D4 Implementation.
Language:Python13 3 43
dftd4/cpp-d4
C++ port of DFT-D4
Language:C++6 4 59
dftd4/dftd4-fit
Driver to combine dftd4 and minpack/nlopt for damping parameter optimization
Language:Fortran5 2 12
dftd4/dftd4_vasp
dftd4 interface for the VASP quantum chemistry code.
Language:Fortran3 4 41
dftd4/dftd4-artwork
Artwork created for DFT-D4
2 3 00
dftd4/dftd4-fitdata
Language:Awk2 2 01
dftd4/dftd4-fitset
Benchmark sets used in the parametrisation of the DFT-D4 method
Language:TeX2 2 02
dftd4/dftd4-python-feedstock
A conda-smithy repository for dftd4-python.
1 2 00
dftd4/.github
Common resources for dftd4 organization
0 2 00
dftd4/dftd4-feedstock
A conda-smithy repository for dftd4.
Language:Shell0 2 00