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Dispersion
dxtb.components.dispersion.new_d4sc
dxtb.components.dispersion.new_dispersion
dxtb.components.dispersion.DispersionD3
dxtb.components.dispersion.DispersionD4
dxtb.components.dispersion.DispersionD4SC
Halogen
dxtb.components.halogen.new_halogen
dxtb.components.halogen.Halogen
Repulsion
dxtb.components.repulsion.new_repulsion
dxtb.components.repulsion.Repulsion
Interactions
Coulomb
dxtb.components.coulomb.new_aes2
dxtb.components.coulomb.new_es2
dxtb.components.coulomb.new_es3
dxtb.components.coulomb.AES2
dxtb.components.coulomb.ES2
dxtb.components.coulomb.ES3
Fields
dxtb.components.field.new_efield
dxtb.components.field.new_efield_grad
dxtb.components.field.ElectricField
dxtb.components.field.ElectricFieldGrad
Solvation
dxtb.components.solvation.new_solvation
dxtb.components.solvation.GeneralizedBorn
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dxtb.integrals.wrappers.dipint
dxtb.integrals.wrappers.hcore
dxtb.integrals.wrappers.overlap
dxtb.integrals.wrappers.quadint
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Modules
dxtb
dxtb.kill_timer
dxtb.Calculator
dxtb.IndexHelper
dxtb.Param
dxtb.ParamModule
dxtb.calculators
dxtb.calculators.AnalyticalCalculator
dxtb.calculators.AutogradCalculator
dxtb.calculators.EnergyCalculator
dxtb.calculators.GFN1Calculator
dxtb.calculators.GFN2Calculator
dxtb.calculators.NumericalCalculator
dxtb.components
dxtb.components.base
dxtb.components.coulomb
dxtb.components.dispersion
dxtb.components.field
dxtb.components.halogen
dxtb.components.repulsion
dxtb.components.solvation
dxtb.config
dxtb.config.Config
dxtb.config.ConfigCache
dxtb.config.ConfigCacheStore
dxtb.config.ConfigFermi
dxtb.config.ConfigIntegrals
dxtb.config.ConfigSCF
dxtb.integrals
dxtb.integrals.factories
dxtb.integrals.types
dxtb.integrals.wrappers
dxtb.labels
dxtb.typing
dxtb.typing.DD
dxtb.typing.Slicers
dxtb.typing.TensorLike
dxtb.labels
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