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()
• Defaults
• A1
• A2
• ALP
• D3_CN_CUTOFF
• D3_DISP_CUTOFF
• D3_KCN
• MAX_ELEMENT
• RS9
• S6
• S8
• S9
• Dispersion energy
• dftd3()
• dispersion()
• dispersion2()
• dispersion3()
• Model: Dispersion model
• Coordination Number
• Reference model
• Reference
  • Reference.to()
  • Reference.type()
  • Reference.c6
  • Reference.cn
  • Reference.device
  • Reference.dtype
• Type annotations
• Type annotations: D3
• Type annotations: PyTorch
• DD
  • DD.device
  • DD.dtype
• Molecule
  • Molecule.numbers
  • Molecule.positions
• get_default_device()
• get_default_dtype()