sk_builder.models

Pydantic models for the sk_builder module.

FIXME: API documentation only hidden, since it does not provide a good representation fo the pydantic models.

@private

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class SerializedOperator(pydantic.main.BaseModel):

Model for serialized operator.

This represents a serialized operator in terms of a filename which contains numpy arrays serialized via numpy's savez_compressed function. Moreover, it contains the number of contributions to the so-called "offdiagonals" of the operator for both the full operator including boundary terms and the operator in the bulk only.

model_config: ClassVar[pydantic.config.ConfigDict] = {}

Configuration for the model, should be a dictionary conforming to [ConfigDict][pydantic.config.ConfigDict].

class SPDSStarOrbitalsEnergies(pydantic.main.BaseModel):

Model for SPDS* orbital energies.

model_config: ClassVar[pydantic.config.ConfigDict] = {}

Configuration for the model, should be a dictionary conforming to [ConfigDict][pydantic.config.ConfigDict].

class SPDSstarHoppingAmplitudes(pydantic.main.BaseModel):

Model for SPDS* hopping amplitudes energies.

Hopping amplitudes are assumed to be given at the equilibrium lattice constant.

model_config: ClassVar[pydantic.config.ConfigDict] = {}

Configuration for the model, should be a dictionary conforming to [ConfigDict][pydantic.config.ConfigDict].

class SPDSstarHarrisonParameters(pydantic.main.BaseModel):

Model for SPDS* Harrison parameters.

Parametrizing the dependence on the bond length characterized by the deviation from the equilibrium bond length.

model_config: ClassVar[pydantic.config.ConfigDict] = {}

Configuration for the model, should be a dictionary conforming to [ConfigDict][pydantic.config.ConfigDict].

class SPDSstarCrystalFieldCorrectionAlpha(pydantic.main.BaseModel):

Model for alpha contribution to crystal field corrections.

model_config: ClassVar[pydantic.config.ConfigDict] = {}

Configuration for the model, should be a dictionary conforming to [ConfigDict][pydantic.config.ConfigDict].

class SPDSstarCrystalFieldCorrectionBeta(pydantic.main.BaseModel):

Model for beta contribution to crystal field corrections.

model_config: ClassVar[pydantic.config.ConfigDict] = {}

Configuration for the model, should be a dictionary conforming to [ConfigDict][pydantic.config.ConfigDict].

class SlaterKosterParameters(pydantic.main.BaseModel):

Model for Slater-Koster tight-binding parameters.

model_config: ClassVar[pydantic.config.ConfigDict] = {}

Configuration for the model, should be a dictionary conforming to [ConfigDict][pydantic.config.ConfigDict].

@dataclass
class OffDiagonalContribution:

Model for off-diagonal contribution to the Hamiltonian.