dftd4
DFT-D4 (dftd4) / dftd4
Charge-dependent D4 molecular dispersion energies and gradients.
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Checked drivers: dftd4-dispersion-reference
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DFT-D4 (dftd4) / dftd4
Charge-dependent D4 molecular dispersion energies and gradients.
Package details · Repository · Try in playground
Checked drivers: dftd4-dispersion-reference