Module reference#
The following modules are contained with tad-dftd3.
- Damping schemes
- Rational (Becke-Johnson) damping function
rational_damping()
- Axilrod-Teller-Muto (ATM) dispersion term
dispersion_atm()
- Atomic data
- Data: Expectation values
R4R2
- Data: Radii
- Defaults
A1
A2
ALP
D3_CN_CUTOFF
D3_DISP_CUTOFF
D3_KCN
MAX_ELEMENT
RS9
S6
S8
S9
- Dispersion energy
dftd3()
dispersion()
dispersion2()
dispersion3()
- Dispersion model
atomic_c6()
gaussian_weight()
weight_references()
- Coordination Number
- Reference model
Reference
- Type annotations: Built-ins
TypedDict()
- Type annotations: D3
- Type annotations: PyTorch
DD
Molecule
get_default_device()
get_default_dtype()