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DFT-D3

Consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D)

10 followers
https://dftd3.readthedocs.io

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simple-dftd3 Public

Library first implementation of the D3 dispersion correction

Fortran 64 30
tad-dftd3 Public

PyTorch Autodiff DFT-D3 Implementation.

Python 18 6

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Showing 5 of 5 repositories

simple-dftd3 Public
Library first implementation of the D3 dispersion correction

Fortran 64 LGPL-3.0 30 8 (1 issue needs help) 2 Updated Apr 10, 2025
tad-dftd3 Public
PyTorch Autodiff DFT-D3 Implementation.

Python 18 Apache-2.0 6 0 0 Updated Apr 8, 2025
simple-dftd3-feedstock Public Forked from conda-forge/simple-dftd3-feedstock
A conda-smithy repository for simple-dftd3.

Shell 0 BSD-3-Clause 4 0 0 Updated Apr 4, 2025
tad-dftd3-feedstock Public Forked from conda-forge/tad-dftd3-feedstock
A conda-smithy repository for tad-dftd3.

0 BSD-3-Clause 3 0 0 Updated Dec 10, 2024
dftd3-python-feedstock Public Forked from conda-forge/dftd3-python-feedstock
A conda-smithy repository for dftd3-python.

Shell 0 BSD-3-Clause 4 0 0 Updated Nov 16, 2024

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