Index

A

A1 (in module tad_dftd4.defaults) A2 (in module tad_dftd4.defaults)

ALP (in module tad_dftd4.defaults) ATM (class in tad_dftd4.dispersion.threebody)

B

BaseModel (class in tad_dftd4.model.base)

BET (in module tad_dftd4.defaults)

C

calculate() (tad_dftd4.dispersion.base.Disp method) (tad_dftd4.dispersion.base.DispTerm method) (tad_dftd4.dispersion.threebody.ATM method) (tad_dftd4.dispersion.twobody.TwoBodyTerm method) charge_dependent (tad_dftd4.dispersion.base.DispTerm attribute) (tad_dftd4.dispersion.threebody.ATM attribute) (tad_dftd4.dispersion.twobody.TwoBodyTerm attribute) cn (tad_dftd4.cutoff.Cutoff attribute) cn_eeq (tad_dftd4.cutoff.Cutoff attribute)

cn_fn (tad_dftd4.dispersion.base.Disp attribute) (tad_dftd4.dispersion.d3.DispD3BJ attribute) (tad_dftd4.dispersion.d3.DispD3Zero attribute) (tad_dftd4.dispersion.d4.DispD4 attribute) cn_fn_kwargs (tad_dftd4.dispersion.base.Disp attribute) (tad_dftd4.dispersion.d3.DispD3BJ attribute) (tad_dftd4.dispersion.d3.DispD3Zero attribute) (tad_dftd4.dispersion.d4.DispD4 attribute) Cutoff (class in tad_dftd4.cutoff)

D

D4_CN_CUTOFF (in module tad_dftd4.defaults) D4_CN_EEQ_CUTOFF (in module tad_dftd4.defaults) D4_CN_EEQ_MAX (in module tad_dftd4.defaults) D4_DISP2_CUTOFF (in module tad_dftd4.defaults) D4_DISP3_CUTOFF (in module tad_dftd4.defaults) D4_K4 (in module tad_dftd4.defaults) D4_K5 (in module tad_dftd4.defaults) D4_K6 (in module tad_dftd4.defaults) D4_KCN (in module tad_dftd4.defaults) D4Model (class in tad_dftd4.model.d4), [1], [2] D4SModel (class in tad_dftd4.model.d4s) Damping (class in tad_dftd4.damping.functions)

damping_fn (tad_dftd4.dispersion.base.DispTerm attribute) (tad_dftd4.dispersion.threebody.ATM attribute) (tad_dftd4.dispersion.twobody.TwoBodyTerm attribute) dftd4() (in module tad_dftd4.disp) Disp (class in tad_dftd4.dispersion.base) disp2 (tad_dftd4.cutoff.Cutoff attribute) disp3 (tad_dftd4.cutoff.Cutoff attribute) DispD3BJ (class in tad_dftd4.dispersion.d3) DispD3Zero (class in tad_dftd4.dispersion.d3) DispD4 (class in tad_dftd4.dispersion.d4) dispersion2() (in module tad_dftd4.dispersion.twobody) DispTerm (class in tad_dftd4.dispersion.base) doi (tad_dftd4.damping.functions.Damping attribute)

G

ga (tad_dftd4.model.base.BaseModel attribute) (tad_dftd4.model.d4.D4Model attribute), [1], [2] (tad_dftd4.model.d4s.D4SModel attribute) GAM() (in module tad_dftd4.data.hardness) gc (tad_dftd4.model.base.BaseModel attribute) (tad_dftd4.model.d4.D4Model attribute), [1], [2] (tad_dftd4.model.d4s.D4SModel attribute) get_atm_dispersion() (in module tad_dftd4.dispersion.threebody) get_atomic_c6() (tad_dftd4.model.base.BaseModel method) (tad_dftd4.model.d4.D4Model method), [1], [2] (tad_dftd4.model.d4s.D4SModel method)

get_c9() (tad_dftd4.dispersion.threebody.ATM method) get_model() (tad_dftd4.dispersion.base.Disp method) get_polarizabilities() (tad_dftd4.model.base.BaseModel method) get_properties() (in module tad_dftd4.disp) get_radii() (tad_dftd4.dispersion.threebody.ATM method) get_weighted_pols() (tad_dftd4.model.base.BaseModel method) (tad_dftd4.model.d4.D4Model method), [1], [2] (tad_dftd4.model.d4s.D4SModel method)

M

module tad_dftd4.cutoff tad_dftd4.damping tad_dftd4.damping.functions tad_dftd4.damping.parameters tad_dftd4.data tad_dftd4.data.hardness tad_dftd4.data.r4r2 tad_dftd4.data.radii tad_dftd4.data.wfpair tad_dftd4.data.zeff tad_dftd4.defaults tad_dftd4.disp tad_dftd4.dispersion tad_dftd4.dispersion.base tad_dftd4.dispersion.d3 tad_dftd4.dispersion.d4 tad_dftd4.dispersion.threebody tad_dftd4.dispersion.twobody tad_dftd4.model tad_dftd4.model.base tad_dftd4.model.d4, [1], [2] tad_dftd4.model.d4s

MZeroDamping (class in tad_dftd4.damping.functions)

N

numbers (tad_dftd4.model.base.BaseModel attribute) (tad_dftd4.model.d4.D4Model attribute), [1], [2] (tad_dftd4.model.d4s.D4SModel attribute)

O

OptimisedPowerDamping (class in tad_dftd4.damping.functions)

R

R4R2() (in module tad_dftd4.data.r4r2) radius_type (tad_dftd4.damping.functions.Damping attribute) (tad_dftd4.damping.functions.MZeroDamping attribute) (tad_dftd4.damping.functions.OptimisedPowerDamping attribute) (tad_dftd4.damping.functions.RationalDamping attribute) (tad_dftd4.damping.functions.ZeroDamping attribute) RationalDamping (class in tad_dftd4.damping.functions) rc6 (tad_dftd4.model.base.BaseModel attribute) (tad_dftd4.model.d4.D4Model attribute), [1], [2] (tad_dftd4.model.d4s.D4SModel attribute)

ref_charges (tad_dftd4.model.base.BaseModel attribute) (tad_dftd4.model.d4.D4Model attribute), [1], [2] (tad_dftd4.model.d4s.D4SModel attribute) REQUIRED_BY_ORDER (tad_dftd4.damping.functions.MZeroDamping attribute) (tad_dftd4.damping.functions.OptimisedPowerDamping attribute) (tad_dftd4.damping.functions.RationalDamping attribute) (tad_dftd4.damping.functions.ZeroDamping attribute) RS6 (in module tad_dftd4.defaults) RS8 (in module tad_dftd4.defaults) RS9 (in module tad_dftd4.defaults)

S

S10 (in module tad_dftd4.defaults) S6 (in module tad_dftd4.defaults)

S8 (in module tad_dftd4.defaults) S9 (in module tad_dftd4.defaults)

T

tad_dftd4.cutoff module tad_dftd4.damping module tad_dftd4.damping.functions module tad_dftd4.damping.parameters module tad_dftd4.data module tad_dftd4.data.hardness module tad_dftd4.data.r4r2 module tad_dftd4.data.radii module tad_dftd4.data.wfpair module tad_dftd4.data.zeff module tad_dftd4.defaults module tad_dftd4.disp module tad_dftd4.dispersion module

tad_dftd4.dispersion.base module tad_dftd4.dispersion.d3 module tad_dftd4.dispersion.d4 module tad_dftd4.dispersion.threebody module tad_dftd4.dispersion.twobody module tad_dftd4.model module tad_dftd4.model.base module tad_dftd4.model.d4 module, [1], [2] tad_dftd4.model.d4s module TERMS (tad_dftd4.dispersion.base.Disp attribute) terms (tad_dftd4.dispersion.base.Disp attribute) TERMS (tad_dftd4.dispersion.d3.DispD3BJ attribute) terms (tad_dftd4.dispersion.d3.DispD3BJ attribute) TERMS (tad_dftd4.dispersion.d3.DispD3Zero attribute) terms (tad_dftd4.dispersion.d3.DispD3Zero attribute) TERMS (tad_dftd4.dispersion.d4.DispD4 attribute) terms (tad_dftd4.dispersion.d4.DispD4 attribute) TwoBodyTerm (class in tad_dftd4.dispersion.twobody)

W

weight_references() (tad_dftd4.model.base.BaseModel method) (tad_dftd4.model.d4.D4Model method), [1], [2] (tad_dftd4.model.d4s.D4SModel method)

wf (tad_dftd4.model.base.BaseModel attribute) (tad_dftd4.model.d4.D4Model attribute), [1], [2] (tad_dftd4.model.d4s.D4SModel attribute)

Z

ZEFF() (in module tad_dftd4.data.zeff)

ZeroDamping (class in tad_dftd4.damping.functions)