Index

A

adapt_datetime() (dftfit.db.table.DatabaseManager static method) adapt_json() (dftfit.db.table.DatabaseManager static method)

as_numpy_array() (dftfit.schema.training.ElasticConstantTrainingSetSchema method) (dftfit.schema.training.LatticeConstantTrainingSetSchema method)

B

BaseSchema (class in dftfit.schema.base)

bounds (dftfit.parameter.FloatParameter attribute) BulkModulusTrainingSetSchema (class in dftfit.schema.training)

C

check_unknown_fields() (dftfit.schema.base.BaseSchema method) ConfigurationSchema (class in dftfit.schema.configuration) connection (dftfit.db.table.DatabaseManager attribute)

ConstraintSchema (class in dftfit.schema.potential) convert_datetime() (dftfit.db.table.DatabaseManager static method) convert_json() (dftfit.db.table.DatabaseManager static method) create_tables() (dftfit.db.table.DatabaseManager method)

D

DatabaseManager (class in dftfit.db.table) dftfit (module) dftfit.data (module) dftfit.db.actions (module) dftfit.db.table (module) dftfit.logging (module) dftfit.parameter (module)

dftfit.schema (module) dftfit.schema.base (module) dftfit.schema.configuration (module) dftfit.schema.fields (module) dftfit.schema.potential (module) dftfit.schema.training (module) DisplacementEnergiesTrainingSetSchema (class in dftfit.schema.training)

E

ElasticConstantTrainingSetSchema (class in dftfit.schema.training)

F

fixed (dftfit.parameter.FloatParameter attribute)

FloatParameter (class in dftfit.parameter) FloatParameterField (class in dftfit.schema.potential)

G

GroundStateTrainingSetSchema (class in dftfit.schema.training)

I

init_logging() (in module dftfit.logging)

K

KeyValueField (class in dftfit.schema.configuration)

KSPACE_TYPES (dftfit.schema.potential.KspaceSchema attribute) KspaceSchema (class in dftfit.schema.potential)

L

LatticeConstantTrainingSetSchema (class in dftfit.schema.training)

M

MeltingPointEnergiesTrainingSetSchema (class in dftfit.schema.training) MetadataSchema (class in dftfit.schema.configuration)

MTKSelectorSchema (class in dftfit.schema.training) MTKTrainingSetSchema (class in dftfit.schema.training)

O

opts (dftfit.schema.base.BaseSchema attribute) (dftfit.schema.configuration.ConfigurationSchema attribute) (dftfit.schema.configuration.MetadataSchema attribute) (dftfit.schema.potential.ConstraintSchema attribute) (dftfit.schema.potential.KspaceSchema attribute) (dftfit.schema.potential.PairPotentialSchema attribute) (dftfit.schema.potential.ParameterSchema attribute) (dftfit.schema.potential.ParametersSchema attribute) (dftfit.schema.potential.PotentialSchema attribute) (dftfit.schema.potential.PotentialSpecSchema attribute) (dftfit.schema.training.BulkModulusTrainingSetSchema attribute) (dftfit.schema.training.DisplacementEnergiesTrainingSetSchema attribute) (dftfit.schema.training.ElasticConstantTrainingSetSchema attribute) (dftfit.schema.training.GroundStateTrainingSetSchema attribute) (dftfit.schema.training.LatticeConstantTrainingSetSchema attribute) (dftfit.schema.training.MTKSelectorSchema attribute) (dftfit.schema.training.MTKTrainingSetSchema attribute) (dftfit.schema.training.MeltingPointEnergiesTrainingSetSchema attribute) (dftfit.schema.training.PointDefectsTrainingSetSchema attribute) (dftfit.schema.training.ShearModulusTrainingSetSchema attribute) (dftfit.schema.training.SiestaSelectorSchema attribute) (dftfit.schema.training.SiestaTrainingSetSchema attribute) (dftfit.schema.training.TrainingSchema attribute)

P

PAIR_POTENTIALS (dftfit.schema.potential.PairPotentialSchema attribute) PairPotentialSchema (class in dftfit.schema.potential) ParameterSchema (class in dftfit.schema.potential) ParametersSchema (class in dftfit.schema.potential)

PointDefectsTrainingSetSchema (class in dftfit.schema.training) PolyField (class in dftfit.schema.fields) PotentialSchema (class in dftfit.schema.potential) PotentialSpecSchema (class in dftfit.schema.potential)

R

register_types() (dftfit.db.table.DatabaseManager method)

S

ShearModulusTrainingSetSchema (class in dftfit.schema.training)

SiestaSelectorSchema (class in dftfit.schema.training) SiestaTrainingSetSchema (class in dftfit.schema.training)

T

trainging_property_schema_deserialization_disambiguation() (in module dftfit.schema.training)

training_property_schema_serialization_disambiguation() (in module dftfit.schema.training) TrainingSchema (class in dftfit.schema.training)

V

validate_schema (dftfit.schema.training.SiestaSelectorSchema attribute)

W

write_evaluation() (in module dftfit.db.actions) write_evaluations_batch() (in module dftfit.db.actions)

write_run_final() (in module dftfit.db.actions) write_run_initial() (in module dftfit.db.actions)