Module reference

The following modules are contained with tad-dftd4.

• Cutoff
• Cutoff
  • Cutoff.cn
  • Cutoff.cn_eeq
  • Cutoff.disp2
  • Cutoff.disp3
• Damping schemes
• Damping: Functions
• Damping
  • Damping.doi
  • Damping.radius_type
• MZeroDamping
  • MZeroDamping.REQUIRED_BY_ORDER
  • MZeroDamping.radius_type
• OptimisedPowerDamping
  • OptimisedPowerDamping.REQUIRED_BY_ORDER
  • OptimisedPowerDamping.radius_type
• RationalDamping
  • RationalDamping.REQUIRED_BY_ORDER
  • RationalDamping.radius_type
• ZeroDamping
  • ZeroDamping.REQUIRED_BY_ORDER
  • ZeroDamping.radius_type
• Damping: Parameters
• Dispersion Methods
• Dispersion Methods: Base
• Disp
  • Disp.calculate()
  • Disp.get_model()
  • Disp.TERMS
  • Disp.cn_fn
  • Disp.cn_fn_kwargs
  • Disp.terms
• DispTerm
  • DispTerm.calculate()
  • DispTerm.charge_dependent
  • DispTerm.damping_fn
• Dispersion Methods: D3
• DispD3BJ
  • DispD3BJ.TERMS
  • DispD3BJ.cn_fn
  • DispD3BJ.cn_fn_kwargs
  • DispD3BJ.terms
• DispD3Zero
  • DispD3Zero.TERMS
  • DispD3Zero.cn_fn
  • DispD3Zero.cn_fn_kwargs
  • DispD3Zero.terms
• Dispersion Methods: D4
• DispD4
  • DispD4.TERMS
  • DispD4.cn_fn
  • DispD4.cn_fn_kwargs
  • DispD4.terms
• Dispersion: 2-body terms
• TwoBodyTerm
  • TwoBodyTerm.calculate()
  • TwoBodyTerm.charge_dependent
  • TwoBodyTerm.damping_fn
• dispersion2()
• Dispersion: 3-body terms
• ATM
  • ATM.calculate()
  • ATM.get_c9()
  • ATM.get_radii()
  • ATM.charge_dependent
  • ATM.damping_fn
• get_atm_dispersion()
• Atomic data
• Data: Chemical hardnesses
• GAM()
• Data: Expectation values
• R4R2()
• Data: Radii
• Data: Weight Factors
• Data: Charges
• ZEFF()
• Defaults
• A1
• A2
• ALP
• BET
• D4_CN_CUTOFF
• D4_CN_EEQ_CUTOFF
• D4_CN_EEQ_MAX
• D4_DISP2_CUTOFF
• D4_DISP3_CUTOFF
• D4_K4
• D4_K5
• D4_K6
• D4_KCN
• RS6
• RS8
• RS9
• S10
• S6
• S8
• S9
• Dispersion Models
• Model: Base
• BaseModel
  • BaseModel.get_atomic_c6()
  • BaseModel.get_polarizabilities()
  • BaseModel.get_weighted_pols()
  • BaseModel.weight_references()
  • BaseModel.ga
  • BaseModel.gc
  • BaseModel.numbers
  • BaseModel.rc6
  • BaseModel.ref_charges
  • BaseModel.wf
• Model: D4S
• D4Model
  • D4Model.get_atomic_c6()
  • D4Model.get_weighted_pols()
  • D4Model.weight_references()
  • D4Model.ga
  • D4Model.gc
  • D4Model.numbers
  • D4Model.rc6
  • D4Model.ref_charges
  • D4Model.wf
• Model: D4S
• D4Model
  • D4Model.get_atomic_c6()
  • D4Model.get_weighted_pols()
  • D4Model.weight_references()
  • D4Model.ga
  • D4Model.gc
  • D4Model.numbers
  • D4Model.rc6
  • D4Model.ref_charges
  • D4Model.wf
• Model: DFT-D4
• D4SModel
  • D4SModel.get_atomic_c6()
  • D4SModel.get_weighted_pols()
  • D4SModel.weight_references()
  • D4SModel.ga
  • D4SModel.gc
  • D4SModel.numbers
  • D4SModel.rc6
  • D4SModel.ref_charges
  • D4SModel.wf