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Installation
Examples
Dispersion energy
Module reference
Cutoff
Damping schemes
Damping: Functions
Damping: Parameters
Dispersion Methods
Dispersion Methods: Base
Dispersion Methods: D3
Dispersion Methods: D4
Dispersion: 2-body terms
Dispersion: 3-body terms
Atomic data
Data: Chemical hardnesses
Data: Expectation values
Data: Radii
Data: Weight Factors
Data: Charges
Defaults
Dispersion Models
Model: Base
Model: D4S
Model: D4S
Model: DFT-D4
Repository
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Data: Radii
Data: Radii
#
Covalent radii (imported from
tad-mctc
).
