Index

A

a (httk.atomistic.CellParamsView property) (httk.atomistic.models.cell.CellParamsView property) (httk.atomistic.models.cell.params_view.CellParamsView property) ABSENT (in module httk.workflow.shell_bridge) absolute_url_for (httk.serve.web.widgets.core.WidgetContext attribute) (httk.serve.web.widgets.WidgetContext attribute) accept_any_pool (httk.workflow.TaskManager attribute) access_url (httk.core.DatasetDistribution attribute) (httk.core.datasets.DatasetDistribution attribute) (httk.serve.dsp.config.DspDatasetPublication property) (httk.serve.dsp.DistributionProfile attribute) (httk.serve.dsp.DspDatasetPublication property) (httk.serve.dsp.models.DistributionProfile attribute) accuracy_per_atom (httk.workflow.vasp.VaspPreparationOptions attribute) acknowledge_transfer() (httk.workflow.Workspace method) (in module httk.workflow.transfers) acos() (httk.core.vectors.fracvector.FracVectorBase method) (in module httk.core.exactmath) (in module httk.core.vectors.vectormath) acos_degrees() (httk.core.SurdScalar method) (httk.core.vectors.SurdScalar method) (httk.core.vectors.surdvector.SurdScalar method) acosh() (in module httk.core.vectors.vectormath) acquire_fsck() (in module httk.store.backend.mongo.leases) acquire_lease() (in module httk.store.backend.clickhouse.support) acquire_writer() (in module httk.store.backend.mongo.leases) action (httk.workflow.hygiene.Finding attribute) actionable (httk.workflow.WorkCensus property) actionable_count (httk.workflow.WorkCensus attribute) activation_id (httk.workflow.protocol.AttemptContext attribute) (httk.workflow.protocol.StateFrame property) (httk.workflow.runtime.AttemptContext attribute) activation_ordinal (httk.workflow.protocol.AttemptContext attribute) (httk.workflow.protocol.StateFrame property) (httk.workflow.runtime.AttemptContext attribute) activation_reason (httk.workflow.protocol.AttemptContext attribute) (httk.workflow.runtime.AttemptContext attribute) active (httk.store.store_common.SaveProjection attribute) active_collections() (in module httk.core.report) actual_columns() (in module httk.store.backend.clickhouse.support) (in module httk.store.backend.sql.layout) actual_schema_objects() (in module httk.store.backend.clickhouse.support) (in module httk.store.backend.sql.layout) actual_table_names() (in module httk.store.backend.sql.layout) adapt_result() (in module httk.core.loading) ADAPTER_EXECUTABLE (in module httk.workflow.adapters) ADAPTER_FORMAT (in module httk.workflow.adapters) adapter_from_providers() (in module httk.serve.optimade) (in module httk.serve.optimade.backend) (in module httk.serve.optimade.backend.providers) adapter_from_store() (in module httk.serve.optimade) (in module httk.serve.optimade.backend) (in module httk.serve.optimade.backend.stores) adapter_from_stores() (in module httk.serve.optimade) (in module httk.serve.optimade.backend) (in module httk.serve.optimade.backend.stores) ADAPTER_OPERATIONS (in module httk.workflow.adapters) add() (httk.serve.optimade.backend.memory_store.MemorySearcher method) (httk.serve.optimade.backend.protocols.Searcher method) (httk.serve.optimade.backend.Searcher method) (httk.serve.optimade.remote_query.RemoteSearcher method) (httk.serve.optimade.RemoteSearcher method) (httk.store.backend.mongo.searcher.MongoSearcher method) (httk.store.backend.sql.searcher.SqlSearcher method) (httk.store.federated_store.FederatedSearcher method) (httk.store.FederatedSearcher method) (httk.store.query.protocols.Searcher method) (httk.store.query.Searcher method) (httk.store.Searcher method) add_child() (httk.workflow.protocol.OutcomeDraft method) add_child_job() (httk.workflow.protocol.OutcomeDraft method) add_dispose_callback() (httk.store.backend.sql.engine.Backend method) add_identity() (in module httk.core.identity) add_offset() (httk.serve.optimade.backend.memory_store.MemorySearcher method) (httk.serve.optimade.backend.protocols.Searcher method) (httk.serve.optimade.backend.Searcher method) (httk.serve.optimade.remote_query.RemoteSearcher method) (httk.serve.optimade.RemoteSearcher method) (httk.store.backend.mongo.searcher.MongoSearcher method) (httk.store.backend.sql.searcher.SqlSearcher method) (httk.store.federated_store.FederatedSearcher method) (httk.store.FederatedSearcher method) (httk.store.query.protocols.Searcher method) (httk.store.query.Searcher method) (httk.store.Searcher method) add_phase() (httk.analyse.matsci.phase_diagrams.PhaseDiagramBuilder method) (httk.analyse.matsci.PhaseDiagramBuilder method) add_remote() (in module httk.workflow.adapters) add_report_file() (in module httk.core.report) add_sort() (httk.serve.optimade.backend.memory_store.MemorySearcher method) (httk.serve.optimade.backend.protocols.Searcher method) (httk.serve.optimade.backend.Searcher method) (httk.serve.optimade.remote_query.RemoteSearcher method) (httk.serve.optimade.RemoteSearcher method) (httk.store.backend.mongo.searcher.MongoSearcher method) (httk.store.backend.sql.searcher.SqlSearcher method) (httk.store.federated_store.FederatedSearcher method) (httk.store.FederatedSearcher method) (httk.store.query.protocols.Searcher method) (httk.store.query.Searcher method) (httk.store.Searcher method) add_structure() (httk.analyse.matsci.phase_diagrams.PhaseDiagramBuilder method) (httk.analyse.matsci.PhaseDiagramBuilder method) added_column_ddl() (in module httk.store.backend.sql.mapping) added_columns (httk.store.storage_layout.AdditiveUpgradePlan attribute) ADDITIVE_UPGRADE_HINT (in module httk.store.storage_layout) AdditiveUpgradePlan (class in httk.store.storage_layout) address (httk.core.entry_types.Reference attribute) (httk.core.Reference attribute) adopt() (httk.core.project.members.ProjectMemberHandler method) (httk.core.project.ProjectMemberHandler method) advance() (httk.workflow.Attempt method) (httk.workflow.sdk.Attempt method) advance_store_timestamp_mark() (in module httk.store.store_timestamp) advertised_properties (httk.serve.optimade.client.RemoteEntryType attribute) (httk.serve.optimade.RemoteEntryType attribute) affine_normalizer_coset_record() (in module httk.atomistic.data) AffineOperation (class in httk.atomistic) (class in httk.atomistic.symmetry) (class in httk.atomistic.symmetry.affine_operation) aflow_label (httk.atomistic.models.protostructure.api.ProtostructureAPI property) (httk.atomistic.models.protostructure.ProtostructureAPI property) after_response (httk.serve.http.openapi.app.OpenAPIResponse attribute) (httk.serve.http.openapi.binding.OperationContext attribute) (httk.serve.http.openapi.OpenAPIResponse attribute) (httk.serve.http.openapi.OperationContext attribute) age_seconds (httk.workflow.manifests.MaintenanceLock property) agreement (httk.serve.dsp.models.NegotiationRecord attribute) (httk.serve.dsp.NegotiationRecord attribute) agreement() (httk.serve.dsp.state.DspState method) agreement_id (httk.serve.dsp.models.TransferRecord attribute) (httk.serve.dsp.TransferRecord attribute) AgreementRecord (class in httk.serve.dsp) (class in httk.serve.dsp.models) alias (httk.workflow.scaffold.ResolvedWorkflow attribute) (httk.workflow.scaffold.WorkflowProvider attribute) alias() (httk.store.id_ledger.IdLedger method) (httk.store.IdLedger method) aliases (httk.serve.http.openapi.binding.OperationBinding attribute) (httk.serve.http.openapi.OperationBinding attribute) align (httk.serve.web.providers.TableColumn attribute) (httk.serve.web.TableColumn attribute) all (httk.workflow.ChildrenView attribute) (httk.workflow.sdk.ChildrenView attribute) ALL_ADVERTISED (in module httk.serve.optimade) (in module httk.serve.optimade.client) all_entries (httk.serve.optimade.schema.served.ServedSchema attribute) allow_cross_origin_pagination (httk.serve.optimade.client.OptimadeStore attribute) (httk.serve.optimade.OptimadeStore attribute) allowed_executors (httk.workflow.TaskManager attribute) allows_modes (httk.workflow.languages.cwl.WorkflowLanguage attribute) (httk.workflow.languages.httk_v1.WorkflowLanguage attribute) (httk.workflow.languages.jobflow.WorkflowLanguage attribute) (httk.workflow.languages.pwd.WorkflowLanguage attribute) (httk.workflow.languages.WorkflowLanguage attribute) alpha (httk.atomistic.CellParamsView property) (httk.atomistic.models.cell.CellParamsView property) (httk.atomistic.models.cell.params_view.CellParamsView property) alt_base (httk.serve.optimade.schema.served.ServedSchema attribute) alt_endpoints (httk.serve.optimade.schema.served.ServedSchema attribute) ALT_ID_COLUMN (in module httk.store.backend.sql.mapping) ALT_KIND_COLUMN (in module httk.store.backend.sql.mapping) alternate (httk.serve.dsp.catalogue.DspCatalogueRepresentation attribute) (httk.serve.dsp.DspCatalogueRepresentation attribute) ALTERNATIVE_ID_PATTERN (in module httk.core) (in module httk.core.entry_ids) ALTERNATIVE_KIND_PATTERN (in module httk.core) (in module httk.core.entry_ids) alternatives (httk.serve.optimade.model.request.ValidatedRequest attribute) (httk.serve.optimade.model.ValidatedRequest attribute) (httk.serve.optimade.ValidatedRequest attribute) always_false() (httk.core.storage.QueryContext method) (httk.core.storage.stored_properties.QueryContext method) (httk.serve.optimade.backend.memory_store.MemoryVariable method) (httk.serve.optimade.backend.protocols.SearchVariable method) (httk.serve.optimade.backend.SearchVariable method) (httk.store.backend.mongo.searcher.MongoVariable method) (httk.store.backend.sql.searcher.SqlVariable method) (httk.store.federated_store.FederatedVariable method) (httk.store.query.protocols.SearchVariable method) (httk.store.query.SearchVariable method) (httk.store.SearchVariable method) always_true() (httk.core.storage.QueryContext method) (httk.core.storage.stored_properties.QueryContext method) (httk.serve.optimade.backend.memory_store.MemoryVariable method) (httk.serve.optimade.backend.protocols.SearchVariable method) (httk.serve.optimade.backend.SearchVariable method) (httk.store.backend.mongo.searcher.MongoVariable method) (httk.store.backend.sql.searcher.SqlVariable method) (httk.store.federated_store.FederatedVariable method) (httk.store.query.protocols.SearchVariable method) (httk.store.query.SearchVariable method) (httk.store.SearchVariable method) AlwaysFalseNode (class in httk.store.backend.mongo.searcher) AlwaysTrueNode (class in httk.store.backend.mongo.searcher) amount (httk.atomistic.storage.CompositionAmountRecord attribute) (httk.atomistic.storage.NormalizedCompositionAmountRecord attribute) (httk.atomistic.storage.records.CompositionAmountRecord attribute) (httk.atomistic.storage.records.NormalizedCompositionAmountRecord attribute) amount_mapping (httk.atomistic.ChemicalComposition property) (httk.atomistic.Composition property) (httk.atomistic.composition.ChemicalComposition property) (httk.atomistic.models.formula.Composition property) (httk.atomistic.models.formula.composition.Composition property) amounts (httk.atomistic.ChemicalComposition attribute) (httk.atomistic.ChemicalFormula property) (httk.atomistic.ChemicalFormulaView property) (httk.atomistic.Composition attribute) (httk.atomistic.composition.ChemicalComposition attribute) (httk.atomistic.CompositionView property) (httk.atomistic.Formulatype property) (httk.atomistic.FormulatypeView property) (httk.atomistic.models.formula.api.ChemicalFormulaAPI property) (httk.atomistic.models.formula.ChemicalFormula property) (httk.atomistic.models.formula.ChemicalFormulaAPI property) (httk.atomistic.models.formula.ChemicalFormulaView property) (httk.atomistic.models.formula.Composition attribute) (httk.atomistic.models.formula.composition.Composition attribute) (httk.atomistic.models.formula.composition_view.CompositionView property) (httk.atomistic.models.formula.CompositionView property) (httk.atomistic.models.formula.formula.ChemicalFormula property) (httk.atomistic.models.formula.formula_string.FormulaString property) (httk.atomistic.models.formula.formula_view.ChemicalFormulaView property) (httk.atomistic.models.formula.FormulaString property) (httk.atomistic.models.formula.Formulatype property) (httk.atomistic.models.formula.formulatype.Formulatype property) (httk.atomistic.models.formula.formulatype_string.FormulatypeString property) (httk.atomistic.models.formula.formulatype_view.FormulatypeView property) (httk.atomistic.models.formula.FormulatypeString property) (httk.atomistic.models.formula.FormulatypeView property) (httk.atomistic.models.formula.plain.PlainComposition property) (httk.atomistic.models.formula.record.RecordComposition property) (httk.atomistic.models.formula.structure.StructureComposition property) (httk.atomistic.models.formula.wyckoff.WyckoffComposition property) (httk.atomistic.storage.ChemicalCompositionRecord attribute) (httk.atomistic.storage.NormalizedCompositionRecord attribute) (httk.atomistic.storage.records.ChemicalCompositionRecord attribute) (httk.atomistic.storage.records.NormalizedCompositionRecord attribute) amounts_precision (httk.atomistic.ChemicalComposition attribute) (httk.atomistic.composition.ChemicalComposition attribute) and_() (httk.core.storage.QueryContext method) (httk.core.storage.stored_properties.QueryContext method) AndNode (class in httk.store.backend.mongo.searcher)

angles (httk.atomistic.Cell property) (httk.atomistic.CellParams property) (httk.atomistic.CellView property) (httk.atomistic.models.cell.api.CellAPI property) (httk.atomistic.models.cell.Cell property) (httk.atomistic.models.cell.cell.Cell property) (httk.atomistic.models.cell.CellAPI property) (httk.atomistic.models.cell.CellParams property) (httk.atomistic.models.cell.CellView property) (httk.atomistic.models.cell.numeric.NumericCell property) (httk.atomistic.models.cell.NumericCell property) (httk.atomistic.models.cell.params.CellParams property) (httk.atomistic.models.cell.view.CellView property) annote (httk.core.entry_types.Reference attribute) (httk.core.Reference attribute) AnonymizedStructure (class in httk.atomistic.models.structuretype.anonymized) anonymous_formula (httk.atomistic.models.protostructure.api.ProtostructureAPI property) (httk.atomistic.models.protostructure.ProtostructureAPI property) (httk.atomistic.models.prototype.api.PrototypeAPI property) (httk.atomistic.models.prototype.PrototypeAPI property) (httk.atomistic.models.structuretype.api.StructuretypeAPI property) (httk.atomistic.models.structuretype.StructuretypeAPI property) anonymous_symbol() (in module httk.atomistic.models.formula) (in module httk.atomistic.models.formula.notation) AnonymousFormula (in module httk.atomistic) (in module httk.atomistic.models.formula) AnonymousFormulaString (in module httk.atomistic.models.formula) AnonymousFormulaView (in module httk.atomistic) (in module httk.atomistic.models.formula) AnonymousStructure (in module httk.atomistic) AnonymousStructureLike (in module httk.atomistic) AnonymousStructureView (in module httk.atomistic) any_to_fraction() (in module httk.core.exactmath) api_version (httk.serve.optimade.client.OptimadeStore attribute) (httk.serve.optimade.OptimadeStore attribute) app (httk.serve.ASGIAppMount attribute) (httk.serve.composition.ASGIAppMount attribute) append() (httk.workflow.protocol.RunLog method) append_record() (httk.workflow.protocol.RunLog static method) apply() (httk.atomistic.AffineOperation method) (httk.atomistic.symmetry.affine_operation.AffineOperation method) (httk.atomistic.symmetry.AffineOperation method) apply_definition_prefix() (in module httk.core) (in module httk.core.property_definitions) apply_leaf_codec() (in module httk.core.vectors.leaf_codecs) apply_vasp_remedy() (in module httk.workflow.vasp) apply_wrapped() (httk.atomistic.AffineOperation method) (httk.atomistic.symmetry.affine_operation.AffineOperation method) (httk.atomistic.symmetry.AffineOperation method) argmax() (httk.core.vectors.fracvector.FracVectorBase method) argmin() (httk.core.vectors.fracvector.FracVectorBase method) argv (httk.workflow.runtime.CommandResult attribute) (httk.workflow.supervision.CheckerSpec attribute) (httk.workflow.supervision.ProcessReport attribute) artifact_excluder() (in module httk.core.building) artifact_files (httk.core.building.BuildResult attribute) artifacts (httk.core.building.BuildSpec attribute) (httk.core.provenance.Run attribute) (httk.core.Run attribute) (httk.workflow.scaffold.BuildSpec attribute) as_document() (httk.serve.dsp.DspProtocolError method) (httk.serve.dsp.models.DspProtocolError method) as_entry() (httk.core.project.sealing.SealVerification method) (httk.core.project.SealVerification method) as_mapping() (httk.core.project.manifests.ManifestVerification method) (httk.core.project.ManifestVerification method) (httk.workflow.collecting.JobRecord method) (httk.workflow.hygiene.Finding method) (httk.workflow.JobRecord method) (httk.workflow.manifests.ManifestVerification method) (httk.workflow.protocol.ChildReference method) (httk.workflow.protocol.Failure method) (httk.workflow.protocol.JobSpec method) (httk.workflow.protocol.RetentionPolicy method) (httk.workflow.protocol.StateFrame method) (httk.workflow.protocol.WorkspacePolicy method) (httk.workflow.scaffold.ScaffoldedJob method) (httk.workflow.ScaffoldedJob method) (httk.workflow.supervision.Diagnostic method) (httk.workflow.supervision.ProcessReport method) (httk.workflow.supervision.SourceEvent method) (httk.workflow.vasp.PotcarAssembly method) (httk.workflow.vasp.PotcarChoice method) (httk.workflow.vasp.VaspRemedyDecision method) (httk.workflow.vasp.VaspRunReport method) as_of (httk.serve.optimade.model.request.ValidatedParameters attribute) (httk.serve.optimade.model.ValidatedParameters attribute) (httk.serve.optimade.ValidatedParameters attribute) as_optimade() (httk.core.EntryTypeDefinition method) (httk.core.property_definitions.EntryTypeDefinition method) (httk.core.property_definitions.PropertyDefinition method) (httk.core.PropertyDefinition method) as_query_dict() (httk.serve.optimade.model.request.ValidatedParameters method) (httk.serve.optimade.model.ValidatedParameters method) (httk.serve.optimade.ValidatedParameters method) ASEAtoms (class in httk.atomistic) (class in httk.atomistic.integrations) (class in httk.atomistic.integrations.ase) (class in httk.atomistic.integrations.ase.models) ASEAtomsProtocol (class in httk.atomistic) (class in httk.atomistic.integrations) (class in httk.atomistic.integrations.ase) (class in httk.atomistic.integrations.ase.models) ASEAtomsView (class in httk.atomistic.integrations.ase.view) ASGIAppMount (class in httk.serve) (class in httk.serve.composition) asin() (httk.core.vectors.fracvector.FracVectorBase method) (in module httk.core.exactmath) (in module httk.core.vectors.vectormath) asinh() (in module httk.core.vectors.vectormath) assemble_potcar() (in module httk.workflow.vasp) assemblies (httk.atomistic.ASUStructureView property) (httk.atomistic.FundamentalDomainStructure property) (httk.atomistic.FundamentalDomainStructureRecord attribute) (httk.atomistic.models.structure.asu.FundamentalDomainStructure property) (httk.atomistic.models.structure.asu_view.ASUStructureView property) (httk.atomistic.models.structure.FundamentalDomainStructure property) (httk.atomistic.models.structure.numeric_view.NumericUnitcellStructureView property) (httk.atomistic.models.structure.NumericUnitcellStructureView property) (httk.atomistic.models.structure.optimade.OptimadeStructure property) (httk.atomistic.models.structure.OptimadeStructure property) (httk.atomistic.models.structure.record.RecordStructure property) (httk.atomistic.models.structure.RecordStructure property) (httk.atomistic.models.structure.semantics.StructureSemanticsMixin property) (httk.atomistic.models.structure.StructureSemanticsMixin property) (httk.atomistic.models.structure.unitcell_view.UnitcellStructureView property) (httk.atomistic.models.structure.UnitcellStructureView property) (httk.atomistic.NumericUnitcellStructureView property) (httk.atomistic.OptimadeStructure property) (httk.atomistic.storage.FundamentalDomainStructureRecord attribute) (httk.atomistic.storage.records.FundamentalDomainStructureRecord attribute) (httk.atomistic.storage.records.UnitcellStructureRecord attribute) (httk.atomistic.storage.UnitcellStructureRecord attribute) (httk.atomistic.UnitcellStructureRecord attribute) (httk.atomistic.UnitcellStructureView property) Assembly (class in httk.atomistic) (class in httk.atomistic.composition) AssemblyGroupRecord (class in httk.atomistic.storage) (class in httk.atomistic.storage.records) AssemblyRecord (class in httk.atomistic.storage) (class in httk.atomistic.storage.records) assets (httk.serve.web.model.page.PageResult attribute) (httk.serve.web.model.PageResult attribute) (httk.serve.web.widgets.core.WidgetRenderResult attribute) (httk.serve.web.widgets.WidgetRenderResult attribute) assign() (httk.store.id_ledger.IdLedger method) (httk.store.IdLedger method) assignee (httk.serve.dsp.AgreementRecord attribute) (httk.serve.dsp.models.AgreementRecord attribute) assigner (httk.serve.dsp.AgreementRecord attribute) (httk.serve.dsp.models.AgreementRecord attribute) asu (httk.atomistic.ASUStructureView property) (httk.atomistic.ConventionalCellResult attribute) (httk.atomistic.FundamentalDomainStructure property) (httk.atomistic.LiftResult attribute) (httk.atomistic.models.structure.asu.FundamentalDomainStructure property) (httk.atomistic.models.structure.asu_view.ASUStructureView property) (httk.atomistic.models.structure.FundamentalDomainStructure property) (httk.atomistic.models.structure.record.RecordStructure property) (httk.atomistic.models.structure.RecordStructure property) (httk.atomistic.SubgroupRepresentationResult attribute) (httk.atomistic.symmetry.lift.LiftResult attribute) (httk.atomistic.symmetry.standardization.ConventionalCellResult attribute) (httk.atomistic.symmetry.subgroups.SubgroupRepresentationResult attribute) asu_structure_from_cif() (in module httk.atomistic) (in module httk.atomistic.cif_structures) asu_structures_from_cif() (in module httk.atomistic) (in module httk.atomistic.cif_structures) AsuCell (class in httk.atomistic.io.cif.cif_parser) ASUStructure (class in httk.atomistic) (class in httk.atomistic.models.structure) (class in httk.atomistic.models.structure.asu) ASUStructureRecord (class in httk.atomistic) (class in httk.atomistic.storage) (class in httk.atomistic.storage.records) ASUStructureView (class in httk.atomistic) (class in httk.atomistic.models.structure.asu_view) ASUTemplate (class in httk.atomistic) (class in httk.atomistic.models.structuretype) (class in httk.atomistic.models.structuretype.fundamental) asymmetric_unit_structure_properties() (in module httk.atomistic.storage.stored_properties) atan() (in module httk.core.exactmath) (in module httk.core.vectors.vectormath) atan2() (in module httk.core.exactmath) (in module httk.core.vectors.vectormath) atanh() (in module httk.core.vectors.vectormath) atime (httk.core.entry_types.File attribute) (httk.core.File attribute) (httk.core.FileRecord attribute) (httk.core.files.FileRecord attribute) (httk.workflow.languages.cwl.FileRecord attribute) atomic_number() (in module httk.atomistic) (in module httk.atomistic.elements) atomic_upsert (httk.store.backend.sql.layout.BackendFacts attribute) attach_structure_property_projections() (in module httk.atomistic.storage.stored_properties) attached (httk.atomistic.models.species.api.SpeciesAPI property) (httk.atomistic.models.species.plain.PlainSpecies property) (httk.atomistic.models.species.PlainSpecies property) (httk.atomistic.models.species.record.RecordSpecies property) (httk.atomistic.models.species.Species attribute) (httk.atomistic.models.species.species.Species attribute) (httk.atomistic.models.species.SpeciesAPI property) (httk.atomistic.Species attribute) (httk.atomistic.storage.records.SpeciesRecord attribute) (httk.atomistic.storage.SpeciesRecord attribute) Attempt (class in httk.workflow) (class in httk.workflow.sdk) attempt_control (httk.workflow.protocol.StateFrame property) attempt_control_days (httk.workflow.protocol.RetentionPolicy attribute) attempt_id (httk.workflow.protocol.AttemptContext attribute) (httk.workflow.protocol.StateFrame property) (httk.workflow.runtime.AttemptContext attribute) attempt_ordinal (httk.workflow.protocol.AttemptContext attribute) (httk.workflow.protocol.StateFrame property) (httk.workflow.runtime.AttemptContext attribute) attempt_reason (httk.workflow.protocol.AttemptContext attribute) (httk.workflow.runtime.AttemptContext attribute) AttemptContext (class in httk.workflow.protocol) (class in httk.workflow.runtime) AttemptLaunch (class in httk.workflow.executors) ATTEMPTS_DIRECTORY (in module httk.workflow.protocol) audit_duplicate_ids() (httk.store.backend.sql.stored_federation.StoredEntryFederation method) authors (httk.core.entry_types.Reference attribute) (httk.core.Reference attribute) auto_definition() (in module httk.store.backend.mongo.entry_provider) (in module httk.store.backend.sql.entry_provider) AUTOA (in module httk.atomistic.wavefunction) automatic_batch() (httk.serve.dsp.DspProvider method) (httk.serve.dsp.provider.DspProvider method) automatic_kpoint_grid() (in module httk.workflow.vasp) automatic_progression (httk.serve.dsp.config.DspProviderConfig attribute) (httk.serve.dsp.DspProviderConfig attribute) available() (httk.serve.web.widgets.core.WidgetRegistry method) (httk.serve.web.widgets.loader.SiteWidgetLoader method) (httk.serve.web.widgets.SiteWidgetLoader method) (httk.serve.web.widgets.WidgetRegistry method) available_languages() (in module httk.workflow.languages) available_licenses (httk.serve.optimade.model.config.OptimadeConfig attribute) (httk.serve.optimade.model.OptimadeConfig attribute) (httk.serve.optimade.OptimadeConfig attribute) available_licenses_for_entries (httk.serve.optimade.model.config.OptimadeConfig attribute) (httk.serve.optimade.model.OptimadeConfig attribute) (httk.serve.optimade.OptimadeConfig attribute) available_templates() (in module httk.core.project.templates)

B

b (httk.atomistic.CellParamsView property) (httk.atomistic.models.cell.CellParamsView property) (httk.atomistic.models.cell.params_view.CellParamsView property) (httk.core.datastream.bytestream_bytes.BytestreamBytes attribute) (httk.core.datastream.BytestreamBytes attribute) Backend (class in httk.core) (class in httk.core.views) (class in httk.core.views.backend) (class in httk.store.backend.sql.engine) backend (httk.core.optimade.entries.OptimadeEntryView property) (httk.core.optimade.OptimadeEntryView property) (httk.core.register.entries.OptimadeEntryBinding attribute) (httk.core.register.OptimadeEntryBinding attribute) (httk.serve.optimade.client.RemoteEntryType attribute) (httk.serve.optimade.RemoteEntryType attribute) backend_class (httk.core.optimade.CalculationView attribute) (httk.core.optimade.entries.CalculationView attribute) (httk.core.optimade.entries.FileView attribute) (httk.core.optimade.entries.OptimadeEntryView attribute) (httk.core.optimade.entries.ReferenceView attribute) (httk.core.optimade.FileView attribute) (httk.core.optimade.OptimadeEntryView attribute) (httk.core.optimade.ReferenceView attribute) backend_classes (httk.atomistic.models.cell.backend.CellBackend attribute) (httk.atomistic.models.cell.CellBackend attribute) (httk.atomistic.models.formula.backend.ChemicalFormulaBackend attribute) (httk.atomistic.models.formula.ChemicalFormulaBackend attribute) (httk.atomistic.models.moments.backend.SiteMomentsBackend attribute) (httk.atomistic.models.protostructure.backend.ProtostructureBackend attribute) (httk.atomistic.models.protostructure.ProtostructureBackend attribute) (httk.atomistic.models.prototype.backend.PrototypeBackend attribute) (httk.atomistic.models.prototype.PrototypeBackend attribute) (httk.atomistic.models.sites.backend.SitesBackend attribute) (httk.atomistic.models.sites.SitesBackend attribute) (httk.atomistic.models.species.backend.SpeciesBackend attribute) (httk.atomistic.models.species.SpeciesBackend attribute) (httk.atomistic.models.structure.backend.StructureBackend attribute) (httk.atomistic.models.structure.StructureBackend attribute) (httk.atomistic.models.structuretype.backend.StructuretypeBackend attribute) (httk.atomistic.models.structuretype.StructuretypeBackend attribute) (httk.atomistic.models.trajectory.backend.TrajectoryBackend attribute) (httk.atomistic.models.trajectory.TrajectoryBackend attribute) (httk.core.Backend attribute) (httk.core.datastream.bytestream_backend.BytestreamBackend attribute) (httk.core.datastream.BytestreamBackend attribute) (httk.core.datastream.textstream_backend.TextstreamBackend attribute) (httk.core.datastream.TextstreamBackend attribute) (httk.core.vectors.vector_backend.VectorBackend attribute) (httk.core.vectors.VectorBackend attribute) (httk.core.views.Backend attribute) (httk.core.views.backend.Backend attribute) backend_facts (httk.store.backend.sql.store.SqlStore property) backend_facts_for_dialect() (in module httk.store.backend.sql.layout) BackendAdapter (class in httk.serve.optimade) (class in httk.serve.optimade.backend) (class in httk.serve.optimade.backend.adapter) BackendFacts (class in httk.store.backend.sql.layout) backing (httk.store.backend.mongo.stored_properties.MongoStoredPropertyCandidateStream attribute) (httk.store.backend.sql.provenance_edges.StrongLinkFamily attribute) (httk.store.backend.sql.stored_federation.StoredEntryOrigin attribute) (httk.store.backend.sql.stored_properties.StoredPropertySqlCandidateStream attribute) backing_dispatch_column_name() (in module httk.store.backend.sql.mapping) backing_name (httk.store.backend.mongo.stored_properties.MongoStoredPropertyCandidateStream attribute) (httk.store.backend.sql.stored_properties.StoredPropertySqlCandidateStream attribute) backing_prefixes (httk.store.backend.sql.stored_properties.RelationshipSourceMap attribute) backings (httk.store.backend.mongo.stored_properties.MongoStoredPropertyPlan property) (httk.store.backend.sql.stored_properties.StoredPropertySqlPlan property) backward_lift() (in module httk.atomistic) (in module httk.atomistic.symmetry.lift) base (httk.store.EntryIdScheme attribute) (httk.store.store_common.EntryIdScheme attribute) base_template_name (httk.serve.web.templating.base.TemplateRenderInput attribute) (httk.serve.web.templating.TemplateRenderInput attribute) base_url (httk.serve.optimade.client.OptimadeStore attribute) (httk.serve.optimade.OptimadeStore attribute) baseurl (httk.serve.optimade.model.RawRequest attribute) (httk.serve.optimade.model.request.RawRequest attribute) (httk.serve.optimade.model.request.ValidatedRequest attribute) (httk.serve.optimade.model.ValidatedRequest attribute) (httk.serve.optimade.RawRequest attribute) (httk.serve.optimade.ValidatedRequest attribute) (httk.serve.web.model.config.SiteConfig attribute) (httk.serve.web.model.SiteConfig attribute) basis (httk.atomistic.Cell property) (httk.atomistic.CellParams property) (httk.atomistic.io.cif.cif_parser.AsuCell attribute) (httk.atomistic.models.cell.api.CellAPI property) (httk.atomistic.models.cell.Cell property) (httk.atomistic.models.cell.cell.Cell property) (httk.atomistic.models.cell.CellAPI property) (httk.atomistic.models.cell.CellParams property) (httk.atomistic.models.cell.numeric.NumericCell property) (httk.atomistic.models.cell.NumericCell property) (httk.atomistic.models.cell.params.CellParams property) (httk.atomistic.models.cell.plain.PlainCell property) (httk.atomistic.models.cell.PlainCell property) (httk.atomistic.models.cell.record.RecordCell property) (httk.atomistic.storage.CellRecord attribute) (httk.atomistic.storage.records.CellRecord attribute) basis_precision (httk.atomistic.FundamentalDomainTemplate property) (httk.atomistic.io.cif.cif_parser.AsuCell attribute) (httk.atomistic.models.structure.optimade.OptimadeStructure property) (httk.atomistic.models.structure.OptimadeStructure property) (httk.atomistic.models.structure.symops.SymopsStructure property) (httk.atomistic.models.structure.unitcell.UnitcellStructure property) (httk.atomistic.models.structure.UnitcellStructure property) (httk.atomistic.models.structuretype.anonymized.AnonymizedStructure property) (httk.atomistic.models.structuretype.api.StructuretypeAPI property) (httk.atomistic.models.structuretype.fundamental.FundamentalDomainTemplate property) (httk.atomistic.models.structuretype.FundamentalDomainTemplate property) (httk.atomistic.models.structuretype.Structuretype property) (httk.atomistic.models.structuretype.structuretype.Structuretype property) (httk.atomistic.models.structuretype.StructuretypeAPI property) (httk.atomistic.models.structuretype.view.StructuretypeView property) (httk.atomistic.OptimadeStructure property) (httk.atomistic.Structuretype property) (httk.atomistic.StructuretypeView property) (httk.atomistic.SymopsStructure property) (httk.atomistic.UnitcellStructure property) basis_to_setting() (httk.atomistic.SettingTransform method) (httk.atomistic.symmetry.setting_transform.SettingTransform method) (httk.atomistic.symmetry.SettingTransform method)

basis_to_standard() (httk.atomistic.SettingTransform method) (httk.atomistic.symmetry.setting_transform.SettingTransform method) (httk.atomistic.symmetry.SettingTransform method) best_quality_ignoring_parameterised() (in module httk.serve.http) (in module httk.serve.http.accept) best_quality_matching_parameters() (in module httk.serve.http) (in module httk.serve.http.accept) best_rational_in_interval() (in module httk.core.exactmath) beta (httk.atomistic.CellParamsView property) (httk.atomistic.models.cell.CellParamsView property) (httk.atomistic.models.cell.params_view.CellParamsView property) between() (httk.store.query.slicer.SlicerColumn method) (httk.store.query.SlicerColumn method) bib_type (httk.core.entry_types.Reference attribute) (httk.core.Reference attribute) bind_operation() (in module httk.serve.http.openapi) (in module httk.serve.http.openapi.binding) binding (httk.serve.optimade.client.RemoteEntryType attribute) (httk.serve.optimade.RemoteEntryType attribute) bns_label (httk.atomistic.models.structure.symops.SymopsStructure property) (httk.atomistic.SymopsStructure property) bns_number (httk.atomistic.models.structure.symops.SymopsStructure property) (httk.atomistic.SymopsStructure property) body (httk.serve.http.openapi.app.OpenAPIRequest attribute) (httk.serve.http.openapi.app.OpenAPIResponse attribute) (httk.serve.http.openapi.OpenAPIRequest attribute) (httk.serve.http.openapi.OpenAPIResponse attribute) (httk.serve.web.model.page.PageResult attribute) (httk.serve.web.model.PageResult attribute) body_bytes (httk.core.project.Seal attribute) (httk.core.project.sealing.Seal attribute) body_sha256 (httk.core.project.Seal attribute) (httk.core.project.sealing.Seal attribute) booktitle (httk.core.entry_types.Reference attribute) (httk.core.Reference attribute) bootstrap_fence() (in module httk.store.backend.clickhouse.support) BoundOperation (class in httk.serve.http.openapi) (class in httk.serve.http.openapi.binding) BoundParameter (class in httk.serve.http.openapi) (class in httk.serve.http.openapi.binding) branch (httk.core.docs.CommitSiteResult attribute) (httk.core.docs.gitsite.CommitSiteResult attribute) branches (httk.atomistic.symmetry.wyckoff.WyckoffPosition property) (httk.atomistic.symmetry.WyckoffPosition property) (httk.atomistic.WyckoffPosition property) build (httk.core.plugins.installed.PluginManifest attribute) (httk.core.plugins.manifest.PluginManifest attribute) (httk.core.plugins.PluginManifest attribute) (httk.workflow.scaffold.ResolvedWorkflow attribute) (httk.workflow.scaffold.WorkflowProvider attribute) build() (httk.analyse.matsci.phase_diagrams.PhaseDiagramBuilder method) (httk.analyse.matsci.PhaseDiagramBuilder method) build_ecosystem_manifest() (in module httk.core.docs) (in module httk.core.docs.ecosystem) build_page_manifest() (in module httk.core.docs) (in module httk.core.docs.manifests) build_parser() (in module httk.atomistic.cli) (in module httk.core.docs.cli) (in module httk.core.plugins.cli) (in module httk.core.project.cli) (in module httk.serve.web.cli) build_plugin() (in module httk.core.plugins) (in module httk.core.plugins.install) build_profile() (httk.serve.dsp.catalogue.DspCataloguePolicy method) (httk.serve.dsp.catalogue.MinimalDspCataloguePolicy method) (httk.serve.dsp.DspCataloguePolicy method) (httk.serve.dsp.MinimalDspCataloguePolicy method) build_seal_body() (in module httk.core.project) (in module httk.core.project.sealing) build_served_schema() (in module httk.serve.optimade.schema.served) build_supercell() (in module httk.atomistic) (in module httk.atomistic.supercell) build_version_manifest() (in module httk.core.docs) (in module httk.core.docs.manifests) BuildError BuildResult (class in httk.core.building) BuildSpec (class in httk.core.building) (class in httk.workflow.scaffold) BUILTIN_WIDGETS (in module httk.serve.web.widgets.core) bulk_ingest() (httk.store.backend.sql.store.SqlStore method) bulk_ingest_finalize_default (httk.store.backend.sql.store.SqlStore attribute) BulkIngest (class in httk.store.backend.sql.bulk) bundle (httk.workflow.adapters.RemoteTarget attribute) (httk.workflow.transfers.TransferCandidate attribute) bundled_v1_root() (in module httk.workflow.compat.v1) byte_size (httk.core.DatasetDistribution attribute) (httk.core.datasets.DatasetDistribution attribute) (httk.serve.dsp.config.DspDatasetPublication property) (httk.serve.dsp.DistributionProfile attribute) (httk.serve.dsp.DspDatasetPublication property) (httk.serve.dsp.models.DistributionProfile attribute) BytestreamAPI (class in httk.core.datastream.bytestream_api) BytestreamBackend (class in httk.core.datastream) (class in httk.core.datastream.bytestream_backend) BytestreamBytes (class in httk.core.datastream) (class in httk.core.datastream.bytestream_bytes) BytestreamBytesView (class in httk.core.datastream) (class in httk.core.datastream.bytestream_bytes_view) BytestreamCommon (class in httk.core.datastream) (class in httk.core.datastream.bytestream_common) BytestreamFile (class in httk.core.datastream) (class in httk.core.datastream.bytestream_file) BytestreamFilename (class in httk.core.datastream) (class in httk.core.datastream.bytestream_filename) BytestreamFilenameView (class in httk.core.datastream) (class in httk.core.datastream.bytestream_filename_view) BytestreamFileView (class in httk.core) (class in httk.core.datastream) (class in httk.core.datastream.bytestream_file_view) BytestreamLike (in module httk.core) (in module httk.core.datastream) (in module httk.core.datastream.bytestream_like) BytestreamRequest (class in httk.core.datastream) (class in httk.core.datastream.bytestream_request) BytestreamRequestView (class in httk.core.datastream) (class in httk.core.datastream.bytestream_request_view) BytestreamURL (class in httk.core.datastream) (class in httk.core.datastream.bytestream_url) BytestreamURLView (class in httk.core) (class in httk.core.datastream) (class in httk.core.datastream.bytestream_url_view) BytestreamView (class in httk.core.datastream) (class in httk.core.datastream.bytestream_view)

C

c (httk.atomistic.CellParamsView property) (httk.atomistic.models.cell.CellParamsView property) (httk.atomistic.models.cell.params_view.CellParamsView property) calculate_nbands() (in module httk.workflow.vasp) Calculation (class in httk.core) (class in httk.core.entry_types) CalculationEntryProvider (class in httk.store) (class in httk.store.entry_providers) CalculationView (class in httk.core.optimade) (class in httk.core.optimade.entries) call() (httk.workflow.Attempt method) (httk.workflow.sdk.Attempt method) callback_address (httk.serve.dsp.models.NegotiationRecord attribute) (httk.serve.dsp.models.TransferRecord attribute) (httk.serve.dsp.NegotiationRecord attribute) (httk.serve.dsp.TransferRecord attribute) callback_url (in module httk.serve.dsp) (in module httk.serve.dsp.callbacks) CallbackSender (in module httk.serve.dsp) (in module httk.serve.dsp.callbacks) CallbackTransportError (in module httk.serve.dsp) (in module httk.serve.dsp.callbacks) cancel_automatic() (httk.serve.dsp.DspProvider method) (httk.serve.dsp.provider.DspProvider method) cancel_grace_seconds (httk.workflow.TaskManager attribute) cancellation (httk.workflow.protocol.StateFrame property) candidate_searchers() (httk.store.backend.mongo.stored_properties.MongoStoredPropertyPlan method) (httk.store.backend.sql.stored_properties.StoredPropertySqlPlan method) canonical_asu() (in module httk.atomistic) (in module httk.atomistic.symmetry.canonical) canonical_dummy_assignment() (in module httk.atomistic.models.structuretype) (in module httk.atomistic.models.structuretype.anonymize) canonical_form() (in module httk.core.storage) (in module httk.core.storage.identity) canonical_label_map() (in module httk.atomistic.models.prototype.notation) canonical_predicate() (in module httk.store.backend.mongo.evaluator) canonical_protostructure() (httk.atomistic.models.structure.api.StructureAPI method) (httk.atomistic.models.structure.StructureAPI method) canonical_prototype() (httk.atomistic.models.structure.api.StructureAPI method) (httk.atomistic.models.structure.StructureAPI method) canonical_public_key() (in module httk.core.project) (in module httk.core.project.anchor) (in module httk.workflow.projects) canonical_uuid() (in module httk.workflow.protocol) canonicalize() (in module httk.atomistic) (in module httk.atomistic.symmetry.lift) canonicalize_full() (in module httk.atomistic) (in module httk.atomistic.symmetry.paths) capabilities (httk.workflow.languages.cwl.CwlNotes attribute) (httk.workflow.TaskManager attribute) capture_store_timestamp() (in module httk.store.store_timestamp) carried() (httk.workflow.protocol.StateFrame method) CARRIED_STATE_MEMBERS (in module httk.workflow.protocol) cartesian (httk.atomistic.integrations.vasp.io.xdatcar.XdatcarFile property) (httk.atomistic.integrations.vasp.io.XdatcarFile property) cartesian_moments (httk.atomistic.CartesianSiteMoments property) (httk.atomistic.CollinearSiteMoments property) (httk.atomistic.CrystalAxisSiteMoments property) (httk.atomistic.models.moments.api.SiteMomentsAPI property) (httk.atomistic.models.moments.cartesian.CartesianSiteMoments property) (httk.atomistic.models.moments.CartesianSiteMoments property) (httk.atomistic.models.moments.collinear.CollinearSiteMoments property) (httk.atomistic.models.moments.CollinearSiteMoments property) (httk.atomistic.models.moments.crystalaxis.CrystalAxisSiteMoments property) (httk.atomistic.models.moments.CrystalAxisSiteMoments property) cartesian_precision() (httk.atomistic.models.structure.unitcell.UnitcellStructure method) (httk.atomistic.models.structure.UnitcellStructure method) (httk.atomistic.UnitcellStructure method) cartesian_site_positions (httk.atomistic.models.structure.numeric_view.NumericUnitcellStructureView property) (httk.atomistic.models.structure.NumericUnitcellStructureView property) (httk.atomistic.models.structure.optimade.OptimadeStructure property) (httk.atomistic.models.structure.OptimadeStructure property) (httk.atomistic.models.structure.semantics.StructureSemanticsMixin property) (httk.atomistic.models.structure.StructureSemanticsMixin property) (httk.atomistic.NumericUnitcellStructureView property) (httk.atomistic.OptimadeStructure property) cartesian_sites() (httk.atomistic.FundamentalDomainStructure method) (httk.atomistic.FundamentalDomainTemplate method) (httk.atomistic.models.structure.asu.FundamentalDomainStructure method) (httk.atomistic.models.structure.FundamentalDomainStructure method) (httk.atomistic.models.structure.numeric_view.NumericUnitcellStructureView method) (httk.atomistic.models.structure.NumericUnitcellStructureView method) (httk.atomistic.models.structure.symops.SymopsStructure method) (httk.atomistic.models.structure.unitcell.UnitcellStructure method) (httk.atomistic.models.structure.UnitcellStructure method) (httk.atomistic.models.structuretype.fundamental.FundamentalDomainTemplate method) (httk.atomistic.models.structuretype.FundamentalDomainTemplate method) (httk.atomistic.models.structuretype.Structuretype method) (httk.atomistic.models.structuretype.structuretype.Structuretype method) (httk.atomistic.models.structuretype.view.StructuretypeView method) (httk.atomistic.NumericUnitcellStructureView method) (httk.atomistic.Structuretype method) (httk.atomistic.StructuretypeView method) (httk.atomistic.SymopsStructure method) (httk.atomistic.UnitcellStructure method) CartesianSiteMoments (class in httk.atomistic) (class in httk.atomistic.models.moments) (class in httk.atomistic.models.moments.cartesian) CartesianSiteMomentsView (class in httk.atomistic) (class in httk.atomistic.models.moments) (class in httk.atomistic.models.moments.cartesian_view) catalog_description (httk.serve.dsp.config.DspProviderConfig attribute) (httk.serve.dsp.DspProviderConfig attribute) catalog_id (httk.serve.dsp.config.DspProviderConfig attribute) (httk.serve.dsp.DspProviderConfig attribute) catalog_title (httk.serve.dsp.config.DspProviderConfig attribute) (httk.serve.dsp.DspProviderConfig attribute) catalogue() (httk.serve.dsp.DspProvider method) (httk.serve.dsp.provider.DspProvider method) catalogue_policy (httk.serve.dsp.DspProvider attribute) (httk.serve.dsp.provider.DspProvider attribute) CatalogueProfile (class in httk.serve.dsp) (class in httk.serve.dsp.models) category (httk.store.FilterTranslationError attribute) (httk.store.query.optimade_filters.FilterTranslationError attribute) ceil() (httk.core.vectors.fracvector.FracVectorBase method) (in module httk.core.vectors.vectormath) Cell (class in httk.atomistic) (class in httk.atomistic.models.cell) (class in httk.atomistic.models.cell.cell) cell (httk.atomistic.ASEAtoms property) (httk.atomistic.CrystalAxisSiteMoments property) (httk.atomistic.DatastreamStructure property) (httk.atomistic.FundamentalDomainStructure property) (httk.atomistic.FundamentalDomainStructureRecord attribute) (httk.atomistic.FundamentalDomainTemplate property) (httk.atomistic.FundamentalDomainTemplateRecord attribute) (httk.atomistic.integrations.ase.ASEAtoms property) (httk.atomistic.integrations.ase.models.ASEAtoms property) (httk.atomistic.integrations.ASEAtoms property) (httk.atomistic.integrations.pymatgen.models.PymatgenStructure property) (httk.atomistic.integrations.pymatgen.PymatgenStructure property) (httk.atomistic.integrations.PymatgenStructure property) (httk.atomistic.integrations.vasp.io.outcar.OutcarFrame attribute) (httk.atomistic.integrations.vasp.io.OutcarFrame attribute) (httk.atomistic.integrations.vasp.io.wavecar.WavecarFile attribute) (httk.atomistic.integrations.vasp.io.xdatcar.XdatcarFile property) (httk.atomistic.integrations.vasp.io.XdatcarFile property) (httk.atomistic.integrations.vasp.structure.VASPStructure property) (httk.atomistic.integrations.vasp.VASPStructure property) (httk.atomistic.integrations.VASPStructure property) (httk.atomistic.models.moments.crystalaxis.CrystalAxisSiteMoments property) (httk.atomistic.models.moments.CrystalAxisSiteMoments property) (httk.atomistic.models.structure.api.StructureAPI property) (httk.atomistic.models.structure.asu.FundamentalDomainStructure property) (httk.atomistic.models.structure.datastream.DatastreamStructure property) (httk.atomistic.models.structure.DatastreamStructure property) (httk.atomistic.models.structure.FundamentalDomainStructure property) (httk.atomistic.models.structure.modulated.ModulatedStructure property) (httk.atomistic.models.structure.numeric.NumericUnitcellStructure property) (httk.atomistic.models.structure.numeric_view.NumericUnitcellStructureView property) (httk.atomistic.models.structure.NumericUnitcellStructure property) (httk.atomistic.models.structure.NumericUnitcellStructureView property) (httk.atomistic.models.structure.optimade.OptimadeStructure property) (httk.atomistic.models.structure.OptimadeStructure property) (httk.atomistic.models.structure.plain.PlainStructure property) (httk.atomistic.models.structure.PlainStructure property) (httk.atomistic.models.structure.record.RecordStructure property) (httk.atomistic.models.structure.RecordStructure property) (httk.atomistic.models.structure.StructureAPI property) (httk.atomistic.models.structure.symops.SymopsStructure property) (httk.atomistic.models.structure.unitcell.UnitcellStructure property) (httk.atomistic.models.structure.UnitcellStructure property) (httk.atomistic.models.structuretype.anonymized.AnonymizedStructure property) (httk.atomistic.models.structuretype.api.StructuretypeAPI property) (httk.atomistic.models.structuretype.fundamental.FundamentalDomainTemplate property) (httk.atomistic.models.structuretype.FundamentalDomainTemplate property) (httk.atomistic.models.structuretype.Structuretype property) (httk.atomistic.models.structuretype.structuretype.Structuretype property) (httk.atomistic.models.structuretype.StructuretypeAPI property) (httk.atomistic.ModulatedStructure property) (httk.atomistic.NiggliReducedStructureResult attribute) (httk.atomistic.NiggliReductionResult attribute) (httk.atomistic.NumericUnitcellStructureView property) (httk.atomistic.OptimadeStructure property) (httk.atomistic.PlaneWaveFunctions property) (httk.atomistic.PymatgenStructure property) (httk.atomistic.reduction.NiggliReducedStructureResult attribute) (httk.atomistic.reduction.NiggliReductionResult attribute) (httk.atomistic.storage.FundamentalDomainStructureRecord attribute) (httk.atomistic.storage.FundamentalDomainTemplateRecord attribute) (httk.atomistic.storage.records.FundamentalDomainStructureRecord attribute) (httk.atomistic.storage.records.FundamentalDomainTemplateRecord attribute) (httk.atomistic.storage.records.UnitcellStructureRecord attribute) (httk.atomistic.storage.UnitcellStructureRecord attribute) (httk.atomistic.Structuretype property) (httk.atomistic.SymopsStructure property) (httk.atomistic.UnitcellStructure property) (httk.atomistic.UnitcellStructureRecord attribute) (httk.atomistic.VASPStructure property) (httk.atomistic.wavefunction.PlaneWaveFunctions property) cell_floats() (httk.atomistic.integrations.vasp.io.outcar.OutcarFrame method) (httk.atomistic.integrations.vasp.io.OutcarFrame method) CellAPI (class in httk.atomistic.models.cell) (class in httk.atomistic.models.cell.api) CellBackend (class in httk.atomistic.models.cell) (class in httk.atomistic.models.cell.backend) CellLike (in module httk.atomistic) (in module httk.atomistic.models.cell) (in module httk.atomistic.models.cell.like) CellNumericView (class in httk.atomistic.models.cell) (class in httk.atomistic.models.cell.numeric_view) CellParams (class in httk.atomistic) (class in httk.atomistic.models.cell) (class in httk.atomistic.models.cell.params) CellParamsView (class in httk.atomistic) (class in httk.atomistic.models.cell) (class in httk.atomistic.models.cell.params_view) CellRecord (class in httk.atomistic.storage) (class in httk.atomistic.storage.records) CellView (class in httk.atomistic) (class in httk.atomistic.models.cell) (class in httk.atomistic.models.cell.view) CellViewBase (class in httk.atomistic.models.cell) (class in httk.atomistic.models.cell.view_base) census (httk.workflow.NotIdleError attribute) centering (httk.workflow.vasp.VaspPreparationOptions attribute) centering_translations (httk.atomistic.Spacegroup property) (httk.atomistic.symmetry.Spacegroup property) (httk.atomistic.symmetry.spacegroup.Spacegroup property) centring_type (httk.atomistic.Spacegroup property) (httk.atomistic.symmetry.Spacegroup property) (httk.atomistic.symmetry.spacegroup.Spacegroup property) chain_vecs() (httk.core.vectors.fracvector.FracVectorBase class method) changed (httk.core.docs.ComposeResult attribute) (httk.core.docs.sitetree.ComposeResult attribute) changes (httk.workflow.vasp.VaspRemedyDecision attribute) channel_for_label() (in module httk.core.docs.sphinx_ext) chapter (httk.core.entry_types.Reference attribute) (httk.core.Reference attribute) charge (httk.atomistic.DatastreamStructure property) (httk.atomistic.FundamentalDomainStructure property) (httk.atomistic.FundamentalDomainStructureRecord attribute) (httk.atomistic.integrations.pymatgen.models.PymatgenStructure property) (httk.atomistic.integrations.pymatgen.PymatgenStructure property) (httk.atomistic.integrations.PymatgenStructure property) (httk.atomistic.integrations.vasp.structure.VASPStructure property) (httk.atomistic.integrations.vasp.VASPStructure property) (httk.atomistic.integrations.VASPStructure property) (httk.atomistic.models.structure.api.StructureAPI property) (httk.atomistic.models.structure.asu.FundamentalDomainStructure property) (httk.atomistic.models.structure.datastream.DatastreamStructure property) (httk.atomistic.models.structure.DatastreamStructure property) (httk.atomistic.models.structure.FundamentalDomainStructure property) (httk.atomistic.models.structure.numeric.NumericUnitcellStructure property) (httk.atomistic.models.structure.numeric_view.NumericUnitcellStructureView property) (httk.atomistic.models.structure.NumericUnitcellStructure property) (httk.atomistic.models.structure.NumericUnitcellStructureView property) (httk.atomistic.models.structure.optimade.OptimadeStructure property) (httk.atomistic.models.structure.OptimadeStructure property) (httk.atomistic.models.structure.record.RecordStructure property) (httk.atomistic.models.structure.RecordStructure property) (httk.atomistic.models.structure.StructureAPI property) (httk.atomistic.models.structure.symops.SymopsStructure property) (httk.atomistic.models.structure.unitcell.UnitcellStructure property) (httk.atomistic.models.structure.unitcell_view.UnitcellStructureView property) (httk.atomistic.models.structure.UnitcellStructure property) (httk.atomistic.models.structure.UnitcellStructureView property) (httk.atomistic.NumericUnitcellStructureView property) (httk.atomistic.OptimadeStructure property) (httk.atomistic.PymatgenStructure property) (httk.atomistic.storage.FundamentalDomainStructureRecord attribute) (httk.atomistic.storage.records.FundamentalDomainStructureRecord attribute) (httk.atomistic.storage.records.SpeciesConstituentRecord attribute) (httk.atomistic.storage.records.UnitcellStructureRecord attribute) (httk.atomistic.storage.SpeciesConstituentRecord attribute) (httk.atomistic.storage.UnitcellStructureRecord attribute) (httk.atomistic.SymopsStructure property) (httk.atomistic.UnitcellStructure property) (httk.atomistic.UnitcellStructureRecord attribute) (httk.atomistic.UnitcellStructureView property) (httk.atomistic.VASPStructure property) charge_definitions() (in module httk.atomistic.entries.charge) charge_properties() (in module httk.atomistic.entries.charge) CHARGE_PROPERTY_KEYS (in module httk.atomistic.entries.charge) charges (httk.atomistic.models.species.api.SpeciesAPI property) (httk.atomistic.models.species.plain.PlainSpecies property) (httk.atomistic.models.species.PlainSpecies property) (httk.atomistic.models.species.record.RecordSpecies property) (httk.atomistic.models.species.Species attribute) (httk.atomistic.models.species.species.Species attribute) (httk.atomistic.models.species.SpeciesAPI property) (httk.atomistic.Species attribute) (httk.atomistic.storage.records.SpeciesRecord property) (httk.atomistic.storage.SpeciesRecord property) check (httk.workflow.hygiene.Finding attribute) check() (httk.workflow.Workspace method) check_entry_id() (in module httk.core) (in module httk.core.entry_ids) check_immutable_id() (in module httk.core) (in module httk.core.entry_ids) check_ledger_key() (in module httk.store) (in module httk.store.id_ledger) check_lock() (in module httk.core.docs) (in module httk.core.docs.lockfile) check_options (httk.core.vectors.leaf_codecs.LeafCodec attribute) (httk.core.vectors.LeafCodec attribute) check_parameters() (in module httk.core.project.templates) check_record_matches_definition() (in module httk.core.schema_check) check_release() (in module httk.core.docs) (in module httk.core.docs.release) checker_specs (httk.workflow.supervision.ProcessSupervisor attribute) CheckerSpec (class in httk.workflow.supervision) checksums (httk.core.entry_types.File attribute) (httk.core.File attribute) (httk.core.FileRecord attribute) (httk.core.files.FileRecord attribute) (httk.workflow.languages.cwl.FileRecord attribute) chemical_composition (httk.atomistic.FundamentalDomainStructureRecord attribute) (httk.atomistic.models.structure.record.RecordStructure property) (httk.atomistic.models.structure.RecordStructure property) (httk.atomistic.models.structure.semantics.StructureSemanticsMixin property) (httk.atomistic.models.structure.StructureSemanticsMixin property) (httk.atomistic.models.structure.unitcell_view.UnitcellStructureView property) (httk.atomistic.models.structure.UnitcellStructureView property) (httk.atomistic.storage.FundamentalDomainStructureRecord attribute) (httk.atomistic.storage.records.FundamentalDomainStructureRecord attribute) (httk.atomistic.storage.records.UnitcellStructureRecord attribute) (httk.atomistic.storage.UnitcellStructureRecord attribute) (httk.atomistic.UnitcellStructureRecord attribute) (httk.atomistic.UnitcellStructureView property) chemical_formula_anonymous (httk.atomistic.Composition property) (httk.atomistic.models.formula.Composition property) (httk.atomistic.models.formula.composition.Composition property) (httk.atomistic.models.structure.api.StructureAPI property) (httk.atomistic.models.structure.optimade.OptimadeStructure property) (httk.atomistic.models.structure.OptimadeStructure property) (httk.atomistic.models.structure.semantics.StructureSemanticsMixin property) (httk.atomistic.models.structure.StructureAPI property) (httk.atomistic.models.structure.StructureSemanticsMixin property) (httk.atomistic.OptimadeStructure property) chemical_formula_descriptive (httk.atomistic.FundamentalDomainStructureRecord attribute) (httk.atomistic.models.structure.api.StructureAPI property) (httk.atomistic.models.structure.optimade.OptimadeStructure property) (httk.atomistic.models.structure.OptimadeStructure property) (httk.atomistic.models.structure.record.RecordStructure property) (httk.atomistic.models.structure.RecordStructure property) (httk.atomistic.models.structure.semantics.StructureSemanticsMixin property) (httk.atomistic.models.structure.StructureAPI property) (httk.atomistic.models.structure.StructureSemanticsMixin property) (httk.atomistic.models.structure.unitcell_view.UnitcellStructureView property) (httk.atomistic.models.structure.UnitcellStructureView property) (httk.atomistic.OptimadeStructure property) (httk.atomistic.storage.FundamentalDomainStructureRecord attribute) (httk.atomistic.storage.records.FundamentalDomainStructureRecord attribute) (httk.atomistic.storage.records.UnitcellStructureRecord attribute) (httk.atomistic.storage.UnitcellStructureRecord attribute) (httk.atomistic.UnitcellStructureRecord attribute) (httk.atomistic.UnitcellStructureView property) chemical_formula_hill (httk.atomistic.FundamentalDomainStructureRecord attribute) (httk.atomistic.models.structure.api.StructureAPI property) (httk.atomistic.models.structure.optimade.OptimadeStructure property) (httk.atomistic.models.structure.OptimadeStructure property) (httk.atomistic.models.structure.record.RecordStructure property) (httk.atomistic.models.structure.RecordStructure property) (httk.atomistic.models.structure.semantics.StructureSemanticsMixin property) (httk.atomistic.models.structure.StructureAPI property) (httk.atomistic.models.structure.StructureSemanticsMixin property) (httk.atomistic.models.structure.unitcell_view.UnitcellStructureView property) (httk.atomistic.models.structure.UnitcellStructureView property) (httk.atomistic.OptimadeStructure property) (httk.atomistic.storage.FundamentalDomainStructureRecord attribute) (httk.atomistic.storage.records.FundamentalDomainStructureRecord attribute) (httk.atomistic.storage.records.UnitcellStructureRecord attribute) (httk.atomistic.storage.UnitcellStructureRecord attribute) (httk.atomistic.UnitcellStructureRecord attribute) (httk.atomistic.UnitcellStructureView property) chemical_formula_reduced (httk.atomistic.Composition property) (httk.atomistic.models.formula.Composition property) (httk.atomistic.models.formula.composition.Composition property) (httk.atomistic.models.structure.api.StructureAPI property) (httk.atomistic.models.structure.optimade.OptimadeStructure property) (httk.atomistic.models.structure.OptimadeStructure property) (httk.atomistic.models.structure.semantics.StructureSemanticsMixin property) (httk.atomistic.models.structure.StructureAPI property) (httk.atomistic.models.structure.StructureSemanticsMixin property) (httk.atomistic.OptimadeStructure property) chemical_symbol (httk.atomistic.storage.records.SpeciesConstituentRecord attribute) (httk.atomistic.storage.SpeciesConstituentRecord attribute) chemical_symbols (httk.atomistic.models.species.api.SpeciesAPI property) (httk.atomistic.models.species.plain.PlainSpecies property) (httk.atomistic.models.species.PlainSpecies property) (httk.atomistic.models.species.record.RecordSpecies property) (httk.atomistic.models.species.Species attribute) (httk.atomistic.models.species.species.Species attribute) (httk.atomistic.models.species.SpeciesAPI property) (httk.atomistic.Species attribute) (httk.atomistic.storage.records.SpeciesRecord property) (httk.atomistic.storage.SpeciesRecord property) ChemicalComposition (class in httk.atomistic) (class in httk.atomistic.composition) ChemicalCompositionRecord (class in httk.atomistic.storage) (class in httk.atomistic.storage.records) ChemicalFormula (class in httk.atomistic) (class in httk.atomistic.models.formula) (class in httk.atomistic.models.formula.formula) ChemicalFormulaAPI (class in httk.atomistic.models.formula) (class in httk.atomistic.models.formula.api) ChemicalFormulaBackend (class in httk.atomistic.models.formula) (class in httk.atomistic.models.formula.backend) ChemicalFormulaLike (in module httk.atomistic) (in module httk.atomistic.models.formula.like) ChemicalFormulaView (class in httk.atomistic) (class in httk.atomistic.models.formula) (class in httk.atomistic.models.formula.formula_view) ChemicalFormulaViewBase (class in httk.atomistic.models.formula) (class in httk.atomistic.models.formula.view_base) child (httk.store.backend.mongo.searcher.NotNode attribute) (httk.store.backend.schema.FieldSpec attribute) child_digests (httk.workflow.protocol.StateFrame property) ChildReference (class in httk.workflow.protocol) children (httk.workflow.Attempt property) (httk.workflow.collecting.JobRecord attribute) (httk.workflow.JobRecord attribute) (httk.workflow.protocol.OutcomeDraft property) (httk.workflow.sdk.Attempt property) children_of() (in module httk.workflow.collecting) ChildrenView (class in httk.workflow) (class in httk.workflow.sdk) ChildResult (class in httk.workflow) (class in httk.workflow.sdk) ChildSpec (class in httk.workflow) (class in httk.workflow.sdk) ChildTableSpec (class in httk.store.backend.schema) choices (httk.workflow.vasp.PotcarAssembly attribute) cif_exact_token() (in module httk.atomistic.io.cif.cif_parser) cif_setting() (in module httk.atomistic) (in module httk.atomistic.cif_structures) CIF_TAGS (in module httk.atomistic.io.cif.cif_tags) cifblock_to_asu() (in module httk.atomistic.io.cif.cif_parser) cifblock_to_mag_asu() (in module httk.atomistic.io.cif.mcif_parser) CifMeta (class in httk.atomistic.io.cif.cif_parser) CifTags (class in httk.atomistic.io.cif.cif_tags) claim_pool (httk.workflow.ChildSpec attribute) (httk.workflow.protocol.JobDefinition attribute) (httk.workflow.protocol.JobSpec attribute) (httk.workflow.sdk.ChildSpec attribute) class_name (httk.serve.web.providers.TableColumn attribute) (httk.serve.web.TableColumn attribute) classification (httk.workflow.vasp.VaspRunReport attribute) classify_schema_upgrade() (in module httk.store.storage_layout) clean_outcar() (in module httk.workflow.vasp) clean_vasp_outputs() (in module httk.workflow.vasp) cleanup() (httk.store.backend.sql.bulk_deferred.DeferredFinalizer method) CleanupCallback (in module httk.serve.web.resources) clear_ingest_marker() (in module httk.store.backend.clickhouse.support) clear_stale_lock() (httk.store.backend.mongo.store.MongoStore method) (in module httk.store.backend.mongo.leases) cli_command() (in module httk.core.register) (in module httk.core.register.cli) clickhouse() (httk.store.backend.sql.engine.Backend class method) ClickHouseUnsupportedQueryError CLICommand (class in httk.core.register) (class in httk.core.register.cli) CLIContext (class in httk.core) (class in httk.core.cli) CLIContextLike (class in httk.serve.web.cli) client (httk.store.backend.mongo.database.MongoDatabase property) CLIHandler (in module httk.core.register) (in module httk.core.register.cli) close() (httk.atomistic.integrations.vasp.io.outcar.OutcarFile method) (httk.atomistic.integrations.vasp.io.OutcarFile method) (httk.atomistic.integrations.vasp.io.outputs.VASPOutputs method) (httk.atomistic.integrations.vasp.io.VASPOutputs method) (httk.atomistic.integrations.vasp.io.wavecar.WavecarFile method) (httk.atomistic.integrations.vasp.io.xdatcar.XdatcarFile method) (httk.atomistic.integrations.vasp.io.XdatcarFile method) (httk.atomistic.io.optimade_jsonl.TrajectoryJsonlFile method) (httk.atomistic.PlaneWaveFunctions method) (httk.atomistic.wavefunction.PlaneWaveFunctions method) (httk.core.BytestreamFileView method) (httk.core.datastream.bytestream_api.BytestreamAPI method) (httk.core.datastream.bytestream_common.BytestreamCommon method) (httk.core.datastream.bytestream_file_view.BytestreamFileView method) (httk.core.datastream.BytestreamCommon method) (httk.core.datastream.BytestreamFileView method) (httk.core.datastream.textstream_api.TextstreamAPI method) (httk.core.datastream.textstream_common.TextstreamCommon method) (httk.core.datastream.textstream_file_view.TextstreamFileView method) (httk.core.datastream.TextstreamCommon method) (httk.core.datastream.TextstreamFileView method) (httk.core.TextstreamFileView method) (httk.serve.optimade.client.OptimadeStore method) (httk.serve.optimade.OptimadeStore method) (httk.serve.web.engine.site_engine.SiteEngine method) (httk.serve.web.engine.SiteEngine method) (httk.serve.web.resources.SiteResources method) (httk.serve.web.SiteResources method) (httk.store.backend.sql.bulk_parallel.ParallelController method) (httk.store.id_ledger.IdLedger method) (httk.store.IdLedger method) (httk.workflow.TaskManager method) closed (httk.atomistic.integrations.vasp.io.outcar.OutcarFile property) (httk.atomistic.integrations.vasp.io.OutcarFile property) (httk.atomistic.integrations.vasp.io.outputs.VASPOutputs property) (httk.atomistic.integrations.vasp.io.VASPOutputs property) (httk.atomistic.integrations.vasp.io.wavecar.WavecarFile property) (httk.atomistic.integrations.vasp.io.xdatcar.XdatcarFile property) (httk.atomistic.integrations.vasp.io.XdatcarFile property) (httk.atomistic.io.optimade_jsonl.TrajectoryJsonlFile property) (httk.atomistic.PlaneWaveFunctions property) (httk.atomistic.wavefunction.PlaneWaveFunctions property) (httk.core.BytestreamFileView property) (httk.core.datastream.bytestream_api.BytestreamAPI property) (httk.core.datastream.bytestream_bytes.BytestreamBytes property) (httk.core.datastream.bytestream_file.BytestreamFile property) (httk.core.datastream.bytestream_file_view.BytestreamFileView property) (httk.core.datastream.bytestream_filename.BytestreamFilename property) (httk.core.datastream.bytestream_request.BytestreamRequest property) (httk.core.datastream.bytestream_url.BytestreamURL property) (httk.core.datastream.BytestreamBytes property) (httk.core.datastream.BytestreamFile property) (httk.core.datastream.BytestreamFilename property) (httk.core.datastream.BytestreamFileView property) (httk.core.datastream.BytestreamRequest property) (httk.core.datastream.BytestreamURL property) (httk.core.datastream.textstream_api.TextstreamAPI property) (httk.core.datastream.textstream_file.TextstreamFile property) (httk.core.datastream.textstream_file_view.TextstreamFileView property) (httk.core.datastream.textstream_filename.TextstreamFilename property) (httk.core.datastream.textstream_request.TextstreamRequest property) (httk.core.datastream.textstream_string.TextstreamString property) (httk.core.datastream.textstream_url.TextstreamURL property) (httk.core.datastream.TextstreamFile property) (httk.core.datastream.TextstreamFilename property) (httk.core.datastream.TextstreamFileView property) (httk.core.datastream.TextstreamRequest property) (httk.core.datastream.TextstreamString property) (httk.core.datastream.TextstreamURL property) (httk.core.TextstreamFileView property) (httk.serve.web.resources.SiteResources property) (httk.serve.web.SiteResources property)

cls (httk.store.backend.schema.TableSchema attribute) code (httk.atomistic.composition.CompositionDiagnostic attribute) (httk.atomistic.models.formula.CompositionDiagnostic attribute) (httk.atomistic.models.formula.diagnostics.CompositionDiagnostic attribute) (httk.core.building.BuildError attribute) (httk.serve.dsp.DspProtocolError attribute) (httk.serve.dsp.models.DspProtocolError attribute) (httk.workflow.errors.RunnerResolutionError attribute) (httk.workflow.protocol.Failure attribute) (httk.workflow.protocol.RunnerResolutionError attribute) (httk.workflow.RunnerResolutionError attribute) (httk.workflow.supervision.Diagnostic attribute) code_name (httk.workflow.compat.v1.V1FinishedTask attribute) code_of() (in module httk.workflow.compat.v1) code_version (httk.workflow.compat.v1.V1FinishedTask attribute) codec_for() (in module httk.store.backend.codecs) codec_for_name() (in module httk.core.datastream.compression) codec_name (httk.store.backend.schema.FieldSpec attribute) codec_named() (in module httk.store.backend.codecs) coefficient() (httk.core.SurdVector method) (httk.core.vectors.SurdVector method) (httk.core.vectors.surdvector.SurdVector method) coefficients() (httk.atomistic.integrations.vasp.io.wavecar.WavecarFile method) (httk.atomistic.PlaneWaveFunctions method) (httk.atomistic.wavefunction.PlaneWaveFunctions method) coerce() (in module httk.core) (in module httk.core.views) (in module httk.core.views.coercion) coerce_view() (in module httk.core) (in module httk.core.views) (in module httk.core.views.coercion) Coercer (in module httk.core.views) (in module httk.core.views.coercion) collect (httk.workflow.languages.cwl.WorkflowLanguage attribute) (httk.workflow.languages.httk_v1.WorkflowLanguage attribute) (httk.workflow.languages.jobflow.WorkflowLanguage attribute) (httk.workflow.languages.pwd.WorkflowLanguage attribute) (httk.workflow.languages.WorkflowLanguage attribute) collect() (in module httk.workflow) (in module httk.workflow.collecting) (in module httk.workflow.languages.cwl) (in module httk.workflow.languages.httk_v1) (in module httk.workflow.languages.jobflow) (in module httk.workflow.languages.pwd) collect_file (httk.workflow.scaffold.ResolvedWorkflow attribute) (httk.workflow.scaffold.WorkflowProvider attribute) collect_finished_tree() (in module httk.workflow.compat.v1) COLLECT_FORMAT (in module httk.workflow.collecting) COLLECT_FORMAT_VERSION (in module httk.workflow.collecting) collect_garbage() (httk.workflow.Workspace method) collect_kinds() (in module httk.workflow.collecting) collect_main() (in module httk.workflow.hookapi) collect_reports() (in module httk.core.report) COLLECT_STREAM_FORMAT (in module httk.workflow.hookapi) COLLECT_STREAM_VERSION (in module httk.workflow.hookapi) COLLECTABLE_KINDS (in module httk.workflow.collecting) CollectedJob (class in httk.workflow) (class in httk.workflow.collecting) collection_name_for() (in module httk.store.backend.mongo.mapping) collections (httk.store.backend.mongo.fsck.FsckSummary attribute) collector (httk.workflow.scaffold.ResolvedWorkflow attribute) (httk.workflow.scaffold.WorkflowProvider attribute) collector_exec (httk.workflow.scaffold.ResolvedWorkflow attribute) (httk.workflow.scaffold.WorkflowProvider attribute) collector_exit_status (httk.workflow.CollectedJob attribute) (httk.workflow.collecting.CollectedJob attribute) collinear_moments (httk.atomistic.CollinearSiteMoments property) (httk.atomistic.models.moments.collinear.CollinearSiteMoments property) (httk.atomistic.models.moments.CollinearSiteMoments property) CollinearSiteMoments (class in httk.atomistic) (class in httk.atomistic.models.moments) (class in httk.atomistic.models.moments.collinear) cols (httk.core.Shape attribute) (httk.core.storage.markers.Shape attribute) (httk.core.storage.Shape attribute) column (httk.serve.web.renderers.base.WidgetPlacement attribute) column() (httk.serve.optimade.backend.memory_store.MemoryResultSet method) (httk.serve.optimade.remote_query.RemoteResultSet method) (httk.serve.optimade.RemoteResultSet method) (httk.store.backend.mongo.results.MongoResultSet method) (httk.store.backend.sql.results.SqlResultSet method) (httk.store.federated_store.FederatedResultSet method) (httk.store.FederatedResultSet method) columns (httk.serve.web.providers.TablePage attribute) (httk.serve.web.TablePage attribute) (httk.store.backend.codecs.ValueCodec attribute) (httk.store.backend.mongo.mapping.DocumentFieldSpec property) (httk.store.backend.schema.FieldSpec attribute) ColumnSpec (class in httk.store.backend.schema) combined_precision() (in module httk.core) (in module httk.core.precision) command (httk.core.building.BuildSpec attribute) (httk.workflow.scaffold.BuildSpec attribute) command() (httk.workflow.executors.PathRunnerExecutor method) (httk.workflow.executors.RunnerExecutor method) (in module httk.atomistic.cli) (in module httk.core.converting) (in module httk.core.docs.cli) (in module httk.core.memguard) (in module httk.core.plugins.cli) (in module httk.core.project.cli) (in module httk.core.system) (in module httk.serve.web.cli) CommandResult (class in httk.workflow.runtime) comment (httk.atomistic.integrations.vasp.io.xdatcar.XdatcarFile property) (httk.atomistic.integrations.vasp.io.XdatcarFile property) (httk.atomistic.integrations.vasp.structure.VASPStructure property) (httk.atomistic.integrations.vasp.VASPStructure property) (httk.atomistic.integrations.VASPStructure property) (httk.atomistic.VASPStructure property) (httk.workflow.vasp.PoscarHeader attribute) commit (httk.core.docs.CommitSiteResult attribute) (httk.core.docs.gitsite.CommitSiteResult attribute) commit() (httk.workflow.protocol.ReplayableWorkdirBatch method) commit_negotiation() (httk.serve.dsp.state.DspState method) commit_outcome() (httk.workflow.executors.PathRunnerExecutor method) (httk.workflow.executors.RunnerExecutor method) commit_site() (in module httk.core.docs) (in module httk.core.docs.gitsite) commit_transfer() (httk.serve.dsp.state.DspState method) CommitSiteResult (class in httk.core.docs) (class in httk.core.docs.gitsite) common_subgroup_representation() (in module httk.atomistic.symmetry.paths) CommonSubgroupResult (class in httk.atomistic.symmetry.paths) compare() (httk.core.storage.QueryContext method) (httk.core.storage.stored_properties.QueryContext method) ComparisonNode (class in httk.store.backend.mongo.searcher) compatibility (httk.workflow.protocol.JobSpec attribute) compatibility_mode (httk.serve.web.model.config.SiteConfig attribute) (httk.serve.web.model.SiteConfig attribute) COMPATIBLE_CRYSTAL_SYSTEMS (in module httk.atomistic.symmetry.lift) complete (httk.atomistic.ChemicalFormulaView property) (httk.atomistic.Composition attribute) (httk.atomistic.CompositionView property) (httk.atomistic.FormulatypeView property) (httk.atomistic.models.formula.api.ChemicalFormulaAPI property) (httk.atomistic.models.formula.ChemicalFormulaAPI property) (httk.atomistic.models.formula.ChemicalFormulaView property) (httk.atomistic.models.formula.Composition attribute) (httk.atomistic.models.formula.composition.Composition attribute) (httk.atomistic.models.formula.composition_view.CompositionView property) (httk.atomistic.models.formula.CompositionView property) (httk.atomistic.models.formula.formula_view.ChemicalFormulaView property) (httk.atomistic.models.formula.formulatype_view.FormulatypeView property) (httk.atomistic.models.formula.FormulatypeView property) (httk.atomistic.models.formula.plain.PlainComposition property) (httk.atomistic.models.formula.record.RecordComposition property) (httk.atomistic.models.formula.structure.StructureComposition property) (httk.atomistic.models.formula.wyckoff.WyckoffComposition property) (httk.atomistic.storage.NormalizedCompositionRecord attribute) (httk.atomistic.storage.records.NormalizedCompositionRecord attribute) complete_transfer() (httk.serve.dsp.DspProvider method) (httk.serve.dsp.provider.DspProvider method) completed (httk.atomistic.integrations.vasp.io.outcar.OutcarFile property) (httk.atomistic.integrations.vasp.io.OutcarFile property) completion_evidence (httk.atomistic.integrations.vasp.io.outcar.OutcarFile property) (httk.atomistic.integrations.vasp.io.OutcarFile property) compose_asgi_apps() (in module httk.serve) (in module httk.serve.composition) compose_site() (in module httk.core.docs) (in module httk.core.docs.sitetree) ComposeError, [1] ComposeResult (class in httk.core.docs) (class in httk.core.docs.sitetree) composite_indexes (httk.store.backend.schema.TableSchema attribute) Composition (class in httk.atomistic) (class in httk.atomistic.models.formula) (class in httk.atomistic.models.formula.composition) composition (httk.atomistic.models.structure.api.StructureAPI property) (httk.atomistic.models.structure.optimade.OptimadeStructure property) (httk.atomistic.models.structure.OptimadeStructure property) (httk.atomistic.models.structure.record.RecordStructure property) (httk.atomistic.models.structure.RecordStructure property) (httk.atomistic.models.structure.semantics.StructureSemanticsMixin property) (httk.atomistic.models.structure.StructureAPI property) (httk.atomistic.models.structure.StructureSemanticsMixin property) (httk.atomistic.OptimadeStructure property) CompositionAmountRecord (class in httk.atomistic.storage) (class in httk.atomistic.storage.records) CompositionDiagnostic (class in httk.atomistic.composition) (class in httk.atomistic.models.formula) (class in httk.atomistic.models.formula.diagnostics) compositions (httk.analyse.matsci.phase_diagrams.PhaseDiagram property) (httk.analyse.matsci.PhaseDiagram property) CompositionView (class in httk.atomistic) (class in httk.atomistic.models.formula) (class in httk.atomistic.models.formula.composition_view) compress_files() (in module httk.workflow.runtime_utils) CompressionCodec (class in httk.core) (class in httk.core.datastream) (class in httk.core.datastream.compression) computation_date (httk.workflow.compat.v1.V1FinishedTask attribute) compute_input_hash() (in module httk.core.docs) (in module httk.core.docs.lockfile) concentration (httk.atomistic.models.species.api.SpeciesAPI property) (httk.atomistic.models.species.plain.PlainSpecies property) (httk.atomistic.models.species.PlainSpecies property) (httk.atomistic.models.species.record.RecordSpecies property) (httk.atomistic.models.species.Species attribute) (httk.atomistic.models.species.species.Species attribute) (httk.atomistic.models.species.SpeciesAPI property) (httk.atomistic.Species attribute) (httk.atomistic.storage.records.SpeciesConstituentRecord attribute) (httk.atomistic.storage.records.SpeciesRecord property) (httk.atomistic.storage.SpeciesConstituentRecord attribute) (httk.atomistic.storage.SpeciesRecord property) concentration_precision (httk.atomistic.models.species.api.SpeciesAPI property) (httk.atomistic.models.species.plain.PlainSpecies property) (httk.atomistic.models.species.PlainSpecies property) (httk.atomistic.models.species.record.RecordSpecies property) (httk.atomistic.models.species.Species attribute) (httk.atomistic.models.species.species.Species attribute) (httk.atomistic.models.species.SpeciesAPI property) (httk.atomistic.Species attribute) (httk.atomistic.storage.records.SpeciesConstituentRecord attribute) (httk.atomistic.storage.records.SpeciesRecord property) (httk.atomistic.storage.SpeciesConstituentRecord attribute) (httk.atomistic.storage.SpeciesRecord property) config (httk.serve.dsp.DspProvider attribute) (httk.serve.dsp.provider.DspProvider attribute) (httk.serve.web.engine.site_engine.SiteEngine attribute) (httk.serve.web.engine.SiteEngine attribute) CONFIG_FORMAT (in module httk.workflow.configuration) CONFIG_FORMAT_VERSION (in module httk.workflow.configuration) config_home() (in module httk.core.userdirs) (in module httk.workflow.configuration) CONFIG_KEYS (in module httk.workflow.configuration) config_name (httk.serve.web.model.config.SiteConfig attribute) (httk.serve.web.model.SiteConfig attribute) config_path() (in module httk.workflow.configuration) ConfigError, [1] ConfigKey (class in httk.workflow.configuration) configure_reporting() (in module httk.core.report) configured_operator_identity() (in module httk.core.identity) conflicting_logical_id (httk.store.backend.sql.store.EntryReplacementError attribute) (httk.store.store_common.EntryReplacementError attribute) conflicts (httk.store.backend.mongo.fsck.FsckCollectionSummary attribute) (httk.store.backend.sql.fsck.FsckTableSummary attribute) conforms_to (httk.core.Service attribute) (httk.core.services.Service attribute) (httk.serve.dsp.DataServiceProfile attribute) (httk.serve.dsp.DcatDataServiceProfile attribute) (httk.serve.dsp.models.DataServiceProfile attribute) (httk.serve.dsp.models.DcatDataServiceProfile attribute) conjugated_by() (httk.atomistic.AffineOperation method) (httk.atomistic.symmetry.affine_operation.AffineOperation method) (httk.atomistic.symmetry.AffineOperation method) connection (httk.store.backend.sql.bulk_deferred.DeferredFinalizer attribute) connection_uses_autocommit() (in module httk.store.backend.postgresql.hooks) (in module httk.store.backend.sqlite.hooks) connector_root_url (httk.serve.dsp.config.DspProviderConfig property) (httk.serve.dsp.DspProviderConfig property) constant() (httk.core.storage.QueryContext method) (httk.core.storage.stored_properties.QueryContext method) constant_comparison_handler() (in module httk.serve.optimade.backend.handlers) (in module httk.store.query.optimade_filters) constant_set_handler() (in module httk.serve.optimade.backend.handlers) (in module httk.store.query.optimade_filters) constant_stringmatching_handler() (in module httk.serve.optimade.backend.handlers) (in module httk.store.query.optimade_filters) constant_types (in module httk.store.query.optimade_filters) constituents (httk.atomistic.storage.records.SpeciesRecord attribute) (httk.atomistic.storage.SpeciesRecord attribute) consumer_pid (httk.serve.dsp.DspProtocolError attribute) (httk.serve.dsp.models.DspProtocolError attribute) (httk.serve.dsp.models.NegotiationRecord attribute) (httk.serve.dsp.models.TransferRecord attribute) (httk.serve.dsp.NegotiationRecord attribute) (httk.serve.dsp.TransferRecord attribute) contains() (httk.serve.optimade.backend.memory_store.MemoryField method) (httk.serve.optimade.backend.protocols.SearchField method) (httk.serve.optimade.backend.SearchField method) (httk.store.backend.mongo.searcher.MongoField method) (httk.store.backend.mongo.searcher.MongoLinkField method) (httk.store.backend.sql.searcher.SqlColumn method) (httk.store.federated_store.FederatedField method) (httk.store.query.protocols.SearchField method) (httk.store.query.SearchField method) (httk.store.SearchField method) contcar (httk.atomistic.integrations.vasp.io.outputs.VASPOutputs property) (httk.atomistic.integrations.vasp.io.VASPOutputs property) contcar_to_poscar() (in module httk.workflow.vasp) content (httk.serve.optimade.EndpointResponse attribute) (httk.serve.optimade.model.EndpointResponse attribute) (httk.serve.optimade.model.errors.OptimadeError attribute) (httk.serve.optimade.model.OptimadeError attribute) (httk.serve.optimade.model.request.EndpointResponse attribute) (httk.serve.optimade.OptimadeError attribute) (httk.serve.web.widgets.core.WidgetAsset attribute) (httk.serve.web.widgets.WidgetAsset attribute) content_dir (httk.serve.web.model.config.SiteConfig property) (httk.serve.web.model.SiteConfig property) CONTENT_EXTENSIONS (in module httk.serve.web.publishing.static) content_html (httk.serve.web.templating.base.TemplateRenderInput attribute) (httk.serve.web.templating.TemplateRenderInput attribute) content_id() (httk.store.store_common.SaveProjection method) (in module httk.core) (in module httk.core.storage) (in module httk.core.storage.identity) CONTENT_ID_COLUMN (in module httk.store.backend.sql.mapping) content_subdir (httk.serve.web.model.config.SiteConfig attribute) (httk.serve.web.model.SiteConfig attribute) content_type (httk.serve.optimade.EndpointResponse attribute) (httk.serve.optimade.model.EndpointResponse attribute) (httk.serve.optimade.model.request.EndpointResponse attribute) (httk.serve.web.model.page.PageResult attribute) (httk.serve.web.model.PageResult attribute) (httk.serve.web.widgets.core.WidgetAsset attribute) (httk.serve.web.widgets.WidgetAsset attribute) context (httk.core.dataset_loader.DatasetMeta attribute) (httk.core.DatasetMeta attribute) (httk.serve.web.templating.base.TemplateRenderInput attribute) (httk.serve.web.templating.TemplateRenderInput attribute) (httk.store.backend.mongo.evaluator.MongoScope attribute) (httk.workflow.Attempt attribute) (httk.workflow.executors.AttemptLaunch attribute) (httk.workflow.protocol.OutcomeDraft attribute) (httk.workflow.sdk.Attempt attribute) context_levels (httk.core.report.ReportFilter attribute) context_logger() (in module httk.core.report) continuation() (httk.serve.web.widgets.table.TableRuntime method) ContinuationToken (class in httk.store) (class in httk.store.query) (class in httk.store.query.protocols) control (httk.workflow.Attempt attribute) (httk.workflow.executors.AttemptLaunch attribute) (httk.workflow.protocol.OutcomeDraft attribute) (httk.workflow.sdk.Attempt attribute) (httk.workflow.Workspace attribute) conventional (httk.atomistic.PrimitiveCellResult attribute) (httk.atomistic.symmetry.primitive.PrimitiveCellResult attribute) conventional_cell() (httk.atomistic.models.structure.unitcell.UnitcellStructure method) (httk.atomistic.models.structure.UnitcellStructure method) (httk.atomistic.UnitcellStructure method) (in module httk.atomistic) (in module httk.atomistic.symmetry.standardization) ConventionalCellResult (class in httk.atomistic) (class in httk.atomistic.symmetry.standardization) convert_result() (in module httk.serve.http.openapi) (in module httk.serve.http.openapi.binding) coordinate() (httk.atomistic.symmetry.wyckoff.WyckoffBranch method) (httk.atomistic.symmetry.WyckoffBranch method) coordinate_float() (httk.atomistic.symmetry.wyckoff.WyckoffBranch method) (httk.atomistic.symmetry.WyckoffBranch method) coordinate_precision (httk.atomistic.FundamentalDomainStructure property) (httk.atomistic.FundamentalDomainStructureRecord attribute) (httk.atomistic.FundamentalDomainTemplate property) (httk.atomistic.FundamentalDomainTemplateRecord attribute) (httk.atomistic.io.cif.cif_parser.AsuCell attribute) (httk.atomistic.models.structure.asu.FundamentalDomainStructure property) (httk.atomistic.models.structure.FundamentalDomainStructure property) (httk.atomistic.models.structure.optimade.OptimadeStructure property) (httk.atomistic.models.structure.OptimadeStructure property) (httk.atomistic.models.structure.symops.SymopsStructure property) (httk.atomistic.models.structure.unitcell.UnitcellStructure property) (httk.atomistic.models.structure.UnitcellStructure property) (httk.atomistic.models.structuretype.anonymized.AnonymizedStructure property) (httk.atomistic.models.structuretype.api.StructuretypeAPI property) (httk.atomistic.models.structuretype.fundamental.FundamentalDomainTemplate property) (httk.atomistic.models.structuretype.FundamentalDomainTemplate property) (httk.atomistic.models.structuretype.Structuretype property) (httk.atomistic.models.structuretype.structuretype.Structuretype property) (httk.atomistic.models.structuretype.StructuretypeAPI property) (httk.atomistic.models.structuretype.view.StructuretypeView property) (httk.atomistic.OptimadeStructure property) (httk.atomistic.storage.FundamentalDomainStructureRecord attribute) (httk.atomistic.storage.FundamentalDomainTemplateRecord attribute) (httk.atomistic.storage.records.FundamentalDomainStructureRecord attribute) (httk.atomistic.storage.records.FundamentalDomainTemplateRecord attribute) (httk.atomistic.Structuretype property) (httk.atomistic.StructuretypeView property) (httk.atomistic.SymopsStructure property) (httk.atomistic.UnitcellStructure property) coordinates() (httk.atomistic.symmetry.wyckoff.WyckoffPosition method) (httk.atomistic.symmetry.WyckoffPosition method) (httk.atomistic.WyckoffPosition method) copysign() (in module httk.core.vectors.vectormath) core_profile (httk.workflow.Workspace attribute) CORE_PROFILE (in module httk.workflow.protocol) CORE_STATE_KINDS (in module httk.workflow.protocol) correlation_depth (httk.store.backend.sql.searcher.SqlExpression attribute) cors_origins (httk.serve.optimade.model.config.OptimadeConfig attribute) (httk.serve.optimade.model.OptimadeConfig attribute) (httk.serve.optimade.OptimadeConfig attribute) cos() (httk.core.vectors.fracvector.FracVectorBase method) (in module httk.core.exactmath) (in module httk.core.vectors.vectormath) cos_degrees() (httk.core.SurdScalar class method) (httk.core.vectors.SurdScalar class method) (httk.core.vectors.surdvector.SurdScalar class method) cosh() (in module httk.core.vectors.vectormath) count() (httk.core.storage.QueryContext method) (httk.core.storage.stored_properties.QueryContext method) (httk.serve.optimade.backend.execution.StoreResults method) (httk.serve.optimade.backend.memory_store.MemorySearcher method) (httk.serve.optimade.backend.protocols.QueryResults method) (httk.serve.optimade.backend.protocols.Searcher method) (httk.serve.optimade.backend.QueryResults method) (httk.serve.optimade.backend.Searcher method) (httk.serve.optimade.backend.StoreResults method) (httk.serve.optimade.model.QueryResults method) (httk.serve.optimade.model.results.QueryResults method) (httk.serve.optimade.remote_query.RemoteSearcher method) (httk.serve.optimade.RemoteSearcher method) (httk.store.backend.mongo.searcher.MongoSearcher method) (httk.store.backend.sql.searcher.SqlSearcher method) (httk.store.federated_store.FederatedSearcher method) (httk.store.FederatedSearcher method) (httk.store.query.protocols.Searcher method) (httk.store.query.Searcher method) (httk.store.Searcher method) counter_next() (in module httk.store.backend.mongo.mapping) counter_request() (httk.serve.dsp.DspProvider method) (httk.serve.dsp.provider.DspProvider method) COUNTERS_COLLECTION (in module httk.store.backend.mongo.mapping) counts (httk.atomistic.integrations.vasp.io.xdatcar.XdatcarFile property) (httk.atomistic.integrations.vasp.io.XdatcarFile property) (httk.workflow.vasp.PoscarHeader attribute) CountUnavailableError, [1], [2], [3], [4] create() (httk.store.id_ledger.IdLedger class method) (httk.store.IdLedger class method) create_app() (in module httk.serve.optimade.runtime) (in module httk.serve.optimade.runtime.asgi) (in module httk.serve.web.runtime) (in module httk.serve.web.runtime.asgi) create_asgi_app() (in module httk.serve.optimade) (in module httk.serve.optimade.api) (in module httk.serve.web) (in module httk.serve.web.api) create_dsp_app() (in module httk.serve.dsp) (in module httk.serve.dsp.api) create_file_map_app() (in module httk.serve.http) (in module httk.serve.http.api) create_index_asgi_app() (in module httk.serve.optimade) (in module httk.serve.optimade.api) create_manifest() (in module httk.core.project) (in module httk.core.project.manifests) create_negotiation() (httk.serve.dsp.state.DspState method) create_openapi_app() (in module httk.serve.http.openapi) (in module httk.serve.http.openapi.app) create_or_transfer_for_consumer() (httk.serve.dsp.state.DspState method) create_transfer() (httk.serve.dsp.state.DspState method) created (httk.workflow.manifests.MaintenanceLock attribute) created_at (httk.core.project.Seal attribute) (httk.core.project.sealing.Seal attribute) CREDENTIALS_FILE (in module httk.workflow.adapters) Credits (class in httk.core.citations) credits (in module httk.core) (in module httk.core.citations) cross() (httk.core.vectors.fracvector.FracVectorBase method) crossref (httk.core.entry_types.Reference attribute) (httk.core.Reference attribute) crystal_system (httk.atomistic.Spacegroup property) (httk.atomistic.symmetry.Spacegroup property) (httk.atomistic.symmetry.spacegroup.Spacegroup property) crystalaxis_moments (httk.atomistic.CrystalAxisSiteMoments property) (httk.atomistic.models.moments.crystalaxis.CrystalAxisSiteMoments property) (httk.atomistic.models.moments.CrystalAxisSiteMoments property) CrystalAxisSiteMoments (class in httk.atomistic) (class in httk.atomistic.models.moments) (class in httk.atomistic.models.moments.crystalaxis) CrystalAxisSiteMomentsView (class in httk.atomistic) (class in httk.atomistic.models.moments) (class in httk.atomistic.models.moments.crystalaxis_view) ctime (httk.core.entry_types.File attribute) (httk.core.File attribute) (httk.core.FileRecord attribute) (httk.core.files.FileRecord attribute) (httk.workflow.languages.cwl.FileRecord attribute) cubic_supercell() (httk.atomistic.models.structure.unitcell.UnitcellStructure method) (httk.atomistic.models.structure.UnitcellStructure method) (httk.atomistic.UnitcellStructure method) (in module httk.atomistic) (in module httk.atomistic.supercell) cubicity_score (httk.atomistic.supercell.SupercellResult attribute) (httk.atomistic.SupercellResult attribute) cur (httk.serve.optimade.backend.execution.StoreResults attribute) (httk.serve.optimade.backend.StoreResults attribute) cursor (httk.serve.web.providers.TableRequest attribute) (httk.serve.web.TableRequest attribute) cursor() (httk.serve.optimade.backend.memory_store.MemoryResultSet method) (httk.serve.optimade.remote_query.RemoteResultSet method) (httk.serve.optimade.RemoteResultSet method) (httk.store.backend.sql.results.SqlResultSet method) (httk.store.federated_store.FederatedResultSet method) (httk.store.FederatedResultSet method) cwd (httk.core.cli.CLIContext attribute) (httk.core.CLIContext attribute) (httk.serve.web.cli.CLIContextLike property) CwlImportError CwlNotes (class in httk.workflow.languages.cwl)

D

data (httk.core.dataset_loader.DatasetLoader property) (httk.core.DatasetLoader property) (httk.workflow.Attempt attribute) (httk.workflow.ChildResult attribute) (httk.workflow.collecting.JobRecord property) (httk.workflow.JobRecord property) (httk.workflow.sdk.Attempt attribute) (httk.workflow.sdk.ChildResult attribute) data_address (httk.serve.dsp.DatasetProfile attribute) (httk.serve.dsp.models.DatasetProfile attribute) data_generation (httk.workflow.ChildResult attribute) (httk.workflow.collecting.JobRecord attribute) (httk.workflow.JobRecord attribute) (httk.workflow.protocol.AttemptContext attribute) (httk.workflow.protocol.StateFrame property) (httk.workflow.runtime.AttemptContext attribute) (httk.workflow.sdk.ChildResult attribute) data_home() (in module httk.core.userdirs) (in module httk.workflow.configuration) data_index (httk.core.optimade.OptimadeResource attribute) (httk.core.optimade.resources.OptimadeResource attribute) data_mode (httk.workflow.ChildSpec attribute) (httk.workflow.protocol.JobDefinition attribute) (httk.workflow.protocol.JobSpec attribute) (httk.workflow.scaffold.ResolvedWorkflow attribute) (httk.workflow.scaffold.WorkflowProvider attribute) (httk.workflow.sdk.ChildSpec attribute) data_path (httk.workflow.collecting.JobRecord attribute) (httk.workflow.JobRecord attribute) data_service (httk.serve.dsp.DatasetProfile attribute) (httk.serve.dsp.DistributionProfile attribute) (httk.serve.dsp.models.DatasetProfile attribute) (httk.serve.dsp.models.DistributionProfile attribute) database (httk.serve.optimade.model.config.OptimadeConfig attribute) (httk.serve.optimade.model.OptimadeConfig attribute) (httk.serve.optimade.OptimadeConfig attribute) (httk.store.backend.mongo.database.MongoDatabase property) (httk.store.backend.mongo.leases.Lease attribute) database() (in module httk.store.backend.clickhouse.engine) (in module httk.store.backend.duckdb.engine) (in module httk.store.backend.postgresql.engine) (in module httk.store.backend.sqlite.engine) DataRecord (class in httk.core) (class in httk.core.data_records) DataRecordEntry (class in httk.core) (class in httk.core.data_records) DataRecordEntryProvider (class in httk.store) (class in httk.store.entry_providers) DataServiceProfile (class in httk.serve.dsp) (class in httk.serve.dsp.models) Dataset (class in httk.core) (class in httk.core.datasets) dataset (httk.serve.dsp.config.DspDatasetPublication attribute) (httk.serve.dsp.config.DspPublicationRecord attribute) (httk.serve.dsp.DatasetProfile attribute) (httk.serve.dsp.DspDatasetPublication attribute) (httk.serve.dsp.DspPublicationRecord attribute) (httk.serve.dsp.models.DatasetProfile attribute) dataset_ids (httk.core.dataset_loader.DatasetMeta attribute) (httk.core.DatasetMeta attribute) DatasetDistribution (class in httk.core) (class in httk.core.datasets) DatasetLoader (class in httk.core) (class in httk.core.dataset_loader) DatasetLoaderRecord (class in httk.core) (class in httk.core.dataset_loader) DatasetMeta (class in httk.core) (class in httk.core.dataset_loader) DatasetProfile (class in httk.serve.dsp) (class in httk.serve.dsp.models) DatasetRecord (class in httk.core) (class in httk.core.datasets) datasets (httk.serve.dsp.CatalogueProfile attribute) (httk.serve.dsp.models.CatalogueProfile attribute) DatastreamLike (in module httk.core) (in module httk.core.datastream) DatastreamStructure (class in httk.atomistic) (class in httk.atomistic.models.structure) (class in httk.atomistic.models.structure.datastream) DatastreamURL (class in httk.core) (class in httk.core.datastream) (class in httk.core.datastream.datastream_url) DCAT_AP_3_0_1_PROFILE (in module httk.serve.dsp) (in module httk.serve.dsp.config) dcat_ap_content_negotiation (httk.serve.dsp.config.DspProviderConfig attribute) (httk.serve.dsp.DspProviderConfig attribute) dcat_ap_content_negotiation_profile (httk.serve.dsp.config.DspProviderConfig attribute) (httk.serve.dsp.DspProviderConfig attribute) DCAT_AP_MINIMAL_CONTENT_NEGOTIATION (in module httk.serve.dsp) (in module httk.serve.dsp.config) DCAT_AP_MINIMAL_PROFILE (in module httk.serve.dsp) (in module httk.serve.dsp.config) dcat_ap_profile (httk.serve.dsp.CatalogueProfile attribute) (httk.serve.dsp.config.DspProviderConfig attribute) (httk.serve.dsp.DspProviderConfig attribute) (httk.serve.dsp.models.CatalogueProfile attribute) dcat_catalogue() (httk.serve.dsp.DspProvider method) (httk.serve.dsp.provider.DspProvider method) dcat_data_services (httk.serve.dsp.CatalogueProfile attribute) (httk.serve.dsp.models.CatalogueProfile attribute) DCAT_MEDIA_TYPE (in module httk.serve.dsp) (in module httk.serve.dsp.api) (in module httk.serve.dsp.catalogue) DCAT_PROFILE (in module httk.serve.dsp) (in module httk.serve.dsp.api) (in module httk.serve.dsp.catalogue) DcatDataServiceProfile (class in httk.serve.dsp) (class in httk.serve.dsp.models) dead (httk.workflow.manifests.MaintenanceLock property) decimal_precision() (in module httk.core) (in module httk.core.precision) declaration (httk.store.backend.sql.layout.StorageLayout property) (httk.store.storage_layout.StorageLayout property) declaration() (httk.workflow.Attempt method) (httk.workflow.sdk.Attempt method) declaration_file (httk.workflow.scaffold.ResolvedWorkflow attribute) (httk.workflow.scaffold.WorkflowProvider attribute) declaration_json() (in module httk.store.backend.sql.layout) (in module httk.store.storage_layout) DECLARATION_PROTOCOL_VERSION (in module httk.store.storage_layout) declaration_uri (httk.workflow.scaffold.ResolvedWorkflow attribute) (httk.workflow.scaffold.WorkflowProvider attribute) declarations (httk.workflow.ChildSpec attribute) (httk.workflow.collecting.JobRecord attribute) (httk.workflow.JobRecord attribute) (httk.workflow.protocol.JobDefinition attribute) (httk.workflow.protocol.JobSpec attribute) (httk.workflow.scaffold.ResolvedWorkflow attribute) (httk.workflow.scaffold.WorkflowProvider attribute) (httk.workflow.sdk.ChildSpec attribute) declarations_of() (in module httk.workflow.collecting) declare() (httk.workflow.Attempt method) (httk.workflow.sdk.Attempt method) declared (httk.workflow.protocol.JobDefinition attribute) (httk.workflow.protocol.JobSpec attribute) decode (httk.store.backend.codecs.ValueCodec attribute) decode_field() (in module httk.store.backend.sql.rows) decode_fraction_exact() (in module httk.store.backend.codecs) decode_fracvector_exact() (in module httk.store.backend.codecs) decode_optimade_value() (in module httk.core.optimade) (in module httk.core.optimade.entries) decode_record() (in module httk.store.backend.mongo.documents) decode_surdscalar_exact() (in module httk.store.backend.codecs) decode_value() (httk.core.optimade.entries.OptimadeEntryBackend method) (httk.core.optimade.OptimadeEntryBackend method) DecodeObjectCallback (in module httk.core.dataset_loader) decomposition() (httk.analyse.generic.lower_hull.LowerConvexHull method) (httk.analyse.generic.LowerConvexHull method) (httk.analyse.matsci.phase_diagrams.PhaseDiagram method) (httk.analyse.matsci.PhaseDiagram method) decompress_files() (in module httk.workflow.runtime_utils) decorate_table() (in module httk.store.backend.clickhouse.support) DecorationInput (in module httk.atomistic.models.species.species) dedup (httk.core.storage.markers.StorageInfo attribute) (httk.core.storage.StorageInfo attribute) (httk.core.StorageInfo attribute) (httk.store.backend.schema.TableSchema attribute) DedupPolicy (in module httk.core.storage) (in module httk.core.storage.markers) default (httk.core.project.templates.TemplateParameter attribute) default() (httk.workflow.Workspace class method) default_accuracy (in module httk.core.exactmath) DEFAULT_BACKUP_COUNT (in module httk.core.report) DEFAULT_CAPTURE_LIMIT (in module httk.workflow.supervision) DEFAULT_COLLECT_STATES (in module httk.workflow.collecting) DEFAULT_CONTENT_EXTENSIONS (in module httk.serve.web.engine.discovery) DEFAULT_DATA_PREFIX (in module httk.workflow.languages.jobflow) DEFAULT_DIAGNOSTIC_LIMIT (in module httk.workflow.supervision) DEFAULT_FOLLOW_INTERVAL (in module httk.workflow.supervision) DEFAULT_KPOINT_CENTERING (in module httk.workflow.vasp) default_link_id (httk.serve.optimade.model.config.OptimadeIndexConfig attribute) (httk.serve.optimade.model.OptimadeIndexConfig attribute) (httk.serve.optimade.OptimadeIndexConfig attribute) DEFAULT_LOGGER (in module httk.core.report) DEFAULT_MANIFEST_EXCLUSIONS (in module httk.core.project) (in module httk.core.project.manifests) (in module httk.workflow.projects) DEFAULT_MAXIMUM_BYTES (in module httk.core.report) DEFAULT_MAXIMUM_EMBEDDED_BYTES (in module httk.workflow.languages.pwd) DEFAULT_NETWORK_TIMEOUT (in module httk.core.datastream.network_policy) DEFAULT_OFFER_STATES (in module httk.workflow.transfers) DEFAULT_PAGE_SIZE (in module httk.serve.web.widgets.table) DEFAULT_PLACEMENT (in module httk.workflow.scaffold) default_project_keys() (in module httk.core.project) (in module httk.core.project.sealing) DEFAULT_REMEDY_HISTORY (in module httk.workflow.vasp) default_response_fields (httk.serve.optimade.schema.served.ServedSchema attribute) default_response_properties (httk.serve.optimade.client.RemoteEntryType attribute) (httk.serve.optimade.RemoteEntryType attribute) DEFAULT_TAG (in module httk.core.building) DEFAULT_TAIL_LIMIT (in module httk.workflow.supervision) default_target (httk.core.docs.ComposeResult attribute) (httk.core.docs.sitetree.ComposeResult attribute) DEFAULT_TICK_INTERVAL (in module httk.workflow.supervision) DEFAULT_TOKEN_TTL_SECONDS (in module httk.serve.web.widgets.table) DEFAULT_TOLERANCE (in module httk.atomistic) (in module httk.atomistic.symmetry.recognition) DefaultCallbackSender (in module httk.serve.dsp) (in module httk.serve.dsp.callbacks) DeferredFinalizer (class in httk.store.backend.sql.bulk_deferred) definition (httk.store.backend.sql.stored_properties.StoredPropertySqlPlan attribute) definition_fulltype() (in module httk.store.served_specs) definition_id (httk.atomistic.entries.structures.StructureEntry attribute) (httk.atomistic.entries.trajectories.TrajectoryEntry attribute) (httk.atomistic.StructureEntry attribute) (httk.atomistic.TrajectoryEntry attribute) (httk.core.data_records.DataRecord attribute) (httk.core.data_records.DataRecordEntry attribute) (httk.core.DataRecord attribute) (httk.core.DataRecordEntry attribute) (httk.core.EntryTypeDefinition property) (httk.core.FileEntry attribute) (httk.core.files.FileEntry attribute) (httk.core.property_definitions.EntryTypeDefinition property) (httk.core.property_definitions.PropertyDefinition property) (httk.core.PropertyDefinition property) (httk.core.provenance.RunEntry attribute) (httk.core.register.entries.OptimadeEntryBinding attribute) (httk.core.register.OptimadeEntryBinding attribute) (httk.core.RunEntry attribute) (httk.serve.dsp.config.DspPublicationEntry attribute) (httk.serve.dsp.DspPublicationEntry attribute) (httk.serve.optimade.client.RemoteEntryType attribute) (httk.serve.optimade.RemoteEntryType attribute) (httk.store.backend.sql.layout.EntryFamilyLayout attribute) (httk.store.backend.sql.provenance_edges.StrongLinkFamily attribute) (httk.store.EntryFamilyDeclaration attribute) (httk.store.EntryRecordDeclaration attribute) (httk.store.storage_layout.EntryFamilyDeclaration attribute) (httk.store.storage_layout.EntryFamilyLayout attribute) (httk.store.storage_layout.EntryRecordDeclaration attribute) degraded (httk.store.backend.sql.engine.Backend property) degrees() (in module httk.core.vectors.vectormath) delete() (httk.workflow.JobState method) deleted (httk.store.backend.mongo.fsck.FsckCollectionSummary attribute) (httk.store.backend.sql.fsck.FsckTableSummary attribute) deliver_with_retries() (in module httk.serve.http) (in module httk.serve.http.webhook) delivery (httk.serve.dsp.models.NegotiationRecord attribute) (httk.serve.dsp.models.TransferRecord attribute) (httk.serve.dsp.NegotiationRecord attribute) (httk.serve.dsp.TransferRecord attribute) DeliveryStatus (class in httk.serve.dsp) (class in httk.serve.dsp.models) denom (httk.core.vectors.fracvector.FracVectorBase attribute) (httk.core.vectors.vector_frac_view.VectorFracView property) (httk.core.vectors.VectorFracView property) dependency_doc_targets() (in module httk.core.docs) (in module httk.core.docs.release) dependency_order() (httk.store.backend.sql.graph.LogicalEdgeGraph method) derive_internal_intersphinx_mapping() (in module httk.core.docs.sphinx_ext) derive_seed() (in module httk.workflow.vasp) derive_structure_features() (in module httk.atomistic.composition) derived (httk.store.backend.schema.FieldSpec attribute) derived_endpoint_name() (in module httk.serve.optimade.schema.served) DerivedPrototype (class in httk.atomistic.models.prototype.derived) descending (httk.store.PageOrder attribute) (httk.store.query.PageOrder attribute) (httk.store.query.protocols.PageOrder attribute) describe() (httk.workflow.manifests.MaintenanceLock method) describe_project() (in module httk.core.project.cli) describe_remote() (in module httk.workflow.hygiene) describe_runner() (in module httk.workflow.scaffold) description (httk.core.Dataset attribute) (httk.core.datasets.Dataset attribute) (httk.core.entry_provider.RelatedEntry attribute) (httk.core.entry_types.File attribute) (httk.core.EntryTypeDefinition property) (httk.core.File attribute) (httk.core.FileRecord attribute) (httk.core.files.FileRecord attribute) (httk.core.plugins.installed.PluginManifest attribute) (httk.core.plugins.installed.PluginProgram attribute) (httk.core.plugins.manifest.PluginManifest attribute) (httk.core.plugins.manifest.PluginProgram attribute) (httk.core.plugins.PluginManifest attribute) (httk.core.plugins.PluginProgram attribute) (httk.core.project.templates.ProjectTemplate attribute) (httk.core.project.templates.TemplateParameter attribute) (httk.core.property_definitions.EntryTypeDefinition property) (httk.core.property_definitions.PropertyDefinition property) (httk.core.PropertyDefinition property) (httk.core.Related attribute) (httk.core.RelatedEntry attribute) (httk.core.storage.markers.Related attribute) (httk.core.storage.markers.StrongLink attribute) (httk.core.storage.markers.WeakLink attribute) (httk.core.storage.Related attribute) (httk.core.storage.StrongLink attribute) (httk.core.storage.WeakLink attribute) (httk.core.StrongLink attribute) (httk.core.WeakLink attribute) (httk.serve.dsp.CatalogueProfile attribute) (httk.serve.dsp.models.CatalogueProfile attribute) (httk.store.backend.schema.LinkSpec attribute) (httk.workflow.compat.v1.V1FinishedTask attribute) (httk.workflow.configuration.ConfigKey attribute) (httk.workflow.languages.cwl.FileRecord attribute)

description() (httk.workflow.Runner method) (httk.workflow.sdk.Runner method) det() (httk.core.SurdVector method) (httk.core.vectors.fracvector.FracVectorBase method) (httk.core.vectors.SurdVector method) (httk.core.vectors.surdvector.SurdVector method) detach() (httk.core.BytestreamFileView method) (httk.core.datastream.bytestream_file_view.BytestreamFileView method) (httk.core.datastream.BytestreamFileView method) (httk.core.datastream.textstream_file_view.TextstreamFileView method) (httk.core.datastream.TextstreamFileView method) (httk.core.TextstreamFileView method) (httk.workflow.Workspace method) detach_job() (in module httk.workflow.transfers) detail (httk.serve.dsp.DspProtocolError attribute) (httk.serve.dsp.models.DspProtocolError attribute) (httk.serve.http.openapi.app.OpenAPIRequestError attribute) (httk.serve.http.openapi.OpenAPIRequestError attribute) (httk.serve.http.webhook.WebhookTransportError attribute) (httk.serve.http.WebhookTransportError attribute) (httk.serve.optimade.client.OptimadeDiscoveryError attribute) (httk.serve.optimade.client.OptimadeHTTPError attribute) (httk.serve.optimade.client.OptimadeTransportError attribute) (httk.serve.optimade.client.OptimadeVersionNegotiationError attribute) (httk.serve.optimade.OptimadeDiscoveryError attribute) (httk.serve.optimade.OptimadeHTTPError attribute) (httk.serve.optimade.OptimadeTransportError attribute) (httk.serve.optimade.OptimadeVersionNegotiationError attribute) (httk.store.FilterTranslationError attribute) (httk.store.query.optimade_filters.FilterTranslationError attribute) (httk.workflow.protocol.RecordVerification attribute) details (httk.workflow.hygiene.Finding attribute) (httk.workflow.protocol.Failure attribute) determinant() (httk.atomistic.AffineOperation method) (httk.atomistic.SettingTransform method) (httk.atomistic.symmetry.affine_operation.AffineOperation method) (httk.atomistic.symmetry.AffineOperation method) (httk.atomistic.symmetry.setting_transform.SettingTransform method) (httk.atomistic.symmetry.SettingTransform method) determine_optimade_version() (in module httk.serve.optimade.engine) (in module httk.serve.optimade.engine.validate) diagnose_vasp_files() (in module httk.workflow.vasp) Diagnostic (class in httk.workflow.supervision) diagnostics (httk.atomistic.ChemicalFormulaView property) (httk.atomistic.Composition attribute) (httk.atomistic.CompositionView property) (httk.atomistic.FormulatypeView property) (httk.atomistic.models.formula.api.ChemicalFormulaAPI property) (httk.atomistic.models.formula.ChemicalFormulaAPI property) (httk.atomistic.models.formula.ChemicalFormulaView property) (httk.atomistic.models.formula.Composition attribute) (httk.atomistic.models.formula.composition.Composition attribute) (httk.atomistic.models.formula.composition_view.CompositionView property) (httk.atomistic.models.formula.CompositionView property) (httk.atomistic.models.formula.formula_view.ChemicalFormulaView property) (httk.atomistic.models.formula.formulatype_view.FormulatypeView property) (httk.atomistic.models.formula.FormulatypeView property) (httk.atomistic.models.formula.plain.PlainComposition property) (httk.atomistic.models.formula.record.RecordComposition property) (httk.atomistic.models.formula.structure.StructureComposition property) (httk.atomistic.models.formula.wyckoff.WyckoffComposition property) (httk.workflow.supervision.ProcessReport attribute) (httk.workflow.vasp.VaspRunReport attribute) diff (httk.store.backend.sql.layout.StorageLayoutUpgradeRequiredError attribute) (httk.store.storage_layout.StorageLayoutUpgradeRequiredError attribute) diff_records() (in module httk.core.project) (in module httk.core.project.sealing) digest (httk.workflow.protocol.JobDefinition property) dim (httk.core.SurdVector property) (httk.core.vectors.fracvector.FracVectorBase property) (httk.core.vectors.SurdVector property) (httk.core.vectors.surdvector.SurdVector property) (httk.core.vectors.vector_api.VectorAPI property) (httk.core.vectors.vector_native_backend.VectorNativeBackend property) (httk.core.vectors.vector_numpy_backend.VectorNumpyBackend property) (httk.core.vectors.VectorAPI property) (httk.core.vectors.VectorNativeBackend property) dimension_slices (httk.serve.optimade.model.request.ValidatedParameters attribute) (httk.serve.optimade.model.ValidatedParameters attribute) (httk.serve.optimade.ValidatedParameters attribute) dimension_types (httk.atomistic.models.structure.api.StructureAPI property) (httk.atomistic.models.structure.optimade.OptimadeStructure property) (httk.atomistic.models.structure.OptimadeStructure property) (httk.atomistic.models.structure.semantics.StructureSemanticsMixin property) (httk.atomistic.models.structure.StructureAPI property) (httk.atomistic.models.structure.StructureSemanticsMixin property) (httk.atomistic.OptimadeStructure property) dimensions (httk.core.property_definitions.PropertyDefinition property) (httk.core.PropertyDefinition property) (httk.serve.optimade.backend.partial.PartialValue attribute) (httk.serve.optimade.backend.PartialValue attribute) directory (httk.workflow.compat.v1.V1FinishedTask attribute) (httk.workflow.languages.cwl.LanguageRequest attribute) (httk.workflow.languages.httk_v1.LanguageRequest attribute) (httk.workflow.languages.jobflow.LanguageRequest attribute) (httk.workflow.languages.LanguageRequest attribute) (httk.workflow.languages.pwd.LanguageRequest attribute) (httk.workflow.scaffold.ResolvedWorkflow attribute) (httk.workflow.scaffold.WorkflowProvider attribute) discard_staged_bundle() (in module httk.workflow.transfers) discover() (httk.workflow.Workspace class method) discover_project() (in module httk.core.project) (in module httk.core.project.anchor) (in module httk.workflow.projects) discovery_budget (httk.workflow.TaskManager attribute) discrepancies (httk.core.project.sealing.SealVerification attribute) (httk.core.project.SealVerification attribute) Discrepancy (class in httk.core.project) (class in httk.core.project.sealing) discriminator (httk.atomistic.models.protostructure.api.ProtostructureAPI property) (httk.atomistic.models.protostructure.label.ProtostructureLabel property) (httk.atomistic.models.protostructure.Protostructure property) (httk.atomistic.models.protostructure.protostructure.Protostructure property) (httk.atomistic.models.protostructure.ProtostructureAPI property) (httk.atomistic.models.protostructure.recognized.RecognizedProtostructure property) (httk.atomistic.models.prototype.api.PrototypeAPI property) (httk.atomistic.models.prototype.derived.DerivedPrototype property) (httk.atomistic.models.prototype.label.PrototypeLabel property) (httk.atomistic.models.prototype.label_string.PrototypeLabelString property) (httk.atomistic.models.prototype.Prototype property) (httk.atomistic.models.prototype.prototype.Prototype property) (httk.atomistic.models.prototype.PrototypeAPI property) (httk.atomistic.models.prototype.recognized.RecognizedPrototype property) (httk.atomistic.Protostructure property) (httk.atomistic.ProtostructureLabel property) (httk.atomistic.ProtostructureRecord attribute) (httk.atomistic.Prototype property) (httk.atomistic.PrototypeLabel property) (httk.atomistic.PrototypeRecord attribute) (httk.atomistic.storage.ProtostructureRecord attribute) (httk.atomistic.storage.PrototypeRecord attribute) (httk.atomistic.storage.records.ProtostructureRecord attribute) (httk.atomistic.storage.records.PrototypeRecord attribute) dispatch() (httk.core.register.PluginRegistry method) (httk.store.backend.sql.bulk_parallel.ParallelController method) DISPATCH_CONTENT_ID_COLUMN (in module httk.store.backend.sql.mapping) dispatch_index_specs() (in module httk.store.backend.mongo.mapping) dispatch_table_for() (in module httk.store.backend.sql.mapping) dispatch_validator_for() (in module httk.store.backend.mongo.mapping) dispose() (httk.store.backend.mongo.database.MongoDatabase method) (httk.store.backend.sql.engine.Backend method) distinct_count() (httk.core.storage.QueryContext method) (httk.core.storage.stored_properties.QueryContext method) distribution (httk.core.docs.config.InternalDependency attribute) (httk.core.docs.InternalDependency attribute) (httk.serve.dsp.config.DspDatasetPublication property) (httk.serve.dsp.DatasetProfile attribute) (httk.serve.dsp.DspDatasetPublication property) (httk.serve.dsp.models.DatasetProfile attribute) distribution_id (httk.serve.dsp.config.DspDatasetPublication property) (httk.serve.dsp.DspDatasetPublication property) DistributionProfile (class in httk.serve.dsp) (class in httk.serve.dsp.models) distributions (httk.core.Dataset attribute) (httk.core.datasets.Dataset attribute) DOCKER_CAPABILITY (in module httk.workflow.languages.cwl) document (httk.core.optimade.OptimadeResource attribute) (httk.core.optimade.resources.OptimadeResource attribute) (httk.workflow.languages.cwl.LanguageRequest attribute) (httk.workflow.languages.httk_v1.LanguageRequest attribute) (httk.workflow.languages.jobflow.LanguageRequest attribute) (httk.workflow.languages.LanguageRequest attribute) (httk.workflow.languages.pwd.LanguageRequest attribute) (httk.workflow.scaffold.ResolvedWorkflow attribute) (httk.workflow.scaffold.WorkflowProvider attribute) document() (httk.serve.http.openapi.contract.OpenAPIContract method) (httk.serve.http.openapi.OpenAPIContract method) document_fields_for() (in module httk.store.backend.mongo.mapping) DOCUMENT_FILE (in module httk.workflow.languages.cwl) (in module httk.workflow.languages.jobflow) (in module httk.workflow.languages.pwd) document_from_maker() (in module httk.workflow.languages.jobflow) document_label() (in module httk.core.docs.sphinx_ext) document_path (httk.workflow.scaffold.ResolvedWorkflow attribute) document_policy (httk.workflow.languages.cwl.WorkflowLanguage attribute) (httk.workflow.languages.httk_v1.WorkflowLanguage attribute) (httk.workflow.languages.jobflow.WorkflowLanguage attribute) (httk.workflow.languages.pwd.WorkflowLanguage attribute) (httk.workflow.languages.WorkflowLanguage attribute) DocumentFieldSpec (class in httk.store.backend.mongo.mapping) DocumentPolicy (in module httk.workflow.languages) documents (httk.workflow.languages.cwl.LanguageScaffold attribute) (httk.workflow.languages.httk_v1.LanguageScaffold attribute) (httk.workflow.languages.jobflow.LanguageScaffold attribute) (httk.workflow.languages.LanguageScaffold attribute) (httk.workflow.languages.pwd.LanguageScaffold attribute) DocumentSignature (class in httk.core.identity) doi (httk.core.entry_types.Reference attribute) (httk.core.Reference attribute) domain_sites (httk.atomistic.FundamentalDomainStructure property) (httk.atomistic.FundamentalDomainStructureRecord attribute) (httk.atomistic.models.structure.asu.FundamentalDomainStructure property) (httk.atomistic.models.structure.FundamentalDomainStructure property) (httk.atomistic.storage.FundamentalDomainStructureRecord attribute) (httk.atomistic.storage.records.FundamentalDomainStructureRecord attribute) domain_species_at_sites (httk.atomistic.FundamentalDomainStructure property) (httk.atomistic.models.structure.asu.FundamentalDomainStructure property) (httk.atomistic.models.structure.FundamentalDomainStructure property) dot() (httk.core.SurdVector method) (httk.core.vectors.fracvector.FracVectorBase method) (httk.core.vectors.SurdVector method) (httk.core.vectors.surdvector.SurdVector method) double_precision (httk.atomistic.integrations.vasp.io.wavecar.WavecarFile attribute) (httk.atomistic.PlaneWaveFunctions property) (httk.atomistic.wavefunction.PlaneWaveFunctions property) drain_automatic() (httk.serve.dsp.DspProvider method) (httk.serve.dsp.provider.DspProvider method) dropped_diagnostics (httk.workflow.supervision.ProcessReport attribute) DSP_2025_1_SPECIFICATION (in module httk.serve.dsp) (in module httk.serve.dsp.config) dsp_catalogue() (httk.serve.dsp.DspProvider method) (httk.serve.dsp.provider.DspProvider method) DSP_CONTEXT (in module httk.serve.dsp) (in module httk.serve.dsp.config) dsp_contract() (in module httk.serve.dsp.validation) dsp_dataset() (httk.serve.dsp.DspProvider method) (httk.serve.dsp.provider.DspProvider method) DSP_MINIMAL_PROFILE (in module httk.serve.dsp) (in module httk.serve.dsp.config) dsp_mount (httk.serve.dsp.config.DspProviderConfig attribute) (httk.serve.dsp.DspProviderConfig attribute) dsp_profile (httk.serve.dsp.config.DspProviderConfig attribute) (httk.serve.dsp.DspProviderConfig attribute) DSP_VERSION (in module httk.serve.dsp) (in module httk.serve.dsp.config) DspCataloguePolicy (class in httk.serve.dsp) (class in httk.serve.dsp.catalogue) DspCatalogueRepresentation (class in httk.serve.dsp) (class in httk.serve.dsp.catalogue) DspDatasetPublication (class in httk.serve.dsp) (class in httk.serve.dsp.config) DspProtocolError, [1] DspProvider (class in httk.serve.dsp) (class in httk.serve.dsp.provider) DspProviderConfig (class in httk.serve.dsp) (class in httk.serve.dsp.config) DspPublicationEntry (class in httk.serve.dsp) (class in httk.serve.dsp.config) DspPublicationRecord (class in httk.serve.dsp) (class in httk.serve.dsp.config) DspSchemaError DspState (class in httk.serve.dsp.state) DspTransitionSuperseded, [1] duckdb() (httk.store.backend.sql.engine.Backend class method) dummy_species() (in module httk.atomistic.models.structuretype) (in module httk.atomistic.models.structuretype.anonymize) DuplicateEntryIdError durable (httk.workflow.JobState attribute) (httk.workflow.protocol.AttemptContext attribute) (httk.workflow.protocol.OutcomeDraft attribute) (httk.workflow.protocol.ReplayableWorkdirBatch attribute) (httk.workflow.protocol.TransactionBuilder attribute) (httk.workflow.runtime.AttemptContext attribute) (httk.workflow.Workspace attribute)

E

e() (in module httk.core.vectors.vectormath) EcosystemManifestError, [1] ed25519_backend_available() (in module httk.core.crypto) ed25519_generate_seed() (in module httk.core.crypto) ed25519_public_key() (in module httk.core.crypto) ed25519_sign() (in module httk.core.crypto) ed25519_verify() (in module httk.core.crypto) EdgeKind (in module httk.store.backend.sql.graph) edges (httk.store.backend.sql.graph.LogicalEdgeGraph attribute) (httk.workflow.languages.pwd.PwdDocument attribute) ediff_margin (httk.workflow.vasp.VaspPreparationOptions attribute) edition (httk.core.entry_types.Reference attribute) (httk.core.Reference attribute) editors (httk.core.entry_types.Reference attribute) (httk.core.Reference attribute) eigenvalues (httk.atomistic.integrations.vasp.io.wavecar.WavecarFile attribute) (httk.atomistic.PlaneWaveFunctions property) (httk.atomistic.wavefunction.PlaneWaveFunctions property) elastic_moduli (httk.atomistic.integrations.vasp.io.outcar.OutcarFile property) (httk.atomistic.integrations.vasp.io.OutcarFile property) ElasticModuliBlock (class in httk.atomistic.integrations.vasp.io) (class in httk.atomistic.integrations.vasp.io.outcar) element (httk.atomistic.storage.CompositionAmountRecord attribute) (httk.atomistic.storage.NormalizedCompositionAmountRecord attribute) (httk.atomistic.storage.records.CompositionAmountRecord attribute) (httk.atomistic.storage.records.NormalizedCompositionAmountRecord attribute) element_columns (httk.store.backend.schema.ChildTableSpec attribute) element_keys (httk.store.backend.mongo.mapping.DocumentFieldSpec attribute) elements (httk.analyse.matsci.phase_diagrams.PhaseDiagram property) (httk.analyse.matsci.PhaseDiagram property) (httk.atomistic.ChemicalComposition property) (httk.atomistic.Composition property) (httk.atomistic.composition.ChemicalComposition property) (httk.atomistic.models.formula.Composition property) (httk.atomistic.models.formula.composition.Composition property) (httk.atomistic.models.structure.api.StructureAPI property) (httk.atomistic.models.structure.optimade.OptimadeStructure property) (httk.atomistic.models.structure.OptimadeStructure property) (httk.atomistic.models.structure.semantics.StructureSemanticsMixin property) (httk.atomistic.models.structure.StructureAPI property) (httk.atomistic.models.structure.StructureSemanticsMixin property) (httk.atomistic.OptimadeStructure property) elements_ratios (httk.atomistic.Composition property) (httk.atomistic.models.formula.Composition property) (httk.atomistic.models.formula.composition.Composition property) (httk.atomistic.models.structure.api.StructureAPI property) (httk.atomistic.models.structure.optimade.OptimadeStructure property) (httk.atomistic.models.structure.OptimadeStructure property) (httk.atomistic.models.structure.semantics.StructureSemanticsMixin property) (httk.atomistic.models.structure.StructureAPI property) (httk.atomistic.models.structure.StructureSemanticsMixin property) (httk.atomistic.OptimadeStructure property) email (httk.core.identity.OperatorIdentity attribute) encode (httk.store.backend.codecs.ValueCodec attribute) encode_fraction_exact() (in module httk.store.backend.codecs) encode_fracvector_exact() (in module httk.store.backend.codecs) encode_fracvector_floats() (in module httk.store.backend.codecs) encode_record() (in module httk.store.backend.mongo.documents) encode_record_ref() (in module httk.workflow.protocol) encode_store_timestamp_state() (in module httk.store.store_timestamp) encode_surdscalar_exact() (in module httk.store.backend.codecs) encoding (httk.core.datastream.textstream_file_view.TextstreamFileView property) (httk.core.datastream.TextstreamFileView property) (httk.core.TextstreamFileView property) (httk.serve.optimade.EndpointResponse attribute) (httk.serve.optimade.model.EndpointResponse attribute) (httk.serve.optimade.model.request.EndpointResponse attribute) encut (httk.atomistic.integrations.vasp.io.wavecar.WavecarFile attribute) (httk.atomistic.PlaneWaveFunctions property) (httk.atomistic.wavefunction.PlaneWaveFunctions property) end (httk.atomistic.StructurePath attribute) (httk.atomistic.symmetry.paths.StructurePath attribute) endpoint (httk.serve.optimade.model.RawRequest attribute) (httk.serve.optimade.model.request.RawRequest attribute) (httk.serve.optimade.model.request.ValidatedRequest attribute) (httk.serve.optimade.model.ValidatedRequest attribute) (httk.serve.optimade.RawRequest attribute) (httk.serve.optimade.ValidatedRequest attribute) endpoint_description (httk.core.Service attribute) (httk.core.services.Service attribute) (httk.serve.dsp.DcatDataServiceProfile attribute) (httk.serve.dsp.models.DcatDataServiceProfile attribute) endpoint_path (httk.serve.optimade.model.request.ValidatedRequest attribute) (httk.serve.optimade.model.ValidatedRequest attribute) (httk.serve.optimade.ValidatedRequest attribute) endpoint_url (httk.core.Service attribute) (httk.core.services.Service attribute) (httk.serve.dsp.DataServiceProfile attribute) (httk.serve.dsp.DcatDataServiceProfile attribute) (httk.serve.dsp.models.DataServiceProfile attribute) (httk.serve.dsp.models.DcatDataServiceProfile attribute) EndpointResponse (class in httk.serve.optimade) (class in httk.serve.optimade.model) (class in httk.serve.optimade.model.request) endswith() (httk.serve.optimade.backend.memory_store.MemoryField method) (httk.serve.optimade.backend.protocols.SearchField method) (httk.serve.optimade.backend.SearchField method) (httk.store.backend.mongo.searcher.MongoField method) (httk.store.backend.mongo.searcher.MongoLinkField method) (httk.store.backend.sql.searcher.SqlColumn method) (httk.store.federated_store.FederatedField method) (httk.store.query.protocols.SearchField method) (httk.store.query.SearchField method) (httk.store.SearchField method) energies_per_atom (httk.analyse.matsci.phase_diagrams.PhaseDiagram property) (httk.analyse.matsci.PhaseDiagram property) energy_above_hull (httk.analyse.matsci.phase_diagrams.PhaseDiagram property) (httk.analyse.matsci.PhaseDiagram property) energy_sigma0 (httk.atomistic.integrations.vasp.io.outcar.FinalEnergies attribute) (httk.atomistic.integrations.vasp.io.outcar.OutcarFrame attribute) (httk.atomistic.integrations.vasp.io.OutcarFrame attribute) energy_without_entropy (httk.atomistic.integrations.vasp.io.outcar.FinalEnergies attribute) (httk.atomistic.integrations.vasp.io.outcar.OutcarFrame attribute) (httk.atomistic.integrations.vasp.io.OutcarFrame attribute) engine (httk.serve.web.widgets.table.TableRuntime attribute) (httk.store.backend.sql.engine.Backend property) ensure_bootstrap_table() (in module httk.store.backend.clickhouse.support) ensure_collections() (httk.store.backend.mongo.store.MongoStore method) ensure_directory() (httk.workflow.Workspace method) ensure_identity_key() (in module httk.core.identity) ensure_tables() (httk.store.backend.sql.store.SqlStore method) entries (httk.core.project.sealing.SealReport attribute) (httk.core.project.SealReport attribute) entries() (httk.core.citations.Credits method) entry (httk.workflow.scaffold.ResolvedWorkflow attribute) (httk.workflow.scaffold.WorkflowProvider attribute) entry_definition_ids (httk.serve.optimade.schema.served.ServedSchema attribute) entry_dispatch_table_name() (in module httk.store.backend.mongo.mapping) (in module httk.store.backend.sql.mapping) entry_family (httk.store.backend.sql.stored_federation.StoredEntrySource attribute) entry_family_info() (in module httk.core.register) (in module httk.core.register.entries) entry_id (httk.core.provenance.RunEdge attribute) (httk.core.RunEdge attribute) (httk.store.backend.sql.store.EntryIdConflictError attribute) (httk.store.backend.sql.stored_federation.StoredEntryOrigin attribute) (httk.store.EntryIdConflictError attribute) (httk.store.store_common.EntryIdConflictError attribute) ENTRY_ID_OWNERS_TABLE_NAME (in module httk.store.backend.sql.mapping) ENTRY_ID_PATTERN (in module httk.core) (in module httk.core.entry_ids) entry_info (httk.serve.optimade.schema.served.ServedSchema attribute) entry_layout (httk.store.backend.mongo.store.MongoStore property) (httk.store.backend.sql.store.SqlStore property) (httk.store.EntryStore property) (httk.store.store_common.EntryStore property) entry_providers (in module httk.core.register) (in module httk.core.register.entries) entry_record_info() (in module httk.core.register) (in module httk.core.register.entries) entry_records (httk.store.backend.mongo.store.MongoStore property) (httk.store.backend.sql.layout.StorageLayout property) (httk.store.backend.sql.store.SqlStore property) (httk.store.storage_layout.StorageLayout property) entry_type (httk.core.entry_provider.RelatedEntry attribute) (httk.core.optimade.OptimadeSchemaSnapshot attribute) (httk.core.optimade.resources.OptimadeSchemaSnapshot attribute) (httk.core.provenance.RunEdge attribute) (httk.core.RelatedEntry attribute) (httk.core.RunEdge attribute) (httk.store.backend.sql.stored_properties.StoredPropertySqlPlan attribute) entry_type() (httk.serve.optimade.client.OptimadeStore method) (httk.serve.optimade.OptimadeStore method) entry_type_definition() (httk.atomistic.entries.structures.StructureEntry class method) (httk.atomistic.entries.trajectories.TrajectoryEntry class method) (httk.atomistic.StructureEntry class method) (httk.atomistic.TrajectoryEntry class method) entry_type_definition_from_simple() (in module httk.serve.optimade.schema.served) entry_type_definition_id (httk.atomistic.models.structure.optimade.OptimadeStructure attribute) (httk.atomistic.models.structure.OptimadeStructure attribute) (httk.atomistic.OptimadeStructure attribute) (httk.core.optimade.entries.OptimadeCalculation attribute) (httk.core.optimade.entries.OptimadeEntryBackend attribute) (httk.core.optimade.entries.OptimadeFile attribute) (httk.core.optimade.entries.OptimadeReference attribute) (httk.core.optimade.OptimadeCalculation attribute) (httk.core.optimade.OptimadeEntryBackend attribute) (httk.core.optimade.OptimadeFile attribute) (httk.core.optimade.OptimadeReference attribute)

entry_type_name (httk.core.optimade.entries.OptimadeCalculation attribute) (httk.core.optimade.entries.OptimadeEntryBackend attribute) (httk.core.optimade.entries.OptimadeFile attribute) (httk.core.optimade.entries.OptimadeReference attribute) (httk.core.optimade.OptimadeCalculation attribute) (httk.core.optimade.OptimadeEntryBackend attribute) (httk.core.optimade.OptimadeFile attribute) (httk.core.optimade.OptimadeReference attribute) entry_types (httk.serve.optimade.client.OptimadeStore property) (httk.serve.optimade.OptimadeStore property) entry_types() (httk.atomistic.entries.structures.StructureEntryProvider method) (httk.atomistic.entries.trajectories.TrajectoryEntryProvider method) (httk.atomistic.StructureEntryProvider method) (httk.atomistic.TrajectoryEntryProvider method) (httk.core.entry_provider.EntryProvider method) (httk.core.EntryProvider method) (httk.store.backend.mongo.entry_provider.StoreEntryProvider method) (httk.store.backend.sql.entry_provider.StoreEntryProvider method) (httk.store.DataRecordEntryProvider method) (httk.store.entry_providers.DataRecordEntryProvider method) (httk.store.entry_providers.RunEntryProvider method) (httk.store.entry_providers.StandardEntryProvider method) (httk.store.RunEntryProvider method) entry_types_by_name (httk.serve.optimade.client.OptimadeStore property) (httk.serve.optimade.OptimadeStore property) EntryDispatchIntegrityError, [1] EntryFamilyDeclaration (class in httk.store) (class in httk.store.storage_layout) EntryFamilyLayout (class in httk.store.backend.sql.layout) (class in httk.store.storage_layout) EntryIdConflictError, [1], [2] EntryIdScheme (class in httk.store) (class in httk.store.store_common) EntryLayoutBindingError, [1] EntryMetadataConflictError, [1] EntryProvider (class in httk.core) (class in httk.core.entry_provider) EntryRecordDeclaration (class in httk.store) (class in httk.store.storage_layout) EntryReplacementError, [1] EntrySource (class in httk.serve.optimade) (class in httk.serve.optimade.backend) (class in httk.serve.optimade.backend.adapter) EntryStore (class in httk.store) (class in httk.store.store_common) EntryTypeDefinition (class in httk.core) (class in httk.core.property_definitions) enum (httk.serve.http.openapi.app.OpenAPIParameter attribute) (httk.serve.http.openapi.OpenAPIParameter attribute) environment (httk.workflow.languages.cwl.LanguageRequest attribute) (httk.workflow.languages.cwl.WorkflowLanguage attribute) (httk.workflow.languages.httk_v1.LanguageRequest attribute) (httk.workflow.languages.httk_v1.WorkflowLanguage attribute) (httk.workflow.languages.jobflow.LanguageRequest attribute) (httk.workflow.languages.jobflow.WorkflowLanguage attribute) (httk.workflow.languages.LanguageRequest attribute) (httk.workflow.languages.pwd.LanguageRequest attribute) (httk.workflow.languages.pwd.WorkflowLanguage attribute) (httk.workflow.languages.WorkflowLanguage attribute) (httk.workflow.protocol.JobDefinition attribute) (httk.workflow.protocol.JobSpec attribute) (httk.workflow.scaffold.JobItem attribute) (httk.workflow.scaffold.ResolvedWorkflow attribute) (httk.workflow.scaffold.WorkflowProvider attribute) environment() (httk.workflow.Attempt method) (httk.workflow.sdk.Attempt method) equal() (httk.core.storage.QueryContext method) (httk.core.storage.stored_properties.QueryContext method) equivalent_atoms (httk.atomistic.io.cif.cif_parser.AsuCell attribute) erf() (in module httk.core.vectors.vectormath) erfc() (in module httk.core.vectors.vectormath) ErrorKind (in module httk.serve.dsp.models) errors (httk.core.datastream.textstream_file_view.TextstreamFileView property) (httk.core.datastream.TextstreamFileView property) (httk.core.TextstreamFileView property) esd (httk.atomistic.io.cif.cif_parser.CifMeta attribute) EU_FILE_TYPE_CSV (in module httk.serve.dsp) (in module httk.serve.dsp.config) EU_FILE_TYPE_JSON (in module httk.serve.dsp) (in module httk.serve.dsp.config) evaluate() (in module httk.store.backend.mongo.evaluator) evaluate_expression() (in module httk.workflow.runtime_utils) event (httk.workflow.supervision.SourceEvent attribute) evidence (httk.workflow.supervision.Diagnostic attribute) exact (httk.atomistic.ChemicalFormulaView property) (httk.atomistic.Composition attribute) (httk.atomistic.CompositionView property) (httk.atomistic.FormulatypeView property) (httk.atomistic.models.cell.numeric.NumericCell property) (httk.atomistic.models.cell.NumericCell property) (httk.atomistic.models.formula.api.ChemicalFormulaAPI property) (httk.atomistic.models.formula.ChemicalFormulaAPI property) (httk.atomistic.models.formula.ChemicalFormulaView property) (httk.atomistic.models.formula.Composition attribute) (httk.atomistic.models.formula.composition.Composition attribute) (httk.atomistic.models.formula.composition_view.CompositionView property) (httk.atomistic.models.formula.CompositionView property) (httk.atomistic.models.formula.formula_view.ChemicalFormulaView property) (httk.atomistic.models.formula.formulatype_view.FormulatypeView property) (httk.atomistic.models.formula.FormulatypeView property) (httk.atomistic.models.formula.plain.PlainComposition property) (httk.atomistic.models.formula.record.RecordComposition property) (httk.atomistic.models.formula.structure.StructureComposition property) (httk.atomistic.models.formula.wyckoff.WyckoffComposition property) (httk.atomistic.models.sites.numeric.NumericSites property) (httk.atomistic.models.sites.NumericSites property) (httk.atomistic.models.structure.numeric_view.NumericUnitcellStructureView property) (httk.atomistic.models.structure.NumericUnitcellStructureView property) (httk.atomistic.NumericUnitcellStructureView property) exact_equal() (httk.core.storage.QueryContext method) (httk.core.storage.stored_properties.QueryContext method) ExactInput (in module httk.atomistic.models.species.species) examined (httk.store.backend.mongo.fsck.FsckCollectionSummary attribute) (httk.store.backend.sql.fsck.FsckTableSummary attribute) ExceptionHandler (in module httk.serve.http.openapi) (in module httk.serve.http.openapi.app) excluded_members (httk.workflow.languages.cwl.LanguageRequest attribute) (httk.workflow.languages.httk_v1.LanguageRequest attribute) (httk.workflow.languages.jobflow.LanguageRequest attribute) (httk.workflow.languages.LanguageRequest attribute) (httk.workflow.languages.pwd.LanguageRequest attribute) execute() (httk.serve.web.functions.python_module.PythonFunctionHandler method) (httk.serve.web.functions.PythonFunctionHandler method) execute_build() (in module httk.core.building) execute_provider() (httk.serve.web.functions.python_module.PythonFunctionHandler method) (httk.serve.web.functions.PythonFunctionHandler method) execute_query() (in module httk.serve.optimade.backend) (in module httk.serve.optimade.backend.execution) executors (httk.workflow.TaskManager attribute) existing_logical_id (httk.store.backend.sql.store.EntryIdConflictError attribute) (httk.store.EntryIdConflictError attribute) (httk.store.store_common.EntryIdConflictError attribute) exists() (httk.core.storage.QueryContext method) (httk.core.storage.stored_properties.QueryContext method) exit_code (httk.core.project.manifests.ManifestVerification property) (httk.core.project.ManifestVerification property) (httk.workflow.manifests.ManifestVerification property) exp() (httk.core.vectors.fracvector.FracVectorBase method) (in module httk.core.exactmath) (in module httk.core.vectors.vectormath) expand_site_moments() (httk.atomistic.FundamentalDomainStructure method) (httk.atomistic.models.structure.asu.FundamentalDomainStructure method) (httk.atomistic.models.structure.FundamentalDomainStructure method) expand_sites() (httk.atomistic.FundamentalDomainStructure method) (httk.atomistic.models.structure.asu.FundamentalDomainStructure method) (httk.atomistic.models.structure.FundamentalDomainStructure method) expand_species_at_sites() (httk.atomistic.FundamentalDomainStructure method) (httk.atomistic.models.structure.asu.FundamentalDomainStructure method) (httk.atomistic.models.structure.FundamentalDomainStructure method) expected_generation (httk.workflow.protocol.TransactionBuilder attribute) expected_metadata() (in module httk.store.backend.sql.layout) ExpiredCursorRowError ExpiredLazyRecordError expm1() (in module httk.core.vectors.vectormath) export_dataset() (in module httk.store) (in module httk.store.export) export_project() (in module httk.core.project) (in module httk.core.project.export) exposed_relationship (httk.core.storage.markers.WeakLink attribute) (httk.core.storage.WeakLink attribute) (httk.core.WeakLink attribute) (httk.store.backend.schema.LinkSpec attribute) extended() (httk.core.EntryTypeDefinition method) (httk.core.property_definitions.EntryTypeDefinition method) extends_id (httk.core.EntryTypeDefinition property) (httk.core.property_definitions.EntryTypeDefinition property) extensions (httk.core.CompressionCodec attribute) (httk.core.datastream.compression.CompressionCodec attribute) (httk.core.datastream.CompressionCodec attribute) (httk.workflow.Workspace attribute) extract_fourier() (in module httk.atomistic.io.cif.mcif_parser) extract_fourier_coeffs() (in module httk.atomistic.io.cif.mcif_parser) extract_parent_q_basis() (in module httk.atomistic.io.cif.mcif_parser) extras (httk.serve.http.openapi.binding.OperationBinding attribute) (httk.serve.http.openapi.binding.OperationContext attribute) (httk.serve.http.openapi.OperationBinding attribute) (httk.serve.http.openapi.OperationContext attribute) eye() (httk.core.vectors.fracvector.FracVectorBase class method)

F

fabs() (in module httk.core.vectors.vectormath) factorial() (in module httk.core.vectors.vectormath) fail() (httk.workflow.Attempt method) (httk.workflow.sdk.Attempt method) fail_negotiation() (httk.serve.dsp.state.DspState method) fail_transfer() (httk.serve.dsp.state.DspState method) failed (httk.workflow.ChildrenView property) (httk.workflow.ChildResult property) (httk.workflow.sdk.ChildrenView property) (httk.workflow.sdk.ChildResult property) (httk.workflow.WorkCensus attribute) Failure (class in httk.workflow.protocol) failure (httk.workflow.ChildResult attribute) (httk.workflow.collecting.JobRecord attribute) (httk.workflow.JobRecord attribute) (httk.workflow.protocol.StateFrame property) (httk.workflow.sdk.ChildResult attribute) false_handler() (in module httk.serve.optimade.backend.handlers) (in module httk.store.query.optimade_filters) families (httk.store.backend.sql.layout.StorageLayout attribute) (httk.store.storage_layout.StorageLayout attribute) family (httk.store.backend.sql.layout.EntryFamilyLayout attribute) (httk.store.backend.sql.stored_properties.StoredPropertySqlPlan attribute) (httk.store.EntryFamilyDeclaration attribute) (httk.store.storage_layout.EntryFamilyDeclaration attribute) (httk.store.storage_layout.EntryFamilyLayout attribute) FederatedExpression (class in httk.store.federated_store) FederatedField (class in httk.store.federated_store) FederatedResultColumn (class in httk.store.federated_store) FederatedResultSet (class in httk.store) (class in httk.store.federated_store) FederatedSearcher (class in httk.store) (class in httk.store.federated_store) FederatedSourceError, [1] FederatedStore (class in httk.store) (class in httk.store.federated_store) FederatedStoreError, [1] FederatedTarget (class in httk.store) (class in httk.store.federated_store) FederatedVariable (class in httk.store.federated_store) federations (httk.serve.optimade.backend.StoredBackendAdapter attribute) (httk.serve.optimade.backend.stores.StoredBackendAdapter attribute) (httk.serve.optimade.StoredBackendAdapter attribute) fetch (httk.serve.optimade.backend.partial.PartialValue attribute) (httk.serve.optimade.backend.PartialValue attribute) fetch() (httk.store.backend.mongo.store.MongoStore method) (httk.store.backend.sql.store.SqlStore method) (httk.store.backend.sql.stored_federation.StoredEntryFederation method) (httk.store.EntryStore method) (httk.store.store_common.EntryStore method) (in module httk.core) (in module httk.core.fetching) fetch_alternative() (httk.store.backend.sql.stored_federation.StoredEntryFederation method) fetch_by_content_id() (httk.store.backend.mongo.store.MongoStore method) (httk.store.backend.sql.store.SqlStore method) fetch_entry() (httk.store.backend.mongo.store.MongoStore method) (httk.store.backend.sql.store.SqlStore method) fetch_inventory() (in module httk.core.docs) (in module httk.core.docs.inventories) fetch_many() (httk.store.backend.mongo.store.MongoStore method) (httk.store.backend.sql.store.SqlStore method) (httk.store.EntryStore method) (httk.store.store_common.EntryStore method) fetch_revision() (httk.store.backend.sql.stored_federation.StoredEntryFederation method) field (httk.store.backend.mongo.evaluator.MongoValue attribute) (httk.store.backend.mongo.mapping.DocumentFieldSpec attribute) (httk.store.backend.mongo.searcher.ComparisonNode attribute) (httk.store.backend.mongo.searcher.IsInNode attribute) (httk.store.backend.mongo.searcher.StringMatchNode attribute) (httk.store.backend.schema.FieldSpec attribute) field() (httk.core.storage.QueryScope method) (httk.core.storage.stored_properties.QueryScope method) (httk.store.backend.mongo.evaluator.MongoScope method) (httk.store.backend.schema.TableSchema method) field_handlers (httk.serve.optimade.backend.adapter.BackendAdapter attribute) (httk.serve.optimade.backend.BackendAdapter attribute) (httk.serve.optimade.BackendAdapter attribute) field_id_has_handlers() (in module httk.store.backend.sql.optimade) field_unknown_handler() (in module httk.store.query.optimade_filters) FieldExtractor (in module httk.serve.optimade.backend.adapter) FieldRole (in module httk.store.backend.schema) fields (httk.core.dataset_loader.DatasetMeta attribute) (httk.core.DatasetMeta attribute) (httk.serve.optimade.backend.adapter.EntrySource attribute) (httk.serve.optimade.backend.EntrySource attribute) (httk.serve.optimade.EntrySource attribute) (httk.store.backend.schema.TableSchema attribute) FieldSpec (class in httk.store.backend.schema) File (class in httk.core) (class in httk.core.entry_types) file (httk.core.plugins.installed.PluginProgram attribute) (httk.core.plugins.manifest.PluginProgram attribute) (httk.core.plugins.PluginProgram attribute) file_format (httk.serve.dsp.config.DspDatasetPublication property) (httk.serve.dsp.DistributionProfile attribute) (httk.serve.dsp.DspDatasetPublication property) (httk.serve.dsp.models.DistributionProfile attribute) file_records() (in module httk.core.records) FileEntry (class in httk.core) (class in httk.core.files) FileEntryProvider (class in httk.store) (class in httk.store.entry_providers) FileRecord (class in httk.core) (class in httk.core.files) (class in httk.workflow.languages.cwl) files (httk.core.project.templates.ProjectTemplate attribute) (httk.workflow.languages.cwl.LanguageScaffold attribute) (httk.workflow.languages.httk_v1.LanguageScaffold attribute) (httk.workflow.languages.jobflow.LanguageScaffold attribute) (httk.workflow.languages.LanguageScaffold attribute) (httk.workflow.languages.pwd.LanguageScaffold attribute) (httk.workflow.scaffold.JobItem attribute) FILES_DEFINITION_ID (in module httk.core.files) FILES_DIRECTORY (in module httk.workflow.languages.cwl) (in module httk.workflow.languages.jobflow) (in module httk.workflow.languages.pwd) (in module httk.workflow.scaffold) FileView (class in httk.core.optimade) (class in httk.core.optimade.entries) filter (httk.core.report.ReportCollection attribute) (httk.serve.optimade.model.request.ValidatedParameters attribute) (httk.serve.optimade.model.ValidatedParameters attribute) (httk.serve.optimade.ValidatedParameters attribute) filter() (httk.core.report.ReportFilter method) FILTER_LENGTH_MAX (in module httk.serve.optimade.engine.validate) filter_lock_pins() (in module httk.core.docs) (in module httk.core.docs.lockfile) filter_predicate (httk.store.backend.mongo.evaluator.MongoScope attribute) filter_searcher() (in module httk.store) (in module httk.store.query.optimade_filters) filter_searchers() (httk.store.backend.mongo.stored_properties.MongoStoredPropertyPlan method) (httk.store.backend.sql.stored_properties.StoredPropertySqlPlan method) FilterAst (in module httk.core.optimade) (in module httk.core.optimade.filter) (in module httk.core.optimade.filter.parser) filtered() (httk.core.storage.QueryContext method) (httk.core.storage.stored_properties.QueryContext method) FilterTranslationCategory (in module httk.store) (in module httk.store.query.optimade_filters) FilterTranslationError, [1] final (httk.atomistic.integrations.vasp.io.outcar.FinalEnergies attribute) final_energies (httk.atomistic.integrations.vasp.io.outcar.OutcarFile property) (httk.atomistic.integrations.vasp.io.OutcarFile property) FinalEnergies (class in httk.atomistic.integrations.vasp.io.outcar) finalize (httk.workflow.languages.cwl.LanguageScaffold attribute) (httk.workflow.languages.httk_v1.LanguageScaffold attribute) (httk.workflow.languages.jobflow.LanguageScaffold attribute) (httk.workflow.languages.LanguageScaffold attribute) (httk.workflow.languages.pwd.LanguageScaffold attribute) finalize_map_maintenance (httk.store.backend.sql.layout.BackendFacts attribute) finalize_negotiation() (httk.serve.dsp.DspProvider method) (httk.serve.dsp.provider.DspProvider method) finalize_timings (httk.store.backend.sql.bulk.BulkIngest attribute) (httk.store.backend.sql.bulk_deferred.DeferredFinalizer attribute) finalized_agreement() (httk.serve.dsp.state.DspState method) finals (httk.store.backend.sql.bulk_deferred.DeferredFinalizer attribute) find_magnetic_symmetry() (in module httk.atomistic) (in module httk.atomistic.symmetry.magnetic) find_marker_at() (httk.workflow.Workspace method) find_marker_by_id() (httk.workflow.Workspace method) find_markers() (httk.workflow.Workspace method) Finding (class in httk.workflow.hygiene) finish() (httk.store.backend.sql.bulk_parallel.ParallelController method) finished_at (httk.workflow.supervision.ProcessReport attribute) finished_tasks() (in module httk.workflow.compat.v1) first (httk.atomistic.ObservableSummaryRecord attribute) (httk.atomistic.storage.ObservableSummaryRecord attribute) (httk.atomistic.storage.records.ObservableSummaryRecord attribute) (httk.atomistic.symmetry.paths.CommonSubgroupResult attribute) first() (httk.serve.optimade.backend.memory_store.MemoryResultSet method) (httk.serve.optimade.remote_query.RemoteResultSet method) (httk.serve.optimade.RemoteResultSet method) (httk.store.backend.mongo.results.MongoResultSet method) (httk.store.backend.sql.results.SqlResultSet method) (httk.store.federated_store.FederatedResultSet method) (httk.store.FederatedResultSet method) (httk.store.query.protocols.ResultSetLike method) (httk.store.query.ResultSetLike method) (httk.store.ResultSetLike method) flatten() (httk.core.vectors.fracvector.FracVectorBase method) floats() (httk.store.backend.sql.results.ResultColumn method) floor() (httk.core.vectors.fracvector.FracVectorBase method) (in module httk.core.vectors.vectormath) flush() (httk.core.BytestreamFileView method) (httk.core.datastream.bytestream_file_view.BytestreamFileView method) (httk.core.datastream.BytestreamFileView method) (httk.core.datastream.textstream_file_view.TextstreamFileView method) (httk.core.datastream.TextstreamFileView method) (httk.core.TextstreamFileView method) fmod() (in module httk.core.vectors.vectormath) follow (httk.workflow.supervision.ProcessSupervisor attribute) FollowSource (class in httk.workflow.supervision) forces (httk.atomistic.integrations.vasp.io.outcar.OutcarFrame attribute) (httk.atomistic.integrations.vasp.io.OutcarFrame attribute) forces_floats() (httk.atomistic.integrations.vasp.io.outcar.OutcarFrame method) (httk.atomistic.integrations.vasp.io.OutcarFrame method) format (httk.serve.dsp.DistributionProfile attribute) (httk.serve.dsp.models.DistributionProfile attribute) (httk.serve.dsp.models.TransferRecord attribute) (httk.serve.dsp.TransferRecord attribute) (httk.workflow.Workspace attribute) FORMAT (in module httk.atomistic.io.optimade_jsonl) format() (httk.core.report.JsonFormatter method) format_adapters (in module httk.core.register) (in module httk.core.register.io) format_alternative_id() (in module httk.core) (in module httk.core.entry_ids) format_entry_id() (in module httk.core) (in module httk.core.entry_ids) format_immutable_id() (in module httk.core) (in module httk.core.entry_ids) format_iri (httk.core.DatasetDistribution attribute) (httk.core.datasets.DatasetDistribution attribute) format_optimade_error() (in module httk.serve.optimade.endpoints) (in module httk.serve.optimade.endpoints.error) format_public_key() (in module httk.core.project) (in module httk.core.project.anchor) (in module httk.workflow.projects) format_serializers (in module httk.core.register) (in module httk.core.register.io) format_value() (in module httk.serve.optimade.backend.translation) (in module httk.store.query.optimade_filters) format_version (httk.core.property_definitions.PropertyDefinition property) (httk.core.PropertyDefinition property) FormatError, [1], [2] formula (httk.atomistic.models.protostructure.api.ProtostructureAPI property) (httk.atomistic.models.protostructure.ProtostructureAPI property) (httk.atomistic.models.structure.optimade.OptimadeStructure property) (httk.atomistic.models.structure.OptimadeStructure property) (httk.atomistic.models.structure.semantics.StructureSemanticsMixin property) (httk.atomistic.models.structure.StructureSemanticsMixin property) (httk.atomistic.OptimadeStructure property) FormulaString (class in httk.atomistic.models.formula) (class in httk.atomistic.models.formula.formula_string) Formulatype (class in httk.atomistic) (class in httk.atomistic.models.formula) (class in httk.atomistic.models.formula.formulatype) FormulatypeString (class in httk.atomistic.models.formula) (class in httk.atomistic.models.formula.formulatype_string) FormulatypeView (class in httk.atomistic) (class in httk.atomistic.models.formula) (class in httk.atomistic.models.formula.formulatype_view) forward_run_edges() (in module httk.store.backend.sql.provenance_edges) frac_coords (httk.atomistic.integrations.pymatgen.models.PymatgenStructureProtocol attribute) (httk.atomistic.integrations.pymatgen.PymatgenStructureProtocol attribute) (httk.atomistic.integrations.PymatgenStructureProtocol attribute) (httk.atomistic.PymatgenStructureProtocol attribute) FracScalar (class in httk.core) (class in httk.core.vectors) (class in httk.core.vectors.fracvector) FRACTION_EXACT_FORMAT (in module httk.store.backend.codecs) fraction_from_continued_fraction() (in module httk.core.exactmath)

fraction_to_text() (in module httk.core.storage.rational_text) fractional_site_positions (httk.atomistic.FundamentalDomainStructure property) (httk.atomistic.models.structure.asu.FundamentalDomainStructure property) (httk.atomistic.models.structure.FundamentalDomainStructure property) (httk.atomistic.models.structure.numeric_view.NumericUnitcellStructureView property) (httk.atomistic.models.structure.NumericUnitcellStructureView property) (httk.atomistic.models.structure.optimade.OptimadeStructure property) (httk.atomistic.models.structure.OptimadeStructure property) (httk.atomistic.models.structure.semantics.StructureSemanticsMixin property) (httk.atomistic.models.structure.StructureSemanticsMixin property) (httk.atomistic.NumericUnitcellStructureView property) (httk.atomistic.OptimadeStructure property) fractions (httk.core.FracVector property) (httk.core.SurdVector property) (httk.core.vectors.FracVector property) (httk.core.vectors.fracvector.FracVector property) (httk.core.vectors.SurdVector property) (httk.core.vectors.surdvector.SurdVector property) (httk.core.vectors.vector_api.VectorAPI property) (httk.core.vectors.vector_native_backend.VectorNativeBackend property) (httk.core.vectors.vector_numpy_backend.VectorNumpyBackend property) (httk.core.vectors.VectorAPI property) (httk.core.vectors.VectorNativeBackend property) Fractions (in module httk.core.vectors.vector_api) fractions_exact (httk.core.SurdVector property) (httk.core.vectors.SurdVector property) (httk.core.vectors.surdvector.SurdVector property) (httk.core.vectors.vector_api.VectorAPI property) (httk.core.vectors.vector_frac_view.VectorFracView property) (httk.core.vectors.vector_surd_view.VectorSurdView property) (httk.core.vectors.VectorAPI property) (httk.core.vectors.VectorFracView property) (httk.core.vectors.VectorSurdView property) FracVector (class in httk.core) (class in httk.core.vectors) (class in httk.core.vectors.fracvector) FRACVECTOR_EXACT_FORMAT (in module httk.store.backend.codecs) FracVectorBase (class in httk.core.vectors.fracvector) frame (httk.workflow.protocol.JournalFrame attribute) (httk.workflow.protocol.RecordVerification attribute) frame() (httk.atomistic.integrations.vasp.io.outcar.OutcarFile method) (httk.atomistic.integrations.vasp.io.OutcarFile method) (httk.atomistic.integrations.vasp.trajectory.VASPTrajectory method) (httk.atomistic.integrations.vasp.VASPTrajectory method) (httk.atomistic.integrations.VASPTrajectory method) (httk.atomistic.io.optimade_jsonl.TrajectoryJsonlFile method) (httk.atomistic.JsonlTrajectory method) (httk.atomistic.models.trajectory.api.TrajectoryAPI method) (httk.atomistic.models.trajectory.jsonl.JsonlTrajectory method) (httk.atomistic.models.trajectory.JsonlTrajectory method) (httk.atomistic.models.trajectory.plain.PlainTrajectory method) (httk.atomistic.models.trajectory.PlainTrajectory method) (httk.atomistic.models.trajectory.record.RecordTrajectory method) (httk.atomistic.models.trajectory.Trajectory method) (httk.atomistic.models.trajectory.trajectory.Trajectory method) (httk.atomistic.models.trajectory.TrajectoryAPI method) (httk.atomistic.models.trajectory.TrajectoryView method) (httk.atomistic.models.trajectory.view.TrajectoryView method) (httk.atomistic.PlainTrajectory method) (httk.atomistic.Trajectory method) (httk.atomistic.TrajectoryView method) (httk.atomistic.VASPTrajectory method) frames (httk.atomistic.StructurePath attribute) (httk.atomistic.symmetry.paths.StructurePath attribute) frames() (httk.atomistic.integrations.vasp.io.outcar.OutcarFile method) (httk.atomistic.integrations.vasp.io.OutcarFile method) (httk.atomistic.integrations.vasp.io.xdatcar.XdatcarFile method) (httk.atomistic.integrations.vasp.io.XdatcarFile method) (httk.atomistic.integrations.vasp.trajectory.VASPTrajectory method) (httk.atomistic.integrations.vasp.VASPTrajectory method) (httk.atomistic.integrations.VASPTrajectory method) (httk.atomistic.io.optimade_jsonl.TrajectoryJsonlFile method) (httk.atomistic.JsonlTrajectory method) (httk.atomistic.models.trajectory.api.TrajectoryAPI method) (httk.atomistic.models.trajectory.jsonl.JsonlTrajectory method) (httk.atomistic.models.trajectory.JsonlTrajectory method) (httk.atomistic.models.trajectory.plain.PlainTrajectory method) (httk.atomistic.models.trajectory.PlainTrajectory method) (httk.atomistic.models.trajectory.record.RecordTrajectory method) (httk.atomistic.models.trajectory.Trajectory method) (httk.atomistic.models.trajectory.trajectory.Trajectory method) (httk.atomistic.models.trajectory.TrajectoryAPI method) (httk.atomistic.models.trajectory.TrajectoryView method) (httk.atomistic.models.trajectory.view.TrajectoryView method) (httk.atomistic.PlainTrajectory method) (httk.atomistic.Trajectory method) (httk.atomistic.TrajectoryView method) (httk.atomistic.VASPTrajectory method) free (httk.atomistic.symmetry.wyckoff.WyckoffBranch property) (httk.atomistic.symmetry.wyckoff.WyckoffPosition property) (httk.atomistic.symmetry.WyckoffBranch property) (httk.atomistic.symmetry.WyckoffPosition property) (httk.atomistic.WyckoffPosition property) free_count (httk.atomistic.models.structure.asu.WyckoffSite property) (httk.atomistic.models.structure.WyckoffSite property) (httk.atomistic.symmetry.wyckoff.WyckoffPosition property) (httk.atomistic.symmetry.WyckoffPosition property) (httk.atomistic.WyckoffPosition property) (httk.atomistic.WyckoffSite property) free_energy (httk.atomistic.integrations.vasp.io.outcar.FinalEnergies attribute) (httk.atomistic.integrations.vasp.io.outcar.OutcarFrame attribute) (httk.atomistic.integrations.vasp.io.OutcarFrame attribute) free_parameters (httk.atomistic.storage.records.WyckoffSiteRecord attribute) (httk.atomistic.storage.WyckoffSiteRecord attribute) free_params (httk.atomistic.models.structure.asu.WyckoffSite attribute) (httk.atomistic.models.structure.WyckoffSite attribute) (httk.atomistic.WyckoffSite attribute) freeze_json() (in module httk.serve) (in module httk.serve.dsp.models) (in module httk.serve.jsondata) frexp() (in module httk.core.vectors.vectormath) from_bytes() (httk.workflow.protocol.JobDefinition class method) from_compositions() (httk.analyse.matsci.phase_diagrams.PhaseDiagram class method) (httk.analyse.matsci.PhaseDiagram class method) from_cos() (httk.core.vectors.fracvector.FracVectorBase class method) from_exp() (httk.core.vectors.fracvector.FracVectorBase class method) from_fraction (httk.core.vectors.leaf_codecs.LeafCodec attribute) (httk.core.vectors.LeafCodec attribute) from_hall_entry() (httk.atomistic.SettingTransform class method) (httk.atomistic.Spacegroup class method) (httk.atomistic.symmetry.setting_transform.SettingTransform class method) (httk.atomistic.symmetry.SettingTransform class method) (httk.atomistic.symmetry.Spacegroup class method) (httk.atomistic.symmetry.spacegroup.Spacegroup class method) from_hm_entry() (httk.atomistic.Spacegroup class method) (httk.atomistic.symmetry.Spacegroup class method) (httk.atomistic.symmetry.spacegroup.Spacegroup class method) from_mapping() (httk.workflow.ChildResult class method) (httk.workflow.collecting.JobRecord class method) (httk.workflow.JobRecord class method) (httk.workflow.protocol.AttemptContext class method) (httk.workflow.protocol.JobDefinition class method) (httk.workflow.protocol.RetentionPolicy class method) (httk.workflow.protocol.RetryPolicy class method) (httk.workflow.protocol.StateFrame class method) (httk.workflow.protocol.WorkspacePolicy class method) (httk.workflow.runtime.AttemptContext class method) (httk.workflow.sdk.ChildResult class method) (httk.workflow.supervision.CheckerSpec class method) from_obj() (httk.core.Calculation class method) (httk.core.data_records.DataRecord class method) (httk.core.DataRecord class method) (httk.core.Dataset class method) (httk.core.DatasetDistribution class method) (httk.core.DatasetRecord class method) (httk.core.datasets.Dataset class method) (httk.core.datasets.DatasetDistribution class method) (httk.core.datasets.DatasetRecord class method) (httk.core.entry_types.Calculation class method) (httk.core.entry_types.File class method) (httk.core.entry_types.Reference class method) (httk.core.File class method) (httk.core.ProductLink class method) (httk.core.provenance.ProductLink class method) (httk.core.provenance.Run class method) (httk.core.provenance.RunEdge class method) (httk.core.Reference class method) (httk.core.Run class method) (httk.core.RunEdge class method) (httk.core.Service class method) (httk.core.ServiceRecord class method) (httk.core.services.Service class method) (httk.core.services.ServiceRecord class method) (httk.serve.dsp.config.DspDatasetPublication class method) (httk.serve.dsp.config.DspPublicationRecord class method) (httk.serve.dsp.DspDatasetPublication class method) (httk.serve.dsp.DspPublicationRecord class method) from_object() (httk.atomistic.models.species.Species class method) (httk.atomistic.models.species.species.Species class method) (httk.atomistic.Species class method) from_optimade() (httk.core.EntryTypeDefinition class method) (httk.core.property_definitions.EntryTypeDefinition class method) (httk.core.property_definitions.PropertyDefinition class method) (httk.core.PropertyDefinition class method) from_package() (httk.serve.http.openapi.contract.OpenAPIContract class method) (httk.serve.http.openapi.OpenAPIContract class method) from_path() (httk.workflow.protocol.JobDefinition class method) (httk.workflow.protocol.Marker class method) from_radicand_map() (httk.core.SurdVector class method) (httk.core.vectors.SurdVector class method) (httk.core.vectors.surdvector.SurdVector class method) from_record() (httk.atomistic.AffineOperation class method) (httk.atomistic.symmetry.affine_operation.AffineOperation class method) (httk.atomistic.symmetry.AffineOperation class method) (httk.atomistic.symmetry.wyckoff.WyckoffPosition class method) (httk.atomistic.symmetry.WyckoffPosition class method) (httk.atomistic.WyckoffPosition class method) from_response() (httk.core.optimade.OptimadeDocument class method) (httk.core.optimade.resources.OptimadeDocument class method) from_result() (httk.serve.web.providers.TablePage class method) (httk.serve.web.TablePage class method) from_rows() (httk.serve.web.providers.TablePage class method) (httk.serve.web.TablePage class method) from_schemas() (httk.store.backend.sql.graph.LogicalEdgeGraph class method) from_setting() (httk.atomistic.Spacegroup class method) (httk.atomistic.symmetry.Spacegroup class method) (httk.atomistic.symmetry.spacegroup.Spacegroup class method) from_simple() (httk.core.property_definitions.PropertyDefinition class method) (httk.core.PropertyDefinition class method) from_sin() (httk.core.vectors.fracvector.FracVectorBase class method) from_srcdir() (httk.serve.web.model.config.SiteConfig class method) (httk.serve.web.model.SiteConfig class method) from_store() (httk.store.backend.sql.graph.LogicalEdgeGraph class method) from_structures() (httk.analyse.matsci.phase_diagrams.PhaseDiagram class method) (httk.analyse.matsci.PhaseDiagram class method) from_tuple() (httk.core.vectors.fracvector.FracVectorBase class method) from_value() (httk.core.data_records.DataRecord class method) (httk.core.DataRecord class method) (httk.serve.web.providers.TableColumn class method) (httk.serve.web.TableColumn class method) FrozenJson (in module httk.core.optimade.resources) FrozenJsonValue (in module httk.serve) (in module httk.serve.dsp.models) (in module httk.serve.jsondata) fsck() (httk.store.backend.mongo.store.MongoStore method) (httk.store.backend.sql.store.SqlStore method) FsckCollectionSummary (class in httk.store.backend.mongo.fsck) FsckLease (class in httk.store.backend.mongo.leases) FsckSummary (class in httk.store.backend.mongo.fsck) (class in httk.store.backend.sql.fsck) FsckTableSummary (class in httk.store.backend.sql.fsck) fsum() (in module httk.core.vectors.vectormath) fulltype_of() (in module httk.serve.optimade.schema.served) function_handler (httk.serve.web.engine.site_engine.SiteEngine attribute) (httk.serve.web.engine.SiteEngine attribute) function_widget() (in module httk.serve.web.widgets) (in module httk.serve.web.widgets.core) FunctionInjectionError, [1] functions (httk.workflow.languages.pwd.PwdDocument property) functions_dir (httk.serve.web.functions.python_module.PythonFunctionHandler attribute) (httk.serve.web.functions.PythonFunctionHandler attribute) (httk.serve.web.model.config.SiteConfig property) (httk.serve.web.model.SiteConfig property) functions_subdir (httk.serve.web.model.config.SiteConfig attribute) (httk.serve.web.model.SiteConfig attribute) FunctionWidget (class in httk.serve.web.widgets) (class in httk.serve.web.widgets.core) fundamental_domain_structure_properties() (in module httk.atomistic.storage.stored_properties) FundamentalDomainStructure (class in httk.atomistic) (class in httk.atomistic.models.structure) (class in httk.atomistic.models.structure.asu) FundamentalDomainStructureRecord (class in httk.atomistic) (class in httk.atomistic.storage) (class in httk.atomistic.storage.records) FundamentalDomainTemplate (class in httk.atomistic) (class in httk.atomistic.models.structuretype) (class in httk.atomistic.models.structuretype.fundamental) FundamentalDomainTemplateRecord (class in httk.atomistic) (class in httk.atomistic.storage) (class in httk.atomistic.storage.records) FundamentalDomainTemplateView (class in httk.atomistic) (class in httk.atomistic.models.structuretype.fundamental_view) FUTURE_TIMESTAMP_SLACK_NS (in module httk.store.store_timestamp)

G

gamma (httk.atomistic.CellParamsView property) (httk.atomistic.models.cell.CellParamsView property) (httk.atomistic.models.cell.params_view.CellParamsView property) gamma() (in module httk.core.vectors.vectormath) gamma_half (httk.atomistic.PlaneWaveFunctions property) (httk.atomistic.wavefunction.PlaneWaveFunctions property) gaps (httk.workflow.collecting.JobRecord property) (httk.workflow.JobRecord property) gather() (httk.workflow.Attempt method) (httk.workflow.sdk.Attempt method) gc_interval (httk.workflow.TaskManager attribute) generate_base_endpoint_reply() (in module httk.serve.optimade.endpoints) (in module httk.serve.optimade.endpoints.info) generate_entry_endpoint_reply() (in module httk.serve.optimade.endpoints) (in module httk.serve.optimade.endpoints.entries) generate_entry_info_endpoint_reply() (in module httk.serve.optimade.endpoints) (in module httk.serve.optimade.endpoints.info) generate_info_endpoint_reply() (in module httk.serve.optimade.endpoints) (in module httk.serve.optimade.endpoints.info) generate_links_endpoint_reply() (in module httk.serve.optimade.endpoints) (in module httk.serve.optimade.endpoints.info) generate_lock() (in module httk.core.docs) (in module httk.core.docs.lockfile) generate_meta() (in module httk.serve.optimade.endpoints) (in module httk.serve.optimade.endpoints.meta) generate_partial_data_reply() (in module httk.serve.optimade.endpoints.partial_data) generate_single_entry_endpoint_reply() (in module httk.serve.optimade.endpoints) (in module httk.serve.optimade.endpoints.entries) generate_versions_endpoint_reply() (in module httk.serve.optimade.endpoints) (in module httk.serve.optimade.endpoints.info) generation (httk.store.backend.mongo.fsck.FsckSummary attribute) (httk.store.backend.mongo.leases.WriterLease attribute) (httk.workflow.protocol.Marker attribute) get() (httk.core.register.PluginRegistry method) (httk.serve.web.widgets.assets.WidgetAssetRegistry method) (httk.workflow.ChildrenView method) (httk.workflow.sdk.ChildrenView method) get_append() (httk.core.vectors.fracvector.FracVectorBase method) get_atomic_numbers() (httk.atomistic.ASEAtomsProtocol method) (httk.atomistic.integrations.ase.ASEAtomsProtocol method) (httk.atomistic.integrations.ase.models.ASEAtomsProtocol method) (httk.atomistic.integrations.ASEAtomsProtocol method) get_cell() (httk.atomistic.ASEAtomsProtocol method) (httk.atomistic.integrations.ase.ASEAtomsProtocol method) (httk.atomistic.integrations.ase.models.ASEAtomsProtocol method) (httk.atomistic.integrations.ASEAtomsProtocol method)

get_continued_fraction() (in module httk.core.exactmath) get_extend() (httk.core.vectors.fracvector.FracVectorBase method) get_insert() (httk.core.vectors.fracvector.FracVectorBase method) get_negotiation() (httk.serve.dsp.DspProvider method) (httk.serve.dsp.provider.DspProvider method) get_or_create_transfer_for_consumer() (httk.serve.dsp.state.DspState method) get_pbc() (httk.atomistic.ASEAtomsProtocol method) (httk.atomistic.integrations.ase.ASEAtomsProtocol method) (httk.atomistic.integrations.ase.models.ASEAtomsProtocol method) (httk.atomistic.integrations.ASEAtomsProtocol method) get_prepend() (httk.core.vectors.fracvector.FracVectorBase method) get_prestacked() (httk.core.vectors.fracvector.FracVectorBase method) get_prextend() (httk.core.vectors.fracvector.FracVectorBase method) get_scaled_positions() (httk.atomistic.ASEAtomsProtocol method) (httk.atomistic.integrations.ase.ASEAtomsProtocol method) (httk.atomistic.integrations.ase.models.ASEAtomsProtocol method) (httk.atomistic.integrations.ASEAtomsProtocol method) get_stacked() (httk.core.vectors.fracvector.FracVectorBase method) get_stackedinsert() (httk.core.vectors.fracvector.FracVectorBase method) get_transfer() (httk.serve.dsp.DspProvider method) (httk.serve.dsp.provider.DspProvider method) GitSiteError, [1] GitUnavailableError, [1] give_up (httk.workflow.vasp.VaspRemedyDecision attribute) global_data (httk.serve.web.engine.site_engine.SiteEngine attribute) (httk.serve.web.engine.SiteEngine attribute) (httk.serve.web.ProviderContext attribute) (httk.serve.web.providers.ProviderContext attribute) graph (httk.store.backend.sql.bulk_deferred.DeferredFinalizer attribute) group_columns (httk.store.backend.sql.searcher.SqlExpression attribute) group_probabilities (httk.atomistic.Assembly attribute) (httk.atomistic.composition.Assembly attribute) (httk.atomistic.storage.AssemblyRecord attribute) (httk.atomistic.storage.records.AssemblyRecord attribute) group_probabilities_precision (httk.atomistic.Assembly attribute) (httk.atomistic.composition.Assembly attribute) (httk.atomistic.storage.AssemblyRecord attribute) (httk.atomistic.storage.records.AssemblyRecord attribute) groups (httk.atomistic.storage.AssemblyRecord attribute) (httk.atomistic.storage.records.AssemblyRecord attribute) guard() (httk.core.project.members.ProjectMemberHandler method) (httk.core.project.ProjectMemberHandler method) gvectors() (httk.atomistic.PlaneWaveFunctions method) (httk.atomistic.wavefunction.PlaneWaveFunctions method)

H

hall_entry (httk.atomistic.SettingTransform property) (httk.atomistic.Spacegroup property) (httk.atomistic.storage.records.SettingTransformRecord attribute) (httk.atomistic.storage.SettingTransformRecord attribute) (httk.atomistic.symmetry.setting_transform.SettingTransform property) (httk.atomistic.symmetry.SettingTransform property) (httk.atomistic.symmetry.Spacegroup property) (httk.atomistic.symmetry.spacegroup.Spacegroup property) hall_symbol (httk.atomistic.Spacegroup property) (httk.atomistic.symmetry.Spacegroup property) (httk.atomistic.symmetry.spacegroup.Spacegroup property) handler (httk.core.register.cli.CLICommand attribute) (httk.core.register.CLICommand attribute) Handler (in module httk.atomistic.cli) (in module httk.core.plugins.cli) (in module httk.core.project.cli) HandlerTable (in module httk.serve.optimade.backend.handlers) (in module httk.store.query.optimade_filters) has() (httk.serve.optimade.backend.memory_store.MemoryField method) (httk.serve.optimade.backend.protocols.SearchField method) (httk.serve.optimade.backend.SearchField method) (httk.store.backend.mongo.searcher.MongoField method) (httk.store.backend.mongo.searcher.MongoLinkSet method) (httk.store.backend.sql.searcher.SqlColumn method) (httk.store.backend.sql.searcher.SqlLinkSet method) (httk.store.backend.sql.searcher.SqlReference method) (httk.store.federated_store.FederatedField method) (httk.store.query.protocols.SearchField method) (httk.store.query.SearchField method) (httk.store.SearchField method) (httk.workflow.protocol.StateFrame method) has_any() (httk.serve.optimade.backend.memory_store.MemoryField method) (httk.serve.optimade.backend.protocols.SearchField method) (httk.serve.optimade.backend.SearchField method) (httk.store.backend.mongo.searcher.MongoField method) (httk.store.backend.mongo.searcher.MongoLinkSet method) (httk.store.backend.sql.searcher.SqlColumn method) (httk.store.backend.sql.searcher.SqlLinkSet method) (httk.store.backend.sql.searcher.SqlReference method) (httk.store.federated_store.FederatedField method) (httk.store.query.protocols.SearchField method) (httk.store.query.SearchField method) (httk.store.SearchField method) has_automatic_actions() (httk.serve.dsp.DspProvider method) (httk.serve.dsp.provider.DspProvider method) has_default (httk.core.project.templates.TemplateParameter attribute) has_default_collector (httk.workflow.languages.cwl.WorkflowLanguage attribute) (httk.workflow.languages.httk_v1.WorkflowLanguage attribute) (httk.workflow.languages.jobflow.WorkflowLanguage attribute) (httk.workflow.languages.pwd.WorkflowLanguage attribute) (httk.workflow.languages.WorkflowLanguage attribute) has_instantiate (httk.workflow.Runner property) (httk.workflow.sdk.Runner property) has_only() (httk.serve.optimade.backend.memory_store.MemoryField method) (httk.serve.optimade.backend.protocols.SearchField method) (httk.serve.optimade.backend.SearchField method) (httk.store.backend.mongo.searcher.MongoField method) (httk.store.backend.mongo.searcher.MongoLinkSet method) (httk.store.backend.sql.searcher.SqlColumn method) (httk.store.backend.sql.searcher.SqlLinkSet method) (httk.store.backend.sql.searcher.SqlReference method) (httk.store.federated_store.FederatedField method) (httk.store.query.protocols.SearchField method) (httk.store.query.SearchField method) (httk.store.SearchField method) has_reader_for() (in module httk.core) (in module httk.core.register) (in module httk.core.register.io) has_valid_percent_escapes() (in module httk.core.validation) (in module httk.core.validation.iris) has_writer_for() (in module httk.core) (in module httk.core.saving) having_clause (httk.store.backend.sql.searcher.SqlExpression attribute) header (httk.atomistic.io.optimade_jsonl.TrajectoryJsonlFile property) (httk.atomistic.JsonlTrajectory property) (httk.atomistic.models.trajectory.jsonl.JsonlTrajectory property) (httk.atomistic.models.trajectory.JsonlTrajectory property) (httk.core.dataset_loader.DatasetMeta attribute) (httk.core.DatasetMeta attribute) header() (httk.serve.http.openapi.app.OpenAPIRequest method) (httk.serve.http.openapi.OpenAPIRequest method) headers (httk.serve.dsp.catalogue.DspCatalogueRepresentation attribute) (httk.serve.dsp.DspCatalogueRepresentation attribute) (httk.serve.http.openapi.app.OpenAPIRequest attribute) (httk.serve.http.openapi.app.OpenAPIResponse attribute) (httk.serve.http.openapi.binding.OperationContext attribute) (httk.serve.http.openapi.OpenAPIRequest attribute) (httk.serve.http.openapi.OpenAPIResponse attribute) (httk.serve.http.openapi.OperationContext attribute) (httk.serve.web.model.HttpRequestContext attribute) (httk.serve.web.model.request.HttpRequestContext attribute) heading (httk.atomistic.integrations.vasp.io.ElasticModuliBlock attribute) (httk.atomistic.integrations.vasp.io.outcar.ElasticModuliBlock attribute) heartbeat() (httk.workflow.TaskManager method) heartbeat_interval (httk.workflow.TaskManager attribute) heartbeat_period (httk.workflow.TaskManager property) hermann_mauguin (httk.atomistic.Spacegroup property) (httk.atomistic.symmetry.Spacegroup property) (httk.atomistic.symmetry.spacegroup.Spacegroup property) hermann_mauguin_full (httk.atomistic.Spacegroup property) (httk.atomistic.symmetry.Spacegroup property) (httk.atomistic.symmetry.spacegroup.Spacegroup property) highest_symmetry() (in module httk.atomistic) (in module httk.atomistic.symmetry.lift) highest_version() (in module httk.core.docs) (in module httk.core.docs.semver) hint (httk.store.backend.sql.layout.StorageLayoutUpgradeRequiredError attribute) (httk.store.storage_layout.StorageLayoutUpgradeRequiredError attribute) history() (httk.store.backend.mongo.store.MongoStore method) (httk.store.backend.sql.store.SqlStore method) host_static (httk.serve.web.model.config.SiteConfig attribute) (httk.serve.web.model.SiteConfig attribute) hostname (httk.workflow.manifests.MaintenanceLock attribute) (httk.workflow.TaskManager attribute) howpublished (httk.core.entry_types.Reference attribute) (httk.core.Reference attribute) html (httk.serve.web.renderers.base.RenderResult attribute) (httk.serve.web.renderers.RenderResult attribute) (httk.serve.web.widgets.core.WidgetRenderResult attribute) (httk.serve.web.widgets.WidgetRenderResult attribute) html_source() (in module httk.serve.web.widgets.extraction) HtmlRenderer (class in httk.serve.web.renderers) (class in httk.serve.web.renderers.html) httk.analyse module httk.analyse.crysviz module httk.analyse.generic module httk.analyse.generic.lower_hull module httk.analyse.matsci module httk.analyse.matsci.phase_diagrams module httk.atomistic module httk.atomistic.cif_structures module httk.atomistic.cli module httk.atomistic.composition module httk.atomistic.data module httk.atomistic.elements module httk.atomistic.entries module httk.atomistic.entries.charge module httk.atomistic.entries.definitions module httk.atomistic.entries.moments module httk.atomistic.entries.precision module httk.atomistic.entries.prototypes module httk.atomistic.entries.structures module httk.atomistic.entries.symmetry module httk.atomistic.entries.trajectories module httk.atomistic.integrations module httk.atomistic.integrations.ase module httk.atomistic.integrations.ase.models module httk.atomistic.integrations.ase.view module httk.atomistic.integrations.pymatgen module httk.atomistic.integrations.pymatgen.models module httk.atomistic.integrations.pymatgen.view module httk.atomistic.integrations.vasp module httk.atomistic.integrations.vasp.io module httk.atomistic.integrations.vasp.io.oszicar module httk.atomistic.integrations.vasp.io.outcar module httk.atomistic.integrations.vasp.io.outputs module httk.atomistic.integrations.vasp.io.poscar_reader module httk.atomistic.integrations.vasp.io.poscar_writer module httk.atomistic.integrations.vasp.io.potcar module httk.atomistic.integrations.vasp.io.volumetric module httk.atomistic.integrations.vasp.io.wavecar module httk.atomistic.integrations.vasp.io.xdatcar module httk.atomistic.integrations.vasp.structure module httk.atomistic.integrations.vasp.trajectory module httk.atomistic.io module httk.atomistic.io.cif module httk.atomistic.io.cif.cif_parser module httk.atomistic.io.cif.cif_reader module httk.atomistic.io.cif.cif_tags module httk.atomistic.io.cif.cif_writer module httk.atomistic.io.cif.mcif_parser module httk.atomistic.io.cif.mcif_writer module httk.atomistic.io.optimade_jsonl module httk.atomistic.mcif_structures module httk.atomistic.models module httk.atomistic.models.cell module httk.atomistic.models.cell.api module httk.atomistic.models.cell.backend module httk.atomistic.models.cell.cell module httk.atomistic.models.cell.like module httk.atomistic.models.cell.numeric module httk.atomistic.models.cell.numeric_view module httk.atomistic.models.cell.params module httk.atomistic.models.cell.params_view module httk.atomistic.models.cell.plain module httk.atomistic.models.cell.plain_view module httk.atomistic.models.cell.record module httk.atomistic.models.cell.view module httk.atomistic.models.cell.view_base module httk.atomistic.models.formula module httk.atomistic.models.formula.api module httk.atomistic.models.formula.backend module httk.atomistic.models.formula.composition module httk.atomistic.models.formula.composition_view module httk.atomistic.models.formula.diagnostics module httk.atomistic.models.formula.formula module httk.atomistic.models.formula.formula_string module httk.atomistic.models.formula.formula_view module httk.atomistic.models.formula.formulatype module httk.atomistic.models.formula.formulatype_string module httk.atomistic.models.formula.formulatype_view module httk.atomistic.models.formula.like module httk.atomistic.models.formula.notation module httk.atomistic.models.formula.plain module httk.atomistic.models.formula.record module httk.atomistic.models.formula.structure module httk.atomistic.models.formula.view_base module httk.atomistic.models.formula.wyckoff module httk.atomistic.models.moments module httk.atomistic.models.moments.api module httk.atomistic.models.moments.backend module httk.atomistic.models.moments.cartesian module httk.atomistic.models.moments.cartesian_view module httk.atomistic.models.moments.collinear module httk.atomistic.models.moments.crystalaxis module httk.atomistic.models.moments.crystalaxis_view module httk.atomistic.models.moments.like module httk.atomistic.models.moments.view_base module httk.atomistic.models.protostructure module httk.atomistic.models.protostructure.api module httk.atomistic.models.protostructure.backend module httk.atomistic.models.protostructure.label module httk.atomistic.models.protostructure.label_string module httk.atomistic.models.protostructure.like module httk.atomistic.models.protostructure.occupation module httk.atomistic.models.protostructure.protostructure module httk.atomistic.models.protostructure.recognized module httk.atomistic.models.protostructure.view module httk.atomistic.models.protostructure.view_base module httk.atomistic.models.prototype module httk.atomistic.models.prototype.api module httk.atomistic.models.prototype.backend module httk.atomistic.models.prototype.derived module httk.atomistic.models.prototype.label module httk.atomistic.models.prototype.label_string module httk.atomistic.models.prototype.like module httk.atomistic.models.prototype.notation module httk.atomistic.models.prototype.occupation module httk.atomistic.models.prototype.prototype module httk.atomistic.models.prototype.recognized module httk.atomistic.models.prototype.view module httk.atomistic.models.prototype.view_base module httk.atomistic.models.sites module httk.atomistic.models.sites.api module httk.atomistic.models.sites.backend module httk.atomistic.models.sites.like module httk.atomistic.models.sites.numeric module httk.atomistic.models.sites.numeric_view module httk.atomistic.models.sites.plain module httk.atomistic.models.sites.plain_view module httk.atomistic.models.sites.record module httk.atomistic.models.sites.sites module httk.atomistic.models.sites.view module httk.atomistic.models.sites.view_base module httk.atomistic.models.species module httk.atomistic.models.species.api module httk.atomistic.models.species.backend module httk.atomistic.models.species.like module httk.atomistic.models.species.plain module httk.atomistic.models.species.plain_view module httk.atomistic.models.species.record module httk.atomistic.models.species.species module httk.atomistic.models.species.view module httk.atomistic.models.species.view_base module httk.atomistic.models.structure module httk.atomistic.models.structure.api module httk.atomistic.models.structure.asu module httk.atomistic.models.structure.asu_view module httk.atomistic.models.structure.backend module httk.atomistic.models.structure.comparison module httk.atomistic.models.structure.datastream module httk.atomistic.models.structure.like module httk.atomistic.models.structure.modulated module httk.atomistic.models.structure.numeric module httk.atomistic.models.structure.numeric_view module httk.atomistic.models.structure.optimade module httk.atomistic.models.structure.plain module httk.atomistic.models.structure.plain_view module httk.atomistic.models.structure.record module httk.atomistic.models.structure.semantics module httk.atomistic.models.structure.symops module httk.atomistic.models.structure.unitcell module httk.atomistic.models.structure.unitcell_view module httk.atomistic.models.structure.view module httk.atomistic.models.structuretype module httk.atomistic.models.structuretype.anonymize module httk.atomistic.models.structuretype.anonymized module httk.atomistic.models.structuretype.api module httk.atomistic.models.structuretype.backend module httk.atomistic.models.structuretype.fundamental module httk.atomistic.models.structuretype.fundamental_view module httk.atomistic.models.structuretype.like module httk.atomistic.models.structuretype.structuretype module httk.atomistic.models.structuretype.view module httk.atomistic.models.structuretype.view_base module httk.atomistic.models.trajectory module httk.atomistic.models.trajectory.api module httk.atomistic.models.trajectory.backend module httk.atomistic.models.trajectory.jsonl module httk.atomistic.models.trajectory.like module httk.atomistic.models.trajectory.plain module httk.atomistic.models.trajectory.record module httk.atomistic.models.trajectory.trajectory module httk.atomistic.models.trajectory.view module httk.atomistic.reduction module httk.atomistic.storage module httk.atomistic.storage.records module httk.atomistic.storage.stored_properties module httk.atomistic.supercell module httk.atomistic.symmetry module httk.atomistic.symmetry.affine_operation module httk.atomistic.symmetry.canonical module httk.atomistic.symmetry.lift module httk.atomistic.symmetry.magnetic module httk.atomistic.symmetry.paths module httk.atomistic.symmetry.primitive module httk.atomistic.symmetry.recognition module httk.atomistic.symmetry.setting_transform module httk.atomistic.symmetry.spacegroup module httk.atomistic.symmetry.standardization module httk.atomistic.symmetry.subgroups module httk.atomistic.symmetry.symop_key module httk.atomistic.symmetry.wyckoff module httk.atomistic.symmetry.xyz module httk.atomistic.wavefunction module httk.core module httk.core.building module httk.core.citations module httk.core.cli module httk.core.converting module httk.core.crypto module httk.core.data_records module httk.core.dataset_loader module httk.core.datasets module httk.core.datastream module httk.core.datastream.bytestream_api module httk.core.datastream.bytestream_backend module httk.core.datastream.bytestream_bytes module httk.core.datastream.bytestream_bytes_view module httk.core.datastream.bytestream_common module httk.core.datastream.bytestream_file module httk.core.datastream.bytestream_file_view module httk.core.datastream.bytestream_filename module httk.core.datastream.bytestream_filename_view module httk.core.datastream.bytestream_like module httk.core.datastream.bytestream_request module httk.core.datastream.bytestream_request_view module httk.core.datastream.bytestream_url module httk.core.datastream.bytestream_url_view module httk.core.datastream.bytestream_view module httk.core.datastream.compression module httk.core.datastream.datastream_url module httk.core.datastream.network_policy module httk.core.datastream.textstream_api module httk.core.datastream.textstream_backend module httk.core.datastream.textstream_common module httk.core.datastream.textstream_file module httk.core.datastream.textstream_file_view module httk.core.datastream.textstream_filename module httk.core.datastream.textstream_filename_view module httk.core.datastream.textstream_like module httk.core.datastream.textstream_request module httk.core.datastream.textstream_request_view module httk.core.datastream.textstream_string module httk.core.datastream.textstream_string_view module httk.core.datastream.textstream_url module httk.core.datastream.textstream_url_view module

httk.core.datastream.textstream_view module httk.core.digests module httk.core.docs module httk.core.docs.cli module httk.core.docs.config module httk.core.docs.ecosystem module httk.core.docs.gitsite module httk.core.docs.inventories module httk.core.docs.lockfile module httk.core.docs.manifests module httk.core.docs.redirect module httk.core.docs.release module httk.core.docs.semver module httk.core.docs.sitetree module httk.core.docs.sphinx_ext module httk.core.entry_ids module httk.core.entry_provider module httk.core.entry_types module httk.core.exactmath module httk.core.fetching module httk.core.files module httk.core.identity module httk.core.identity_cli module httk.core.loading module httk.core.memguard module httk.core.optimade module httk.core.optimade.entries module httk.core.optimade.filter module httk.core.optimade.filter.parser module httk.core.optimade.resources module httk.core.plugins module httk.core.plugins.cli module httk.core.plugins.install module httk.core.plugins.installed module httk.core.plugins.manifest module httk.core.precision module httk.core.project module httk.core.project.anchor module httk.core.project.cli module httk.core.project.export module httk.core.project.manifests module httk.core.project.members module httk.core.project.sealing module httk.core.project.templates module httk.core.property_definitions module httk.core.provenance module httk.core.records module httk.core.register module httk.core.register.cli module httk.core.register.entries module httk.core.register.io module httk.core.register.members module httk.core.register.schemas module httk.core.report module httk.core.saving module httk.core.schema_check module httk.core.services module httk.core.storage module httk.core.storage.identity module httk.core.storage.markers module httk.core.storage.rational_text module httk.core.storage.stored_properties module httk.core.system module httk.core.userdirs module httk.core.validation module httk.core.validation.iris module httk.core.vectors module httk.core.vectors.fracvector module httk.core.vectors.leaf_codecs module httk.core.vectors.mutablefracvector module httk.core.vectors.numeric module httk.core.vectors.scalar_like module httk.core.vectors.surdvector module httk.core.vectors.vector_api module httk.core.vectors.vector_backend module httk.core.vectors.vector_frac_view module httk.core.vectors.vector_like module httk.core.vectors.vector_native_backend module httk.core.vectors.vector_native_view module httk.core.vectors.vector_numpy_backend module httk.core.vectors.vector_numpy_view module httk.core.vectors.vector_surd_view module httk.core.vectors.vector_view module httk.core.vectors.vectormath module httk.core.views module httk.core.views.backend module httk.core.views.coercion module httk.core.views.unviewing module httk.core.views.unwrapping module httk.core.views.view module httk.registry.cli.atomistic module httk.registry.cli.core module httk.registry.cli.job module httk.registry.cli.project module httk.registry.cli.serve module httk.registry.cli.workflow module httk.registry.cli.workspace module httk.registry.entries.atomistic module httk.registry.entries.core module httk.registry.entries.store module httk.registry.io.atomistic module httk.registry.schemas.atomistic module httk.registry.schemas.core module httk.serve module httk.serve.composition module httk.serve.dsp module httk.serve.dsp.api module httk.serve.dsp.callbacks module httk.serve.dsp.catalogue module httk.serve.dsp.config module httk.serve.dsp.models module httk.serve.dsp.provider module httk.serve.dsp.serializers module httk.serve.dsp.state module httk.serve.dsp.validation module httk.serve.http module httk.serve.http.accept module httk.serve.http.api module httk.serve.http.apptypes module httk.serve.http.fields module httk.serve.http.identifiers module httk.serve.http.openapi module httk.serve.http.openapi.app module httk.serve.http.openapi.binding module httk.serve.http.openapi.contract module httk.serve.http.openapi.resources module httk.serve.http.openapi.schemas module httk.serve.http.webhook module httk.serve.jsondata module httk.serve.optimade module httk.serve.optimade.api module httk.serve.optimade.backend module httk.serve.optimade.backend.adapter module httk.serve.optimade.backend.execution module httk.serve.optimade.backend.handlers module httk.serve.optimade.backend.memory_store module httk.serve.optimade.backend.partial module httk.serve.optimade.backend.protocols module httk.serve.optimade.backend.providers module httk.serve.optimade.backend.stores module httk.serve.optimade.backend.translation module httk.serve.optimade.client module httk.serve.optimade.endpoints module httk.serve.optimade.endpoints.entries module httk.serve.optimade.endpoints.error module httk.serve.optimade.endpoints.info module httk.serve.optimade.endpoints.meta module httk.serve.optimade.endpoints.partial_data module httk.serve.optimade.engine module httk.serve.optimade.engine.processing module httk.serve.optimade.engine.validate module httk.serve.optimade.filter module httk.serve.optimade.model module httk.serve.optimade.model.config module httk.serve.optimade.model.errors module httk.serve.optimade.model.request module httk.serve.optimade.model.results module httk.serve.optimade.model.versions module httk.serve.optimade.remote_query module httk.serve.optimade.runtime module httk.serve.optimade.runtime.asgi module httk.serve.optimade.runtime.devserver module httk.serve.optimade.schema module httk.serve.optimade.schema.served module httk.serve.optimade.schema.trajectories module httk.serve.web module httk.serve.web.api module httk.serve.web.cli module httk.serve.web.compat module httk.serve.web.engine module httk.serve.web.engine.discovery module httk.serve.web.engine.site_engine module httk.serve.web.functions module httk.serve.web.functions.python_module module httk.serve.web.model module httk.serve.web.model.config module httk.serve.web.model.errors module httk.serve.web.model.page module httk.serve.web.model.request module httk.serve.web.providers module httk.serve.web.publishing module httk.serve.web.publishing.static module httk.serve.web.renderers module httk.serve.web.renderers.base module httk.serve.web.renderers.html module httk.serve.web.renderers.httkweb_compat module httk.serve.web.renderers.markdown module httk.serve.web.renderers.rst module httk.serve.web.resources module httk.serve.web.runtime module httk.serve.web.runtime.asgi module httk.serve.web.runtime.devserver module httk.serve.web.templating module httk.serve.web.templating.base module httk.serve.web.templating.httk_compat module httk.serve.web.templating.jinja2_engine module httk.serve.web.widgets module httk.serve.web.widgets.assets module httk.serve.web.widgets.core module httk.serve.web.widgets.extraction module httk.serve.web.widgets.loader module httk.serve.web.widgets.optimade_assets module httk.serve.web.widgets.optimade_fields module httk.serve.web.widgets.optimade_table module httk.serve.web.widgets.table module httk.store module httk.store.backend module httk.store.backend.clickhouse module httk.store.backend.clickhouse.engine module httk.store.backend.clickhouse.support module httk.store.backend.codecs module httk.store.backend.duckdb module httk.store.backend.duckdb.engine module httk.store.backend.duckdb.hooks module httk.store.backend.mongo module httk.store.backend.mongo.database module httk.store.backend.mongo.documents module httk.store.backend.mongo.entry_provider module httk.store.backend.mongo.evaluator module httk.store.backend.mongo.fsck module httk.store.backend.mongo.leases module httk.store.backend.mongo.mapping module httk.store.backend.mongo.optimade module httk.store.backend.mongo.results module httk.store.backend.mongo.searcher module httk.store.backend.mongo.store module httk.store.backend.mongo.stored_properties module httk.store.backend.postgresql module httk.store.backend.postgresql.compiler module httk.store.backend.postgresql.engine module httk.store.backend.postgresql.hooks module httk.store.backend.schema module httk.store.backend.sql module httk.store.backend.sql.bulk module httk.store.backend.sql.bulk_deferred module httk.store.backend.sql.bulk_parallel module httk.store.backend.sql.engine module httk.store.backend.sql.entry_provider module httk.store.backend.sql.fsck module httk.store.backend.sql.graph module httk.store.backend.sql.layout module httk.store.backend.sql.mapping module httk.store.backend.sql.optimade module httk.store.backend.sql.paging module httk.store.backend.sql.provenance_edges module httk.store.backend.sql.results module httk.store.backend.sql.rows module httk.store.backend.sql.searcher module httk.store.backend.sql.store module httk.store.backend.sql.stored_federation module httk.store.backend.sql.stored_properties module httk.store.backend.sqlite module httk.store.backend.sqlite.engine module httk.store.backend.sqlite.hooks module httk.store.entry_providers module httk.store.export module httk.store.federated_store module httk.store.id_ledger module httk.store.query module httk.store.query.optimade_filters module httk.store.query.paging_tokens module httk.store.query.portable module httk.store.query.protocols module httk.store.query.slicer module httk.store.served_specs module httk.store.storage_layout module httk.store.store_common module httk.store.store_timestamp module httk.store.validation module httk.workflow module httk.workflow.adapter_protocol module httk.workflow.adapters module httk.workflow.collecting module httk.workflow.compat module httk.workflow.compat.v1 module httk.workflow.configuration module httk.workflow.errors module httk.workflow.executors module httk.workflow.hookapi module httk.workflow.hygiene module httk.workflow.languages module httk.workflow.languages.cwl module httk.workflow.languages.httk_v1 module httk.workflow.languages.jobflow module httk.workflow.languages.pwd module httk.workflow.manifests module httk.workflow.projects module httk.workflow.protocol module httk.workflow.provenance module httk.workflow.runtime module httk.workflow.runtime_utils module httk.workflow.scaffold module httk.workflow.sdk module httk.workflow.shell_bridge module httk.workflow.supervision module httk.workflow.transfers module httk.workflow.vasp module HTTK_REFERENCE (in module httk.core.citations) HttkCompatTemplateEngine (class in httk.serve.web.templating) (class in httk.serve.web.templating.httk_compat) HttkwebCompatRenderer (class in httk.serve.web.renderers) (class in httk.serve.web.renderers.httkweb_compat) HTTP_ENDPOINT_TYPE (in module httk.serve.dsp) (in module httk.serve.dsp.config) http_parameter_value() (in module httk.serve.http) (in module httk.serve.http.accept) HttpRequestContext (class in httk.serve.web.model) (class in httk.serve.web.model.request) hull_indices (httk.analyse.generic.lower_hull.LowerConvexHull property) (httk.analyse.generic.LowerConvexHull property) (httk.analyse.matsci.phase_diagrams.PhaseDiagram property) (httk.analyse.matsci.PhaseDiagram property) hypot() (in module httk.core.vectors.vectormath)

I

IANA_MEDIA_TYPE_CSV (in module httk.serve.dsp) (in module httk.serve.dsp.config) IANA_MEDIA_TYPE_JSON (in module httk.serve.dsp) (in module httk.serve.dsp.config) id (httk.atomistic.FundamentalDomainStructureRecord attribute) (httk.atomistic.FundamentalDomainTemplateRecord attribute) (httk.atomistic.models.structure.optimade.OptimadeStructure property) (httk.atomistic.models.structure.OptimadeStructure property) (httk.atomistic.models.structure.semantics.StructureSemanticsMixin property) (httk.atomistic.models.structure.StructureSemanticsMixin property) (httk.atomistic.OptimadeStructure property) (httk.atomistic.ProtostructureRecord attribute) (httk.atomistic.PrototypeRecord attribute) (httk.atomistic.storage.FundamentalDomainStructureRecord attribute) (httk.atomistic.storage.FundamentalDomainTemplateRecord attribute) (httk.atomistic.storage.ProtostructureRecord attribute) (httk.atomistic.storage.PrototypeRecord attribute) (httk.atomistic.storage.records.FundamentalDomainStructureRecord attribute) (httk.atomistic.storage.records.FundamentalDomainTemplateRecord attribute) (httk.atomistic.storage.records.ProtostructureRecord attribute) (httk.atomistic.storage.records.PrototypeRecord attribute) (httk.atomistic.storage.records.TrajectoryRecord attribute) (httk.atomistic.storage.records.UnitcellStructureRecord attribute) (httk.atomistic.storage.TrajectoryRecord attribute) (httk.atomistic.storage.UnitcellStructureRecord attribute) (httk.atomistic.TrajectoryRecord attribute) (httk.atomistic.UnitcellStructureRecord attribute) (httk.core.data_records.DataRecord attribute) (httk.core.DataRecord attribute) (httk.core.Dataset attribute) (httk.core.dataset_loader.DatasetMeta attribute) (httk.core.DatasetDistribution attribute) (httk.core.DatasetMeta attribute) (httk.core.datasets.Dataset attribute) (httk.core.datasets.DatasetDistribution attribute) (httk.core.entry_provider.RelatedEntry attribute) (httk.core.FileRecord attribute) (httk.core.files.FileRecord attribute) (httk.core.optimade.entries.OptimadeEntryBackend property) (httk.core.optimade.entries.OptimadeEntryView property) (httk.core.optimade.OptimadeEntryBackend property) (httk.core.optimade.OptimadeEntryView property) (httk.core.optimade.OptimadeResource property) (httk.core.optimade.resources.OptimadeResource property) (httk.core.project.templates.ProjectTemplate attribute) (httk.core.provenance.Run attribute) (httk.core.RelatedEntry attribute) (httk.core.Run attribute) (httk.core.Service attribute) (httk.core.services.Service attribute) (httk.serve.dsp.AgreementRecord attribute) (httk.serve.dsp.CatalogueProfile attribute) (httk.serve.dsp.DataServiceProfile attribute) (httk.serve.dsp.DcatDataServiceProfile attribute) (httk.serve.dsp.DistributionProfile attribute) (httk.serve.dsp.models.AgreementRecord attribute) (httk.serve.dsp.models.CatalogueProfile attribute) (httk.serve.dsp.models.DataServiceProfile attribute) (httk.serve.dsp.models.DcatDataServiceProfile attribute) (httk.serve.dsp.models.DistributionProfile attribute) (httk.serve.dsp.models.OfferProfile attribute) (httk.serve.dsp.OfferProfile attribute) (httk.workflow.languages.cwl.FileRecord attribute) (httk.workflow.protocol.JobDefinition attribute) ID_FIELD (in module httk.store.query) (in module httk.store.query.protocols) identifier (httk.store.backend.mongo.evaluator.MongoScope attribute) (httk.store.backend.mongo.leases.Lease attribute) identifiers (httk.serve.http.openapi.OpenAPISchemaRegistry property) (httk.serve.http.openapi.schemas.OpenAPISchemaRegistry property) identify_wyckoff() (httk.atomistic.Spacegroup method) (httk.atomistic.symmetry.Spacegroup method) (httk.atomistic.symmetry.spacegroup.Spacegroup method) identity() (httk.atomistic.AffineOperation class method) (httk.atomistic.SettingTransform class method) (httk.atomistic.symmetry.affine_operation.AffineOperation class method) (httk.atomistic.symmetry.AffineOperation class method) (httk.atomistic.symmetry.setting_transform.SettingTransform class method) (httk.atomistic.symmetry.SettingTransform class method) identity_command() (in module httk.core.identity_cli) IDENTITY_CONFIG_FORMAT (in module httk.core.identity) IDENTITY_CONFIG_FORMAT_VERSION (in module httk.core.identity) identity_config_path() (in module httk.core.identity) IDENTITY_KEY_MEMBER (in module httk.core.identity) identity_key_paths() (in module httk.core.identity) identity_name (httk.core.storage.markers.StorageInfo attribute) (httk.core.storage.StorageInfo attribute) (httk.core.StorageInfo attribute) identity_owner_tables() (in module httk.store.backend.sql.mapping) identity_public_key() (in module httk.core.identity) identity_seed() (in module httk.core.identity) IDENTITY_SIGNATURE_DOMAIN (in module httk.core.identity) IDENTITY_SIGNATURE_MEMBER (in module httk.core.identity) identity_stable (httk.workflow.CollectedJob attribute) (httk.workflow.collecting.CollectedJob attribute) (httk.workflow.compat.v1.V1FinishedTask property) IdentityCaches (class in httk.store.store_common) IdentitySkip (class in httk.core) (class in httk.core.storage) (class in httk.core.storage.markers) IdLedger (class in httk.store) (class in httk.store.id_ledger) IdLedgerError, [1] ids (httk.analyse.matsci.phase_diagrams.PhaseDiagram property) (httk.analyse.matsci.PhaseDiagram property) ImmutabilityError, [1] immutable_id (httk.atomistic.FundamentalDomainStructureRecord attribute) (httk.atomistic.FundamentalDomainTemplateRecord attribute) (httk.atomistic.models.structure.optimade.OptimadeStructure property) (httk.atomistic.models.structure.OptimadeStructure property) (httk.atomistic.models.structure.record.RecordStructure property) (httk.atomistic.models.structure.RecordStructure property) (httk.atomistic.models.structure.semantics.StructureSemanticsMixin property) (httk.atomistic.models.structure.StructureSemanticsMixin property) (httk.atomistic.models.structure.unitcell_view.UnitcellStructureView property) (httk.atomistic.models.structure.UnitcellStructureView property) (httk.atomistic.models.trajectory.TrajectoryView property) (httk.atomistic.models.trajectory.view.TrajectoryView property) (httk.atomistic.OptimadeStructure property) (httk.atomistic.ProtostructureRecord attribute) (httk.atomistic.PrototypeRecord attribute) (httk.atomistic.storage.FundamentalDomainStructureRecord attribute) (httk.atomistic.storage.FundamentalDomainTemplateRecord attribute) (httk.atomistic.storage.ProtostructureRecord attribute) (httk.atomistic.storage.PrototypeRecord attribute) (httk.atomistic.storage.records.FundamentalDomainStructureRecord attribute) (httk.atomistic.storage.records.FundamentalDomainTemplateRecord attribute) (httk.atomistic.storage.records.ProtostructureRecord attribute) (httk.atomistic.storage.records.PrototypeRecord attribute) (httk.atomistic.storage.records.TrajectoryRecord attribute) (httk.atomistic.storage.records.UnitcellStructureRecord attribute) (httk.atomistic.storage.TrajectoryRecord attribute) (httk.atomistic.storage.UnitcellStructureRecord attribute) (httk.atomistic.TrajectoryRecord attribute) (httk.atomistic.TrajectoryView property) (httk.atomistic.UnitcellStructureRecord attribute) (httk.atomistic.UnitcellStructureView property) (httk.core.Calculation attribute) (httk.core.data_records.DataRecord attribute) (httk.core.DataRecord attribute) (httk.core.entry_types.Calculation attribute) (httk.core.entry_types.File attribute) (httk.core.entry_types.Reference attribute) (httk.core.File attribute) (httk.core.FileRecord attribute) (httk.core.files.FileRecord attribute) (httk.core.optimade.entries.OptimadeEntryBackend property) (httk.core.optimade.OptimadeEntryBackend property) (httk.core.provenance.Run attribute) (httk.core.Reference attribute) (httk.core.Run attribute) (httk.workflow.compat.v1.V1FinishedTask property) (httk.workflow.languages.cwl.FileRecord attribute) IMMUTABLE_ID_OWNERS_TABLE_NAME (in module httk.store.backend.sql.mapping) IMMUTABLE_ID_PATTERN (in module httk.core) (in module httk.core.entry_ids) immutable_mapping() (in module httk.serve.web.providers) implementation (httk.serve.optimade.model.config.OptimadeConfig attribute) (httk.serve.optimade.model.OptimadeConfig attribute) (httk.serve.optimade.OptimadeConfig attribute) implicit_atoms (httk.atomistic.models.structure.api.StructureAPI property) (httk.atomistic.models.structure.StructureAPI property) import_bundle() (httk.workflow.Workspace method) (in module httk.workflow.transfers) import_roots (httk.core.docs.config.VersioningConfig attribute) (httk.core.docs.VersioningConfig attribute) import_v1_configuration() (in module httk.workflow.configuration) import_v1_identity() (in module httk.core.identity) import_v1_project() (in module httk.core.project) (in module httk.core.project.anchor) (in module httk.workflow.projects) import_v1_remote() (in module httk.workflow.adapters) inactivity_timeout (httk.workflow.supervision.FollowSource attribute) incar_tags (httk.workflow.vasp.VaspPreparationOptions attribute) include (httk.serve.optimade.model.request.ValidatedParameters attribute) (httk.serve.optimade.model.ValidatedParameters attribute) (httk.serve.optimade.ValidatedParameters attribute) include_paths (httk.serve.optimade.model.request.ValidatedRequest attribute) (httk.serve.optimade.model.ValidatedRequest attribute) (httk.serve.optimade.ValidatedRequest attribute) IncompleteOptimadeResourceError, [1] index (httk.atomistic.integrations.vasp.io.outcar.OutcarFrame attribute) (httk.atomistic.integrations.vasp.io.OutcarFrame attribute) (httk.atomistic.symmetry.subgroups.SubgroupTransform attribute) (httk.core.dataset_loader.DatasetLoader property) (httk.core.DatasetLoader property) index_specs_for() (in module httk.store.backend.mongo.mapping) Indexed (class in httk.core) (class in httk.core.storage) (class in httk.core.storage.markers) indexed (httk.store.backend.schema.ColumnSpec attribute) indexes (httk.core.storage.markers.StorageInfo attribute) (httk.core.storage.StorageInfo attribute) (httk.core.StorageInfo attribute) IndexSpec (class in httk.store.backend.mongo.mapping) info (httk.core.optimade.filter.parser.ParserSyntaxError attribute) (httk.core.optimade.filter.ParserSyntaxError attribute) (httk.core.optimade.ParserSyntaxError attribute) (httk.serve.optimade.filter.ParserSyntaxError attribute) (httk.serve.optimade.ParserSyntaxError attribute) info_document (httk.core.optimade.OptimadeSchemaSnapshot attribute) (httk.core.optimade.resources.OptimadeSchemaSnapshot attribute) ingest (httk.store.backend.sql.bulk_deferred.DeferredFinalizer attribute) inherit() (httk.workflow.RunnerRef class method) (httk.workflow.sdk.RunnerRef class method) init_command() (in module httk.core.identity_cli) initial_step (httk.workflow.languages.cwl.WorkflowLanguage attribute) (httk.workflow.languages.httk_v1.WorkflowLanguage attribute) (httk.workflow.languages.jobflow.WorkflowLanguage attribute) (httk.workflow.languages.pwd.WorkflowLanguage attribute) (httk.workflow.languages.WorkflowLanguage attribute) (httk.workflow.protocol.JobDefinition attribute) (httk.workflow.protocol.JobSpec attribute) (httk.workflow.scaffold.ResolvedWorkflow attribute) (httk.workflow.scaffold.ScaffoldedJob attribute) (httk.workflow.scaffold.WorkflowProvider attribute) (httk.workflow.ScaffoldedJob attribute)

initialize() (httk.workflow.Attempt class method) (httk.workflow.protocol.ReplayableWorkdirBatch class method) (httk.workflow.sdk.Attempt class method) (httk.workflow.Workspace class method) initialize_identity() (in module httk.core.identity) initialize_project() (in module httk.core.project) (in module httk.core.project.anchor) (in module httk.workflow.projects) initialize_semantics() (in module httk.atomistic.models.structure) (in module httk.atomistic.models.structure.semantics) InMemoryStore (class in httk.serve.optimade) (class in httk.serve.optimade.backend) (class in httk.serve.optimade.backend.memory_store) input_names (httk.workflow.languages.pwd.PwdDocument property) inputs (httk.core.provenance.Run attribute) (httk.core.Run attribute) (httk.workflow.hookapi.InstantiateRequest attribute) (httk.workflow.languages.cwl.LanguagePorts attribute) (httk.workflow.languages.cwl.LanguageRequest attribute) (httk.workflow.languages.httk_v1.LanguagePorts attribute) (httk.workflow.languages.httk_v1.LanguageRequest attribute) (httk.workflow.languages.jobflow.LanguagePorts attribute) (httk.workflow.languages.jobflow.LanguageRequest attribute) (httk.workflow.languages.LanguagePorts attribute) (httk.workflow.languages.LanguageRequest attribute) (httk.workflow.languages.pwd.LanguagePorts attribute) (httk.workflow.languages.pwd.LanguageRequest attribute) (httk.workflow.Runner property) (httk.workflow.scaffold.InstantiateContext attribute) (httk.workflow.scaffold.JobItem attribute) (httk.workflow.scaffold.ResolvedWorkflow attribute) (httk.workflow.scaffold.WorkflowProvider attribute) (httk.workflow.sdk.Runner property) INPUTS_FILE (in module httk.workflow.languages.cwl) inserted (httk.store.store_common.SaveProjection attribute) install_connection_guards() (in module httk.store.backend.clickhouse.support) install_engine_functions() (in module httk.store.backend.duckdb.hooks) (in module httk.store.backend.sqlite.hooks) install_plugin() (in module httk.core.plugins) (in module httk.core.plugins.install) installed() (httk.workflow.RunnerRef class method) (httk.workflow.sdk.RunnerRef class method) installed_plugins() (in module httk.core.plugins) (in module httk.core.plugins.installed) InstalledPlugin (class in httk.core.plugins) (class in httk.core.plugins.installed) instantiate (httk.workflow.languages.cwl.LanguageScaffold attribute) (httk.workflow.languages.httk_v1.LanguageScaffold attribute) (httk.workflow.languages.jobflow.LanguageScaffold attribute) (httk.workflow.languages.LanguageScaffold attribute) (httk.workflow.languages.pwd.LanguageScaffold attribute) (httk.workflow.scaffold.ResolvedWorkflow attribute) (httk.workflow.scaffold.WorkflowProvider attribute) instantiate() (httk.workflow.Runner method) (httk.workflow.sdk.Runner method) instantiate_exec (httk.workflow.scaffold.ResolvedWorkflow attribute) (httk.workflow.scaffold.WorkflowProvider attribute) instantiate_file (httk.core.project.templates.ProjectTemplate attribute) (httk.workflow.scaffold.ResolvedWorkflow attribute) (httk.workflow.scaffold.WorkflowProvider attribute) INSTANTIATE_FORMAT (in module httk.workflow.hookapi) instantiate_main() (in module httk.workflow.hookapi) instantiate_template() (in module httk.core.project.templates) INSTANTIATE_VERSION (in module httk.workflow.hookapi) InstantiateContext (class in httk.workflow.scaffold) InstantiateHandler (in module httk.workflow) (in module httk.workflow.sdk) InstantiateRequest (class in httk.workflow.hookapi) institution (httk.core.entry_types.Reference attribute) (httk.core.Reference attribute) integer_sqrt() (in module httk.core.exactmath) internal_dependencies (httk.core.docs.config.VersioningConfig attribute) (httk.core.docs.VersioningConfig attribute) internal_pins() (in module httk.core.docs) (in module httk.core.docs.lockfile) internal_type (httk.store.backend.sql.provenance_edges.StrongLinkFamily attribute) InternalDependency (class in httk.core.docs) (class in httk.core.docs.config) interpolate_structures() (in module httk.atomistic) (in module httk.atomistic.symmetry.paths) inv() (httk.core.SurdVector method) (httk.core.vectors.fracvector.FracVectorBase method) (httk.core.vectors.SurdVector method) (httk.core.vectors.surdvector.SurdVector method) INVALID (in module httk.core.project.manifests) (in module httk.core.project.sealing) invalidate() (httk.core.MutableFracVector method) (httk.core.vectors.MutableFracVector method) (httk.core.vectors.mutablefracvector.MutableFracVector method) invalidate_marker_index() (httk.workflow.Workspace method) InventoryError, [1] inverse() (httk.atomistic.AffineOperation method) (httk.atomistic.SettingTransform method) (httk.atomistic.symmetry.affine_operation.AffineOperation method) (httk.atomistic.symmetry.AffineOperation method) (httk.atomistic.symmetry.setting_transform.SettingTransform method) (httk.atomistic.symmetry.SettingTransform method) (httk.core.SurdScalar method) (httk.core.vectors.SurdScalar method) (httk.core.vectors.surdvector.SurdScalar method) invert_op (in module httk.serve.optimade.backend.handlers) (in module httk.store.query.optimade_filters) ions_per_type (httk.atomistic.integrations.vasp.io.outcar.OutcarFile property) (httk.atomistic.integrations.vasp.io.OutcarFile property) is_absolute_iri() (in module httk.core.validation) (in module httk.core.validation.iris) is_anonymous (httk.atomistic.ChemicalFormulaView property) (httk.atomistic.Formulatype property) (httk.atomistic.FormulatypeView property) (httk.atomistic.models.formula.api.ChemicalFormulaAPI property) (httk.atomistic.models.formula.ChemicalFormulaAPI property) (httk.atomistic.models.formula.ChemicalFormulaView property) (httk.atomistic.models.formula.formula_view.ChemicalFormulaView property) (httk.atomistic.models.formula.Formulatype property) (httk.atomistic.models.formula.formulatype.Formulatype property) (httk.atomistic.models.formula.formulatype_string.FormulatypeString property) (httk.atomistic.models.formula.formulatype_view.FormulatypeView property) (httk.atomistic.models.formula.FormulatypeString property) (httk.atomistic.models.formula.FormulatypeView property) (httk.atomistic.models.formula.wyckoff.WyckoffComposition property) is_canonical (httk.atomistic.models.structuretype.api.StructuretypeAPI property) (httk.atomistic.models.structuretype.StructuretypeAPI property) is_dummy_species() (in module httk.atomistic.models.structuretype) (in module httk.atomistic.models.structuretype.anonymize) is_field_name() (in module httk.serve.http) (in module httk.serve.http.fields) is_field_value() (in module httk.serve.http) (in module httk.serve.http.fields) is_gamma (httk.atomistic.PlaneWaveFunctions property) (httk.atomistic.wavefunction.PlaneWaveFunctions property) is_https_url() (in module httk.core.validation) (in module httk.core.validation.iris) is_identity() (httk.atomistic.AffineOperation method) (httk.atomistic.SettingTransform method) (httk.atomistic.symmetry.affine_operation.AffineOperation method) (httk.atomistic.symmetry.AffineOperation method) (httk.atomistic.symmetry.setting_transform.SettingTransform method) (httk.atomistic.symmetry.SettingTransform method) is_in() (httk.serve.optimade.backend.memory_store.MemoryField method) (httk.serve.optimade.backend.protocols.SearchField method) (httk.serve.optimade.backend.SearchField method) (httk.store.backend.mongo.searcher.MongoField method) (httk.store.backend.sql.searcher.SqlColumn method) (httk.store.federated_store.FederatedField method) (httk.store.query.protocols.SearchField method) (httk.store.query.SearchField method) (httk.store.SearchField method) is_json_encodable_text() (in module httk.serve.http) (in module httk.serve.http.identifiers) is_niggli_reduced() (in module httk.atomistic) (in module httk.atomistic.reduction) is_null() (httk.core.storage.QueryContext method) (httk.core.storage.stored_properties.QueryContext method) is_on_hull() (httk.analyse.generic.lower_hull.LowerConvexHull method) (httk.analyse.generic.LowerConvexHull method) is_optimade_entry_url() (in module httk.core.optimade) (in module httk.core.optimade.resources) is_ordered (httk.atomistic.models.species.api.SpeciesAPI property) (httk.atomistic.models.species.SpeciesAPI property) is_payload_private() (in module httk.workflow.protocol) is_project_sealed() (in module httk.core.project) (in module httk.core.project.sealing) is_rational (httk.core.SurdVector property) (httk.core.vectors.SurdVector property) (httk.core.vectors.surdvector.SurdVector property) is_release_dir_name() (in module httk.core.docs) (in module httk.core.docs.semver) is_restart (httk.workflow.protocol.AttemptContext attribute) (httk.workflow.runtime.AttemptContext attribute) is_root_relative_url() (in module httk.core.validation) (in module httk.core.validation.iris) is_sequence() (in module httk.atomistic.io.cif.cif_writer) is_single_element (httk.atomistic.models.species.Species property) (httk.atomistic.models.species.species.Species property) (httk.atomistic.Species property) is_stable() (httk.analyse.matsci.phase_diagrams.PhaseDiagram method) (httk.analyse.matsci.PhaseDiagram method) is_stale() (httk.workflow.manifests.MaintenanceLock method) is_standard_setting (httk.atomistic.FundamentalDomainStructure property) (httk.atomistic.models.structure.asu.FundamentalDomainStructure property) (httk.atomistic.models.structure.FundamentalDomainStructure property) (httk.atomistic.Spacegroup property) (httk.atomistic.symmetry.Spacegroup property) (httk.atomistic.symmetry.spacegroup.Spacegroup property) is_unclean_restart (httk.workflow.protocol.AttemptContext attribute) (httk.workflow.runtime.AttemptContext attribute) is_url_safe_id() (in module httk.core) (in module httk.core.entry_ids) is_zero() (httk.core.SurdVector method) (httk.core.vectors.SurdVector method) (httk.core.vectors.surdvector.SurdVector method) isanyinf() (in module httk.core.vectors.vectormath) isanynan() (in module httk.core.vectors.vectormath) isin() (httk.store.query.slicer.SlicerColumn method) (httk.store.query.SlicerColumn method) isinf() (in module httk.core.vectors.vectormath) IsInNode (class in httk.store.backend.mongo.searcher) isna() (httk.store.query.slicer.SlicerColumn method) (httk.store.query.SlicerColumn method) isnan() (in module httk.core.vectors.vectormath) isomorphic_subgroup_record() (in module httk.atomistic.data) issues (httk.atomistic.integrations.vasp.io.outcar.OutcarFile property) (httk.atomistic.integrations.vasp.io.OutcarFile property) (httk.atomistic.integrations.vasp.io.xdatcar.XdatcarFile property) (httk.atomistic.integrations.vasp.io.XdatcarFile property) (httk.atomistic.io.optimade_jsonl.TrajectoryJsonlFile property) it_number (httk.atomistic.Spacegroup property) (httk.atomistic.symmetry.Spacegroup property) (httk.atomistic.symmetry.spacegroup.Spacegroup property) items() (httk.core.register.PluginRegistry method) iter_journal_frames() (in module httk.workflow.protocol) iter_segment_frames() (in module httk.workflow.protocol)

J

JinjaTemplateEngine (class in httk.serve.web.templating) (class in httk.serve.web.templating.jinja2_engine) job (httk.workflow.Attempt property) (httk.workflow.collecting.JobRecord attribute) (httk.workflow.executors.AttemptLaunch attribute) (httk.workflow.executors.OutcomeCommit attribute) (httk.workflow.JobRecord attribute) (httk.workflow.sdk.Attempt property) (httk.workflow.transfers.TransferCandidate attribute) job_digest() (in module httk.workflow.protocol) job_id (httk.workflow.ChildResult attribute) (httk.workflow.collecting.JobRecord attribute) (httk.workflow.JobRecord attribute) (httk.workflow.protocol.AttemptContext attribute) (httk.workflow.protocol.ChildReference attribute) (httk.workflow.protocol.JobSpec attribute) (httk.workflow.protocol.Marker property) (httk.workflow.runtime.AttemptContext attribute) (httk.workflow.scaffold.ScaffoldedJob attribute) (httk.workflow.ScaffoldedJob attribute) (httk.workflow.sdk.ChildResult attribute) (httk.workflow.transfers.TransferCandidate attribute) job_key (httk.workflow.ChildResult attribute) (httk.workflow.collecting.JobRecord attribute) (httk.workflow.JobRecord attribute) (httk.workflow.protocol.AttemptContext attribute) (httk.workflow.protocol.ChildReference attribute) (httk.workflow.protocol.JobDefinition property) (httk.workflow.protocol.Marker attribute) (httk.workflow.runtime.AttemptContext attribute) (httk.workflow.scaffold.ScaffoldedJob attribute) (httk.workflow.ScaffoldedJob attribute) (httk.workflow.sdk.ChildResult attribute) (httk.workflow.transfers.TransferCandidate attribute) job_records() (in module httk.workflow) (in module httk.workflow.collecting) job_remedy_history_path() (in module httk.workflow.vasp) JOB_SCAFFOLD_FORMAT (in module httk.workflow.scaffold) JOB_STATE_DIRECTORY (in module httk.workflow.protocol) JobDefinition (class in httk.workflow.protocol) JobflowFormatError JobItem (class in httk.workflow.scaffold)

JobRecord (class in httk.workflow) (class in httk.workflow.collecting) JobSpec (class in httk.workflow.protocol) JobState (class in httk.workflow) join (httk.workflow.protocol.AttemptContext attribute) (httk.workflow.protocol.StateFrame property) (httk.workflow.runtime.AttemptContext attribute) join_grace_seconds (httk.workflow.TaskManager attribute) join_mapping() (in module httk.workflow.protocol) join_summary (httk.workflow.protocol.StateFrame property) join_unresolved (httk.workflow.protocol.StateFrame property) join_url_path() (in module httk.serve.http) (in module httk.serve.http.webhook) JoinCondition (in module httk.workflow.protocol) journal (httk.core.entry_types.Reference attribute) (httk.core.Reference attribute) journal_days (httk.workflow.protocol.RetentionPolicy attribute) journal_segment_bytes (httk.workflow.protocol.WorkspacePolicy attribute) JournalFrame (class in httk.workflow.protocol) json_get_app() (in module httk.serve.http) (in module httk.serve.http.api) json_response (httk.serve.optimade.EndpointResponse attribute) (httk.serve.optimade.model.EndpointResponse attribute) (httk.serve.optimade.model.request.EndpointResponse attribute) json_type (httk.core.property_definitions.PropertyDefinition property) (httk.core.PropertyDefinition property) JsonDocument (in module httk.serve.http) (in module httk.serve.http.api) JsonDocumentFactory (in module httk.serve.http) (in module httk.serve.http.api) JsonFormatter (class in httk.core.report) jsonld_get_app() (in module httk.serve.http) (in module httk.serve.http.api) JsonlTrajectory (class in httk.atomistic) (class in httk.atomistic.models.trajectory) (class in httk.atomistic.models.trajectory.jsonl) JsonScalar (in module httk.serve) (in module httk.serve.dsp.models) (in module httk.serve.jsondata) JsonValue (in module httk.serve) (in module httk.serve.dsp) (in module httk.serve.dsp.models) (in module httk.serve.jsondata)

K

k_subtype (httk.atomistic.symmetry.subgroups.SubgroupTransform attribute) keeper_database_uuid() (in module httk.store.backend.clickhouse.support) keeper_metadata_path() (in module httk.store.backend.clickhouse.support) key (httk.core.entry_types.Reference attribute) (httk.core.Reference attribute) (httk.serve.http.openapi.binding.BoundParameter attribute) (httk.serve.http.openapi.BoundParameter attribute) (httk.serve.web.providers.TableColumn attribute) (httk.serve.web.TableColumn attribute) (httk.store.backend.mongo.mapping.DocumentFieldSpec property) (httk.store.backend.mongo.mapping.IndexSpec property) key_fingerprint() (in module httk.core.project) (in module httk.core.project.anchor) (in module httk.workflow.projects) keys (httk.core.project.sealing.SealKeys attribute) (httk.core.project.SealKeys attribute) (httk.store.backend.mongo.mapping.DocumentFieldSpec attribute) (httk.store.backend.mongo.mapping.IndexSpec attribute) keys() (httk.core.dataset_loader.DatasetLoaderRecord method) (httk.core.DatasetLoaderRecord method) (httk.core.register.PluginRegistry method) keys_home() (in module httk.core.identity) kgrid_size (httk.atomistic.PlaneWaveFunctions property) (httk.atomistic.wavefunction.PlaneWaveFunctions property) kind (httk.atomistic.CartesianSiteMoments attribute) (httk.atomistic.CollinearSiteMoments attribute) (httk.atomistic.CrystalAxisSiteMoments attribute) (httk.atomistic.DatastreamStructure attribute) (httk.atomistic.FundamentalDomainStructure attribute) (httk.atomistic.FundamentalDomainTemplate attribute) (httk.atomistic.integrations.pymatgen.models.PymatgenStructure attribute) (httk.atomistic.integrations.pymatgen.PymatgenStructure attribute) (httk.atomistic.integrations.PymatgenStructure attribute) (httk.atomistic.integrations.vasp.structure.VASPStructure attribute) (httk.atomistic.integrations.vasp.trajectory.VASPTrajectory attribute) (httk.atomistic.integrations.vasp.VASPStructure attribute) (httk.atomistic.integrations.vasp.VASPTrajectory attribute) (httk.atomistic.integrations.VASPStructure attribute) (httk.atomistic.integrations.VASPTrajectory attribute) (httk.atomistic.JsonlTrajectory attribute) (httk.atomistic.models.formula.wyckoff.WyckoffComposition attribute) (httk.atomistic.models.moments.cartesian.CartesianSiteMoments attribute) (httk.atomistic.models.moments.CartesianSiteMoments attribute) (httk.atomistic.models.moments.collinear.CollinearSiteMoments attribute) (httk.atomistic.models.moments.CollinearSiteMoments attribute) (httk.atomistic.models.moments.crystalaxis.CrystalAxisSiteMoments attribute) (httk.atomistic.models.moments.CrystalAxisSiteMoments attribute) (httk.atomistic.models.protostructure.label_string.ProtostructureLabelString attribute) (httk.atomistic.models.protostructure.Protostructure attribute) (httk.atomistic.models.protostructure.protostructure.Protostructure attribute) (httk.atomistic.models.protostructure.recognized.RecognizedProtostructure attribute) (httk.atomistic.models.prototype.derived.DerivedPrototype attribute) (httk.atomistic.models.prototype.label_string.PrototypeLabelString attribute) (httk.atomistic.models.prototype.Prototype attribute) (httk.atomistic.models.prototype.prototype.Prototype attribute) (httk.atomistic.models.prototype.recognized.RecognizedPrototype attribute) (httk.atomistic.models.structure.asu.FundamentalDomainStructure attribute) (httk.atomistic.models.structure.datastream.DatastreamStructure attribute) (httk.atomistic.models.structure.DatastreamStructure attribute) (httk.atomistic.models.structure.FundamentalDomainStructure attribute) (httk.atomistic.models.structure.modulated.ModulatedStructure attribute) (httk.atomistic.models.structure.optimade.OptimadeStructure attribute) (httk.atomistic.models.structure.OptimadeStructure attribute) (httk.atomistic.models.structure.symops.SymopsStructure attribute) (httk.atomistic.models.structure.unitcell.UnitcellStructure attribute) (httk.atomistic.models.structure.UnitcellStructure attribute) (httk.atomistic.models.structuretype.anonymized.AnonymizedStructure attribute) (httk.atomistic.models.structuretype.fundamental.FundamentalDomainTemplate attribute) (httk.atomistic.models.structuretype.FundamentalDomainTemplate attribute) (httk.atomistic.models.structuretype.Structuretype attribute) (httk.atomistic.models.structuretype.structuretype.Structuretype attribute) (httk.atomistic.models.trajectory.jsonl.JsonlTrajectory attribute) (httk.atomistic.models.trajectory.JsonlTrajectory attribute) (httk.atomistic.models.trajectory.plain.PlainTrajectory attribute) (httk.atomistic.models.trajectory.PlainTrajectory attribute) (httk.atomistic.models.trajectory.Trajectory attribute) (httk.atomistic.models.trajectory.trajectory.Trajectory attribute) (httk.atomistic.ModulatedStructure attribute) (httk.atomistic.OptimadeStructure attribute) (httk.atomistic.PlainTrajectory attribute) (httk.atomistic.Protostructure attribute) (httk.atomistic.Prototype attribute) (httk.atomistic.PymatgenStructure attribute) (httk.atomistic.Structuretype attribute) (httk.atomistic.SymopsStructure attribute) (httk.atomistic.Trajectory attribute) (httk.atomistic.UnitcellStructure attribute) (httk.atomistic.VASPStructure attribute) (httk.atomistic.VASPTrajectory attribute) (httk.core.optimade.entries.OptimadeEntryBackend attribute) (httk.core.optimade.OptimadeEntryBackend attribute) (httk.core.project.Discrepancy attribute) (httk.core.project.members.ProjectMember attribute) (httk.core.project.ProjectMember attribute) (httk.core.project.Seal attribute) (httk.core.project.sealing.Discrepancy attribute) (httk.core.project.sealing.Seal attribute) (httk.serve.dsp.DspProtocolError attribute) (httk.serve.dsp.models.DspProtocolError attribute) (httk.serve.http.openapi.binding.BoundParameter attribute) (httk.serve.http.openapi.BoundParameter attribute) (httk.serve.web.model.page.ResolvedRoute attribute) (httk.serve.web.model.ResolvedRoute attribute) (httk.store.backend.mongo.evaluator.MongoPredicate attribute) (httk.store.backend.mongo.evaluator.MongoValue attribute) (httk.store.backend.schema.ColumnSpec attribute) (httk.store.backend.sql.graph.LogicalEdge attribute) (httk.workflow.ChildResult attribute) (httk.workflow.protocol.Marker attribute) (httk.workflow.sdk.ChildResult attribute)

known_cli_commands() (in module httk.core.register.cli) known_compressions() (in module httk.core) (in module httk.core.datastream) (in module httk.core.datastream.compression) known_definition_prefixes() (in module httk.core) (in module httk.core.property_definitions) known_entry_families() (in module httk.core.register) (in module httk.core.register.entries) known_entry_providers() (in module httk.core) (in module httk.core.register) (in module httk.core.register.entries) known_entry_records() (in module httk.core.register) (in module httk.core.register.entries) known_entry_type_definitions() (in module httk.core.register) (in module httk.core.register.schemas) known_extensions() (in module httk.core.register) (in module httk.core.register.io) known_filenames() (in module httk.core.register) (in module httk.core.register.io) known_format_adapters() (in module httk.core.register) (in module httk.core.register.io) known_leaf_codecs() (in module httk.core.vectors) (in module httk.core.vectors.leaf_codecs) known_optimade_entry_bindings() (in module httk.core.register) (in module httk.core.register.entries) known_project_member_kinds() (in module httk.core) (in module httk.core.register) (in module httk.core.register.members) known_property_definitions() (in module httk.core.register) (in module httk.core.register.schemas) known_unknown_handler() (in module httk.serve.optimade.backend.handlers) (in module httk.store.query.optimade_filters) known_value_codecs() (in module httk.store.backend.codecs) KNOWN_VERSIONS (in module httk.workflow.languages.pwd) known_writer_formats() (in module httk.core.register) (in module httk.core.register.io) known_writers() (in module httk.core.register) (in module httk.core.register.io) KPOINT_CENTERINGS (in module httk.workflow.vasp) kpoint_density (httk.workflow.vasp.VaspPreparationOptions attribute) kpoints (httk.atomistic.integrations.vasp.io.wavecar.WavecarFile attribute) (httk.atomistic.PlaneWaveFunctions property) (httk.atomistic.wavefunction.PlaneWaveFunctions property)

L

label (httk.atomistic.models.protostructure.api.ProtostructureAPI property) (httk.atomistic.models.protostructure.ProtostructureAPI property) (httk.atomistic.models.prototype.api.PrototypeAPI property) (httk.atomistic.models.prototype.occupation.PrototypeOccupation attribute) (httk.atomistic.models.prototype.PrototypeAPI property) (httk.atomistic.models.prototype.PrototypeOccupation attribute) (httk.atomistic.ProtostructureRecord property) (httk.atomistic.PrototypeOccupation attribute) (httk.atomistic.PrototypeRecord property) (httk.atomistic.storage.ProtostructureRecord property) (httk.atomistic.storage.PrototypeRecord property) (httk.atomistic.storage.records.ProtostructureRecord property) (httk.atomistic.storage.records.PrototypeRecord property) (httk.atomistic.storage.records.SpeciesConstituentRecord attribute) (httk.atomistic.storage.SpeciesConstituentRecord attribute) (httk.core.entry_provider.RelatedEntry attribute) (httk.core.identity.OperatorIdentity property) (httk.core.ProductLink attribute) (httk.core.provenance.ProductLink attribute) (httk.core.provenance.RunEdge attribute) (httk.core.RelatedEntry attribute) (httk.core.RunEdge attribute) (httk.serve.web.providers.TableColumn attribute) (httk.serve.web.TableColumn attribute) (httk.workflow.ChildResult attribute) (httk.workflow.sdk.ChildResult attribute) labels (httk.atomistic.io.cif.cif_parser.AsuCell attribute) (httk.atomistic.models.species.api.SpeciesAPI property) (httk.atomistic.models.species.plain.PlainSpecies property) (httk.atomistic.models.species.PlainSpecies property) (httk.atomistic.models.species.record.RecordSpecies property) (httk.atomistic.models.species.Species attribute) (httk.atomistic.models.species.species.Species attribute) (httk.atomistic.models.species.SpeciesAPI property) (httk.atomistic.Species attribute) (httk.atomistic.storage.records.SpeciesRecord property) (httk.atomistic.storage.SpeciesRecord property) (httk.workflow.ChildrenView property) (httk.workflow.sdk.ChildrenView property) language (httk.workflow.scaffold.ResolvedWorkflow attribute) (httk.workflow.scaffold.WorkflowProvider attribute) LANGUAGE (in module httk.workflow.languages.cwl) (in module httk.workflow.languages.httk_v1) (in module httk.workflow.languages.jobflow) (in module httk.workflow.languages.pwd) language() (in module httk.workflow.languages) LanguageOutputsMissingError, [1] LanguagePorts (class in httk.workflow.languages) (class in httk.workflow.languages.cwl) (class in httk.workflow.languages.httk_v1) (class in httk.workflow.languages.jobflow) (class in httk.workflow.languages.pwd) LanguageRequest (class in httk.workflow.languages) (class in httk.workflow.languages.cwl) (class in httk.workflow.languages.httk_v1) (class in httk.workflow.languages.jobflow) (class in httk.workflow.languages.pwd) LanguageScaffold (class in httk.workflow.languages) (class in httk.workflow.languages.cwl) (class in httk.workflow.languages.httk_v1) (class in httk.workflow.languages.jobflow) (class in httk.workflow.languages.pwd) last (httk.atomistic.ObservableSummaryRecord attribute) (httk.atomistic.storage.ObservableSummaryRecord attribute) (httk.atomistic.storage.records.ObservableSummaryRecord attribute) last_error (httk.serve.dsp.DeliveryStatus attribute) (httk.serve.dsp.models.DeliveryStatus attribute) last_frame (httk.atomistic.integrations.vasp.io.outcar.OutcarFile property) (httk.atomistic.integrations.vasp.io.OutcarFile property) last_modified (httk.atomistic.FundamentalDomainStructureRecord attribute) (httk.atomistic.models.structure.optimade.OptimadeStructure property) (httk.atomistic.models.structure.OptimadeStructure property) (httk.atomistic.models.structure.record.RecordStructure property) (httk.atomistic.models.structure.RecordStructure property) (httk.atomistic.models.structure.semantics.StructureSemanticsMixin property) (httk.atomistic.models.structure.StructureSemanticsMixin property) (httk.atomistic.models.structure.unitcell_view.UnitcellStructureView property) (httk.atomistic.models.structure.UnitcellStructureView property) (httk.atomistic.models.trajectory.TrajectoryView property) (httk.atomistic.models.trajectory.view.TrajectoryView property) (httk.atomistic.OptimadeStructure property) (httk.atomistic.storage.FundamentalDomainStructureRecord attribute) (httk.atomistic.storage.records.FundamentalDomainStructureRecord attribute) (httk.atomistic.storage.records.TrajectoryRecord attribute) (httk.atomistic.storage.records.UnitcellStructureRecord attribute) (httk.atomistic.storage.TrajectoryRecord attribute) (httk.atomistic.storage.UnitcellStructureRecord attribute) (httk.atomistic.TrajectoryRecord attribute) (httk.atomistic.TrajectoryView property) (httk.atomistic.UnitcellStructureRecord attribute) (httk.atomistic.UnitcellStructureView property) (httk.core.Calculation attribute) (httk.core.data_records.DataRecord attribute) (httk.core.DataRecord attribute) (httk.core.entry_types.Calculation attribute) (httk.core.entry_types.File attribute) (httk.core.entry_types.Reference attribute) (httk.core.File attribute) (httk.core.FileRecord attribute) (httk.core.files.FileRecord attribute) (httk.core.optimade.entries.OptimadeEntryBackend property) (httk.core.optimade.OptimadeEntryBackend property) (httk.core.provenance.Run attribute) (httk.core.Reference attribute) (httk.core.Run attribute) (httk.workflow.languages.cwl.FileRecord attribute) last_oszicar_energy() (in module httk.workflow.vasp) last_vasprun_volume() (in module httk.workflow.vasp) latest_main_condition() (in module httk.store.backend.sql.provenance_edges) latest_main_run_sids() (in module httk.store.backend.sql.provenance_edges) lattice (httk.atomistic.integrations.pymatgen.models.PymatgenStructureProtocol attribute) (httk.atomistic.integrations.pymatgen.PymatgenStructureProtocol attribute) (httk.atomistic.integrations.PymatgenStructureProtocol attribute) (httk.atomistic.PymatgenStructureProtocol attribute) (httk.workflow.vasp.PoscarHeader attribute) lattice_cosets() (httk.atomistic.SettingTransform method) (httk.atomistic.symmetry.setting_transform.SettingTransform method) (httk.atomistic.symmetry.SettingTransform method) lattice_vectors (httk.atomistic.models.structure.numeric_view.NumericUnitcellStructureView property) (httk.atomistic.models.structure.NumericUnitcellStructureView property) (httk.atomistic.models.structure.optimade.OptimadeStructure property) (httk.atomistic.models.structure.OptimadeStructure property) (httk.atomistic.models.structure.semantics.StructureSemanticsMixin property) (httk.atomistic.models.structure.StructureSemanticsMixin property) (httk.atomistic.NumericUnitcellStructureView property) (httk.atomistic.OptimadeStructure property) launchers_home() (in module httk.workflow.configuration) layout (httk.store.backend.mongo.store.MongoStore property) (httk.store.backend.sql.store.SqlStore property) (httk.store.backend.sql.stored_properties.StoredPropertySqlPlan attribute) ldexp() (in module httk.core.vectors.vectormath) leaf_codec_for_name() (in module httk.core.vectors.leaf_codecs) LeafCodec (class in httk.core.vectors) (class in httk.core.vectors.leaf_codecs) Lease (class in httk.store.backend.mongo.leases) lease_seconds (httk.workflow.protocol.StateFrame property) (httk.workflow.protocol.WorkspacePolicy attribute) (httk.workflow.TaskManager attribute) LeaseLostError

LeaseTiming (class in httk.store.backend.mongo.leases) ledger_key() (in module httk.workflow) left (httk.store.backend.mongo.searcher.AndNode attribute) (httk.store.backend.mongo.searcher.OrNode attribute) legacy_priority() (in module httk.workflow.compat.v1) LEGACY_TEMPLATE_SUFFIXES (in module httk.serve.web.templating.httk_compat) LegacyProjectError, [1], [2] length (httk.serve.optimade.backend.partial.PartialDimension attribute) (httk.serve.optimade.backend.PartialDimension attribute) length() (httk.core.SurdVector method) (httk.core.vectors.SurdVector method) (httk.core.vectors.surdvector.SurdVector method) lengths (httk.atomistic.Cell property) (httk.atomistic.CellParams property) (httk.atomistic.CellView property) (httk.atomistic.models.cell.api.CellAPI property) (httk.atomistic.models.cell.Cell property) (httk.atomistic.models.cell.cell.Cell property) (httk.atomistic.models.cell.CellAPI property) (httk.atomistic.models.cell.CellParams property) (httk.atomistic.models.cell.CellView property) (httk.atomistic.models.cell.numeric.NumericCell property) (httk.atomistic.models.cell.NumericCell property) (httk.atomistic.models.cell.params.CellParams property) (httk.atomistic.models.cell.view.CellView property) lengthsqr() (httk.core.SurdVector method) (httk.core.vectors.fracvector.FracVectorBase method) (httk.core.vectors.SurdVector method) (httk.core.vectors.surdvector.SurdVector method) letter (httk.atomistic.symmetry.subgroups.WyckoffSplitPiece attribute) (httk.atomistic.symmetry.wyckoff.WyckoffPosition property) (httk.atomistic.symmetry.WyckoffPosition property) (httk.atomistic.WyckoffPosition property) level (httk.core.report.ReportFilter attribute) lgamma() (in module httk.core.vectors.vectormath) library (httk.workflow.vasp.PotcarAssembly attribute) license (httk.serve.optimade.model.config.OptimadeConfig attribute) (httk.serve.optimade.model.OptimadeConfig attribute) (httk.serve.optimade.OptimadeConfig attribute) lifecycle_generation (httk.store.backend.sql.engine.Backend property) lifecycle_guard() (httk.store.backend.sql.engine.Backend method) lift_candidates() (in module httk.atomistic) (in module httk.atomistic.symmetry.lift) LiftResult (class in httk.atomistic) (class in httk.atomistic.symmetry.lift) limit (httk.serve.optimade.backend.execution.StoreResults attribute) (httk.serve.optimade.backend.StoreResults attribute) limit_denominator() (httk.core.vectors.fracvector.FracVectorBase method) line (httk.core.optimade.filter.parser.ParserSyntaxError attribute) (httk.core.optimade.filter.ParserSyntaxError attribute) (httk.core.optimade.ParserSyntaxError attribute) (httk.serve.optimade.filter.ParserSyntaxError attribute) (httk.serve.optimade.ParserSyntaxError attribute) (httk.serve.web.renderers.base.WidgetPlacement attribute) (httk.workflow.supervision.SourceEvent attribute) linestr (httk.core.optimade.filter.parser.ParserSyntaxError attribute) (httk.core.optimade.filter.ParserSyntaxError attribute) (httk.core.optimade.ParserSyntaxError attribute) (httk.serve.optimade.filter.ParserSyntaxError attribute) (httk.serve.optimade.ParserSyntaxError attribute) link() (httk.store.backend.mongo.store.MongoStore method) (httk.store.backend.sql.store.SqlStore method) link_index_specs_for() (in module httk.store.backend.mongo.mapping) link_table_for() (in module httk.store.backend.sql.mapping) link_validator_for() (in module httk.store.backend.mongo.mapping) linked() (httk.store.backend.mongo.store.MongoStore method) (httk.store.backend.sql.store.SqlStore method) LinkPredicateNode (class in httk.store.backend.mongo.searcher) links (httk.core.storage.markers.StorageInfo attribute) (httk.core.storage.StorageInfo attribute) (httk.core.StorageInfo attribute) (httk.serve.optimade.model.config.OptimadeConfig attribute) (httk.serve.optimade.model.OptimadeConfig attribute) (httk.serve.optimade.OptimadeConfig attribute) (httk.store.backend.mongo.searcher.MongoVariable property) (httk.store.backend.schema.TableSchema attribute) LinkSpec (class in httk.store.backend.schema) list_remotes() (in module httk.workflow.adapters) list_representations() (in module httk.atomistic) (in module httk.atomistic.symmetry.paths) listed_site_moments (httk.atomistic.models.structure.symops.SymopsStructure property) (httk.atomistic.SymopsStructure property) listed_sites (httk.atomistic.models.structure.symops.SymopsStructure property) (httk.atomistic.SymopsStructure property) listed_species_at_sites (httk.atomistic.models.structure.symops.SymopsStructure property) (httk.atomistic.SymopsStructure property) literal (httk.store.backend.mongo.evaluator.MongoValue attribute) (httk.store.backend.mongo.searcher.ComparisonNode attribute) load() (in module httk.core) (in module httk.core.loading) load_cwl_inputs() (in module httk.workflow.languages.cwl) load_cwl_plan() (in module httk.workflow.languages.cwl) load_entry_type_definition() (in module httk.core) (in module httk.core.register) (in module httk.core.register.schemas) load_httk_definitions() (in module httk.atomistic.entries) (in module httk.atomistic.entries.definitions) load_job() (httk.workflow.Workspace method) load_many() (in module httk.core) (in module httk.core.loading) load_packaged_contract() (in module httk.serve.http.openapi) (in module httk.serve.http.openapi.resources) load_parquet_stages() (in module httk.store.backend.clickhouse.support) load_property_definition() (in module httk.core) (in module httk.core.register) (in module httk.core.register.schemas) load_pwd_document() (in module httk.workflow.languages.pwd) load_source() (in module httk.core) (in module httk.core.loading) load_versioning_config() (in module httk.core.docs) (in module httk.core.docs.config) local (httk.workflow.manifests.MaintenanceLock property) local_public_keys() (in module httk.core.identity) local_schema (httk.core.optimade.entries.OptimadeEntryBackend property) (httk.core.optimade.OptimadeEntryBackend property) location (httk.serve.http.openapi.app.OpenAPIParameter attribute) (httk.serve.http.openapi.OpenAPIParameter attribute) lock_path (httk.core.docs.release.ReleaseCheck attribute) (httk.core.docs.ReleaseCheck attribute) LockError, [1] log (httk.workflow.Attempt attribute) (httk.workflow.sdk.Attempt attribute) log() (in module httk.core.exactmath) (in module httk.core.vectors.vectormath) log10() (in module httk.core.exactmath) (in module httk.core.vectors.vectormath) log1p() (in module httk.core.vectors.vectormath) LOG_LEVELS (in module httk.core.report) logger (in module httk.atomistic.integrations.vasp.io.poscar_reader) (in module httk.atomistic.io.cif.cif_reader) LOGICAL_ID_COLUMN (in module httk.store.backend.sql.mapping) LogicalEdge (class in httk.store.backend.sql.graph) LogicalEdgeGraph (class in httk.store.backend.sql.graph) LOGS_DIRECTORY (in module httk.workflow.protocol) lookup() (httk.serve.http.openapi.OpenAPISchemaRegistry method) (httk.serve.http.openapi.schemas.OpenAPISchemaRegistry method) (httk.store.id_ledger.IdLedger method) (httk.store.IdLedger method) LowerConvexHull (class in httk.analyse.generic) (class in httk.analyse.generic.lower_hull)

M

machine_names() (in module httk.workflow.configuration) mag_asus_from_mcif_file() (in module httk.atomistic.io.cif) (in module httk.atomistic.io.cif.mcif_parser) magics (httk.core.CompressionCodec attribute) (httk.core.datastream.compression.CompressionCodec attribute) (httk.core.datastream.CompressionCodec attribute) magnetic_cartesian_moment (httk.atomistic.io.cif.cif_tags.CifTags attribute) magnetic_fourier_coeff (httk.atomistic.io.cif.cif_tags.CifTags attribute) magnetic_fourier_label (httk.atomistic.io.cif.cif_tags.CifTags attribute) magnetic_q (httk.atomistic.models.structure.modulated.ModulatedStructure property) (httk.atomistic.ModulatedStructure property) magnetic_ssg_name (httk.atomistic.io.cif.cif_tags.CifTags attribute) magnetization (httk.atomistic.integrations.vasp.io.outcar.OutcarFile property) (httk.atomistic.integrations.vasp.io.OutcarFile property) main() (httk.workflow.Runner method) (httk.workflow.sdk.Runner method) (in module httk.core.cli) (in module httk.core.memguard) (in module httk.workflow.adapter_protocol) (in module httk.workflow.shell_bridge) main_branch (httk.core.docs.config.InternalDependency attribute) (httk.core.docs.config.VersioningConfig attribute) (httk.core.docs.InternalDependency attribute) (httk.core.docs.VersioningConfig attribute) MAINTENANCE_LOCK_FILE (in module httk.workflow.manifests) MAINTENANCE_LOCK_MAX_AGE_SECONDS (in module httk.workflow.manifests) MaintenanceLock (class in httk.workflow.manifests) major (httk.core.docs.semver.Version attribute) (httk.core.docs.Version attribute) (httk.serve.http.accept.MediaRange attribute) (httk.serve.http.MediaRange attribute) make_dir() (httk.workflow.protocol.TransactionBuilder method) make_job_key() (in module httk.workflow.protocol) manager_directory (httk.workflow.TaskManager property) manager_id (httk.workflow.protocol.StateFrame property) (httk.workflow.TaskManager attribute) manifest (httk.core.plugins.installed.InstalledPlugin attribute) (httk.core.plugins.InstalledPlugin attribute) (httk.core.project.manifests.ManifestVerification attribute) (httk.core.project.ManifestVerification attribute) (httk.workflow.manifests.ManifestVerification attribute) (httk.workflow.transfers.TransferCandidate attribute) manifest_exclusions() (httk.core.project.members.ProjectMemberHandler method) (httk.core.project.ProjectMemberHandler method) manifest_format (httk.core.project.manifests.ManifestVerification attribute) (httk.core.project.ManifestVerification attribute) (httk.workflow.manifests.ManifestVerification attribute) manifest_hash (httk.workflow.compat.v1.V1FinishedTask attribute) manifests (httk.store.backend.sql.bulk_deferred.DeferredFinalizer attribute) ManifestVerification (class in httk.core.project) (class in httk.core.project.manifests) (class in httk.workflow.manifests) maps (httk.store.backend.sql.bulk_deferred.DeferredFinalizer attribute) markdown_source() (in module httk.serve.web.widgets.extraction) MarkdownRenderer (class in httk.serve.web.renderers) (class in httk.serve.web.renderers.markdown) Marker (class in httk.workflow.protocol) marker (httk.workflow.executors.AttemptLaunch attribute) (httk.workflow.executors.OutcomeCommit attribute) (httk.workflow.scaffold.ScaffoldedJob attribute) (httk.workflow.ScaffoldedJob attribute) (httk.workflow.transfers.TransferCandidate attribute) marker_basename() (in module httk.workflow.protocol) marker_changed() (httk.workflow.executors.PathRunnerExecutor method) (httk.workflow.executors.RunnerExecutor method) marker_path() (httk.workflow.Workspace method) MarkerFault (class in httk.workflow.protocol) markers (httk.store.backend.sql.provenance_edges.StrongLinkFamily attribute) mass (httk.atomistic.models.species.api.SpeciesAPI property) (httk.atomistic.models.species.plain.PlainSpecies property) (httk.atomistic.models.species.PlainSpecies property) (httk.atomistic.models.species.record.RecordSpecies property) (httk.atomistic.models.species.Species attribute) (httk.atomistic.models.species.species.Species attribute) (httk.atomistic.models.species.SpeciesAPI property) (httk.atomistic.Species attribute) (httk.atomistic.storage.records.SpeciesConstituentRecord attribute) (httk.atomistic.storage.records.SpeciesRecord property) (httk.atomistic.storage.SpeciesConstituentRecord attribute) (httk.atomistic.storage.SpeciesRecord property) match_document() (in module httk.workflow.languages) matched_settings (httk.atomistic.models.structure.semantics.StructureSymmetry attribute) (httk.atomistic.models.structure.StructureSymmetry attribute) (httk.atomistic.StructureSymmetry attribute) matches (httk.workflow.languages.cwl.WorkflowLanguage attribute) (httk.workflow.languages.httk_v1.WorkflowLanguage attribute) (httk.workflow.languages.jobflow.WorkflowLanguage attribute) (httk.workflow.languages.pwd.WorkflowLanguage attribute) (httk.workflow.languages.WorkflowLanguage attribute) matches() (in module httk.workflow.languages.httk_v1) materialize() (httk.store.backend.sql.rows.RowHydrator method) materialize_many() (httk.store.backend.sql.rows.RowHydrator method) matrix (httk.atomistic.AffineOperation property) (httk.atomistic.SettingTransform property) (httk.atomistic.storage.records.SettingTransformRecord attribute) (httk.atomistic.storage.SettingTransformRecord attribute) (httk.atomistic.symmetry.affine_operation.AffineOperation property) (httk.atomistic.symmetry.AffineOperation property) (httk.atomistic.symmetry.setting_transform.SettingTransform property) (httk.atomistic.symmetry.SettingTransform property) max() (httk.core.vectors.fracvector.FracVectorBase method) MAX_CURSOR_CHARS (in module httk.serve.web.providers) (in module httk.serve.web.widgets.table) MAX_OPTIMADE_COLUMNS (in module httk.serve.web.widgets.optimade_table) MAX_OPTIMADE_FIELDS (in module httk.serve.web.widgets.optimade_fields) MAX_OPTIMADE_IDENTIFIER_CHARS (in module httk.serve.web.widgets.optimade_table) MAX_OPTIMADE_LABEL_CHARS (in module httk.serve.web.widgets.optimade_table) MAX_OPTIMADE_ORIGINS (in module httk.serve.web.widgets.optimade_table) MAX_OPTIMADE_SUMMARY_FIELDS (in module httk.serve.web.widgets.optimade_table) MAX_OPTIMADE_TEXT_CHARS (in module httk.serve.web.widgets.optimade_table) MAX_OPTIMADE_URL_CHARS (in module httk.serve.web.widgets.optimade_table) MAX_PAGE_SIZE (in module httk.serve.web.widgets.table) max_pages (httk.serve.optimade.client.OptimadeStore attribute) (httk.serve.optimade.OptimadeStore attribute) MAX_POST_BODY_BYTES (in module httk.serve.web.runtime.asgi) MAX_ROW_DATA_BYTES (in module httk.serve.web.providers) MAX_TABLE_HTML_BYTES (in module httk.serve.web.widgets.table) MAX_TABLE_POST_BODY_BYTES (in module httk.serve.web.runtime.asgi) MAX_TABLE_RESPONSE_BYTES (in module httk.serve.web.widgets.table) MAX_TOKEN_BYTES (in module httk.serve.web.widgets.table) MAX_TOKEN_PAYLOAD_BYTES (in module httk.serve.web.widgets.table) MAX_WIDGET_ASSET_BYTES (in module httk.serve.web.widgets) (in module httk.serve.web.widgets.core) maximal_subgroups() (in module httk.atomistic) (in module httk.atomistic.symmetry.subgroups) maximum (httk.atomistic.ObservableSummaryRecord attribute) (httk.atomistic.storage.ObservableSummaryRecord attribute) (httk.atomistic.storage.records.ObservableSummaryRecord attribute) maximum_activations (httk.workflow.ChildSpec attribute) (httk.workflow.protocol.JobSpec attribute) (httk.workflow.protocol.RetryPolicy attribute) (httk.workflow.sdk.ChildSpec attribute) maximum_attempts_per_activation (httk.workflow.ChildSpec attribute) (httk.workflow.protocol.JobSpec attribute) (httk.workflow.protocol.RetryPolicy attribute) (httk.workflow.sdk.ChildSpec attribute) MAXIMUM_PARAMETERS_BYTES (in module httk.workflow.languages.pwd) maximum_pass_markers (httk.workflow.TaskManager attribute) maximum_total_attempts (httk.workflow.ChildSpec attribute) (httk.workflow.protocol.JobSpec attribute) (httk.workflow.protocol.RetryPolicy attribute) (httk.workflow.sdk.ChildSpec attribute) maximum_workers (httk.workflow.TaskManager attribute) media_type (httk.core.entry_types.File attribute) (httk.core.File attribute) (httk.core.FileRecord attribute) (httk.core.files.FileRecord attribute) (httk.serve.dsp.catalogue.DspCatalogueRepresentation attribute) (httk.serve.dsp.config.DspDatasetPublication property) (httk.serve.dsp.DistributionProfile attribute) (httk.serve.dsp.DspCatalogueRepresentation attribute) (httk.serve.dsp.DspDatasetPublication property) (httk.serve.dsp.models.DistributionProfile attribute) (httk.serve.http.openapi.app.OpenAPIResponse attribute) (httk.serve.http.openapi.binding.OperationContext attribute) (httk.serve.http.openapi.OpenAPIResponse attribute) (httk.serve.http.openapi.OperationContext attribute) (httk.workflow.languages.cwl.FileRecord attribute) media_type_iri (httk.core.DatasetDistribution attribute) (httk.core.datasets.DatasetDistribution attribute) MediaRange (class in httk.serve.http) (class in httk.serve.http.accept) members (httk.workflow.protocol.StateFrame attribute) MEMBERS_FORMAT (in module httk.core.project.members) MEMBERS_FORMAT_VERSION (in module httk.core.project.members) members_path() (in module httk.core.project) (in module httk.core.project.members) MemoryExpression (class in httk.serve.optimade.backend.memory_store) MemoryField (class in httk.serve.optimade.backend.memory_store) MemoryResultSet (class in httk.serve.optimade.backend.memory_store) MemorySearcher (class in httk.serve.optimade.backend.memory_store) MemoryVariable (class in httk.serve.optimade.backend.memory_store) merge() (httk.workflow.JobState method) (in module httk.store.backend.sql.bulk_parallel) merge_collected_warnings() (in module httk.serve.optimade.endpoints.meta) message (httk.atomistic.composition.CompositionDiagnostic attribute) (httk.atomistic.models.formula.CompositionDiagnostic attribute) (httk.atomistic.models.formula.diagnostics.CompositionDiagnostic attribute) (httk.core.building.BuildError attribute) (httk.store.PropertyValidationError attribute) (httk.store.validation.PropertyValidationError attribute) (httk.workflow.hygiene.Finding attribute) (httk.workflow.protocol.Failure attribute) meta (httk.core.dataset_loader.DatasetLoader property) (httk.core.DatasetLoader property) metadata (httk.core.plugins.installed.InstalledPlugin attribute) (httk.core.plugins.InstalledPlugin attribute) (httk.serve.web.model.page.PageResult attribute) (httk.serve.web.model.PageResult attribute) (httk.serve.web.renderers.base.RenderResult attribute) (httk.serve.web.renderers.RenderResult attribute) metadata_backend (httk.store.backend.sql.layout.BackendFacts attribute) metadata_children (httk.store.store_common.SaveProjection attribute) METADATA_COLLECTION (in module httk.store.backend.mongo.mapping) metadata_content_ids (httk.store.store_common.SaveProjection attribute) metadata_definition (httk.core.property_definitions.PropertyDefinition property) (httk.core.PropertyDefinition property) METADATA_FILE (in module httk.workflow.adapters) metadata_path() (in module httk.workflow.adapters) metadata_rows (httk.store.store_common.SaveProjection attribute) metadata_table_for() (in module httk.store.backend.sql.layout) METADATA_TABLE_NAME (in module httk.store.backend.sql.layout) method (httk.serve.http.openapi.app.OpenAPIOperation attribute) (httk.serve.http.openapi.OpenAPIOperation attribute) (httk.serve.web.model.HttpRequestContext attribute) (httk.serve.web.model.request.HttpRequestContext attribute) metric() (httk.atomistic.Cell method) (httk.atomistic.models.cell.api.CellAPI method) (httk.atomistic.models.cell.Cell method) (httk.atomistic.models.cell.cell.Cell method) (httk.atomistic.models.cell.CellAPI method) (httk.atomistic.models.cell.numeric.NumericCell method) (httk.atomistic.models.cell.NumericCell method) metric_product() (httk.core.vectors.fracvector.FracVectorBase method) min() (httk.core.vectors.fracvector.FracVectorBase method) minimal_supergroups() (in module httk.atomistic) (in module httk.atomistic.symmetry.subgroups) MinimalDspCataloguePolicy (class in httk.serve.dsp) (class in httk.serve.dsp.catalogue) minimum (httk.atomistic.ObservableSummaryRecord attribute) (httk.atomistic.storage.ObservableSummaryRecord attribute) (httk.atomistic.storage.records.ObservableSummaryRecord attribute) minimum_level (httk.core.report.ReportFilter attribute) minor (httk.core.docs.semver.Version attribute) (httk.core.docs.Version attribute) (httk.serve.http.accept.MediaRange attribute) (httk.serve.http.MediaRange attribute) mismatch_advice() (httk.workflow.WorkCensus method) MISSING (in module httk.core) missing_collector (httk.workflow.CollectedJob attribute) (httk.workflow.collecting.CollectedJob attribute) missing_roles (httk.core.project.sealing.SealKeys attribute) (httk.core.project.SealKeys attribute) missing_signers (httk.core.project.sealing.SealVerification attribute) (httk.core.project.SealVerification attribute) MissingType (class in httk.core) mod_dim (httk.atomistic.models.structure.modulated.ModulatedStructure property) (httk.atomistic.ModulatedStructure property) mode (httk.atomistic.ChemicalComposition attribute) (httk.atomistic.composition.ChemicalComposition attribute) (httk.atomistic.storage.ChemicalCompositionRecord attribute) (httk.atomistic.storage.records.ChemicalCompositionRecord attribute) (httk.store.backend.mongo.searcher.StringMatchNode attribute) modf() (httk.core.vectors.fracvector.FracVectorBase method) (in module httk.core.vectors.vectormath) modification_timestamp (httk.core.entry_types.File attribute) (httk.core.File attribute) (httk.core.FileRecord attribute) (httk.core.files.FileRecord attribute) (httk.workflow.languages.cwl.FileRecord attribute) ModulatedStructure (class in httk.atomistic) (class in httk.atomistic.models.structure.modulated) module httk.analyse httk.analyse.crysviz httk.analyse.generic httk.analyse.generic.lower_hull httk.analyse.matsci httk.analyse.matsci.phase_diagrams httk.atomistic httk.atomistic.cif_structures httk.atomistic.cli httk.atomistic.composition httk.atomistic.data httk.atomistic.elements httk.atomistic.entries httk.atomistic.entries.charge httk.atomistic.entries.definitions httk.atomistic.entries.moments httk.atomistic.entries.precision httk.atomistic.entries.prototypes httk.atomistic.entries.structures httk.atomistic.entries.symmetry httk.atomistic.entries.trajectories httk.atomistic.integrations httk.atomistic.integrations.ase httk.atomistic.integrations.ase.models httk.atomistic.integrations.ase.view httk.atomistic.integrations.pymatgen httk.atomistic.integrations.pymatgen.models httk.atomistic.integrations.pymatgen.view httk.atomistic.integrations.vasp httk.atomistic.integrations.vasp.io httk.atomistic.integrations.vasp.io.oszicar httk.atomistic.integrations.vasp.io.outcar httk.atomistic.integrations.vasp.io.outputs httk.atomistic.integrations.vasp.io.poscar_reader httk.atomistic.integrations.vasp.io.poscar_writer httk.atomistic.integrations.vasp.io.potcar httk.atomistic.integrations.vasp.io.volumetric httk.atomistic.integrations.vasp.io.wavecar httk.atomistic.integrations.vasp.io.xdatcar httk.atomistic.integrations.vasp.structure httk.atomistic.integrations.vasp.trajectory httk.atomistic.io httk.atomistic.io.cif httk.atomistic.io.cif.cif_parser httk.atomistic.io.cif.cif_reader httk.atomistic.io.cif.cif_tags httk.atomistic.io.cif.cif_writer httk.atomistic.io.cif.mcif_parser httk.atomistic.io.cif.mcif_writer httk.atomistic.io.optimade_jsonl httk.atomistic.mcif_structures httk.atomistic.models httk.atomistic.models.cell httk.atomistic.models.cell.api httk.atomistic.models.cell.backend httk.atomistic.models.cell.cell httk.atomistic.models.cell.like httk.atomistic.models.cell.numeric httk.atomistic.models.cell.numeric_view httk.atomistic.models.cell.params httk.atomistic.models.cell.params_view httk.atomistic.models.cell.plain httk.atomistic.models.cell.plain_view httk.atomistic.models.cell.record httk.atomistic.models.cell.view httk.atomistic.models.cell.view_base httk.atomistic.models.formula httk.atomistic.models.formula.api httk.atomistic.models.formula.backend httk.atomistic.models.formula.composition httk.atomistic.models.formula.composition_view httk.atomistic.models.formula.diagnostics httk.atomistic.models.formula.formula httk.atomistic.models.formula.formula_string httk.atomistic.models.formula.formula_view httk.atomistic.models.formula.formulatype httk.atomistic.models.formula.formulatype_string httk.atomistic.models.formula.formulatype_view httk.atomistic.models.formula.like httk.atomistic.models.formula.notation httk.atomistic.models.formula.plain httk.atomistic.models.formula.record httk.atomistic.models.formula.structure httk.atomistic.models.formula.view_base httk.atomistic.models.formula.wyckoff httk.atomistic.models.moments httk.atomistic.models.moments.api httk.atomistic.models.moments.backend httk.atomistic.models.moments.cartesian httk.atomistic.models.moments.cartesian_view httk.atomistic.models.moments.collinear httk.atomistic.models.moments.crystalaxis httk.atomistic.models.moments.crystalaxis_view httk.atomistic.models.moments.like httk.atomistic.models.moments.view_base httk.atomistic.models.protostructure httk.atomistic.models.protostructure.api httk.atomistic.models.protostructure.backend httk.atomistic.models.protostructure.label httk.atomistic.models.protostructure.label_string httk.atomistic.models.protostructure.like httk.atomistic.models.protostructure.occupation httk.atomistic.models.protostructure.protostructure httk.atomistic.models.protostructure.recognized httk.atomistic.models.protostructure.view httk.atomistic.models.protostructure.view_base httk.atomistic.models.prototype httk.atomistic.models.prototype.api httk.atomistic.models.prototype.backend httk.atomistic.models.prototype.derived httk.atomistic.models.prototype.label httk.atomistic.models.prototype.label_string httk.atomistic.models.prototype.like httk.atomistic.models.prototype.notation httk.atomistic.models.prototype.occupation httk.atomistic.models.prototype.prototype httk.atomistic.models.prototype.recognized httk.atomistic.models.prototype.view httk.atomistic.models.prototype.view_base httk.atomistic.models.sites httk.atomistic.models.sites.api httk.atomistic.models.sites.backend httk.atomistic.models.sites.like httk.atomistic.models.sites.numeric httk.atomistic.models.sites.numeric_view httk.atomistic.models.sites.plain httk.atomistic.models.sites.plain_view httk.atomistic.models.sites.record httk.atomistic.models.sites.sites httk.atomistic.models.sites.view httk.atomistic.models.sites.view_base httk.atomistic.models.species httk.atomistic.models.species.api httk.atomistic.models.species.backend httk.atomistic.models.species.like httk.atomistic.models.species.plain httk.atomistic.models.species.plain_view httk.atomistic.models.species.record httk.atomistic.models.species.species httk.atomistic.models.species.view httk.atomistic.models.species.view_base httk.atomistic.models.structure httk.atomistic.models.structure.api httk.atomistic.models.structure.asu httk.atomistic.models.structure.asu_view httk.atomistic.models.structure.backend httk.atomistic.models.structure.comparison httk.atomistic.models.structure.datastream httk.atomistic.models.structure.like httk.atomistic.models.structure.modulated httk.atomistic.models.structure.numeric httk.atomistic.models.structure.numeric_view httk.atomistic.models.structure.optimade httk.atomistic.models.structure.plain httk.atomistic.models.structure.plain_view httk.atomistic.models.structure.record httk.atomistic.models.structure.semantics httk.atomistic.models.structure.symops httk.atomistic.models.structure.unitcell httk.atomistic.models.structure.unitcell_view httk.atomistic.models.structure.view httk.atomistic.models.structuretype httk.atomistic.models.structuretype.anonymize httk.atomistic.models.structuretype.anonymized httk.atomistic.models.structuretype.api httk.atomistic.models.structuretype.backend httk.atomistic.models.structuretype.fundamental httk.atomistic.models.structuretype.fundamental_view httk.atomistic.models.structuretype.like httk.atomistic.models.structuretype.structuretype httk.atomistic.models.structuretype.view httk.atomistic.models.structuretype.view_base httk.atomistic.models.trajectory httk.atomistic.models.trajectory.api httk.atomistic.models.trajectory.backend httk.atomistic.models.trajectory.jsonl httk.atomistic.models.trajectory.like httk.atomistic.models.trajectory.plain httk.atomistic.models.trajectory.record httk.atomistic.models.trajectory.trajectory httk.atomistic.models.trajectory.view httk.atomistic.reduction httk.atomistic.storage httk.atomistic.storage.records httk.atomistic.storage.stored_properties httk.atomistic.supercell httk.atomistic.symmetry httk.atomistic.symmetry.affine_operation httk.atomistic.symmetry.canonical httk.atomistic.symmetry.lift httk.atomistic.symmetry.magnetic httk.atomistic.symmetry.paths httk.atomistic.symmetry.primitive httk.atomistic.symmetry.recognition httk.atomistic.symmetry.setting_transform httk.atomistic.symmetry.spacegroup httk.atomistic.symmetry.standardization httk.atomistic.symmetry.subgroups httk.atomistic.symmetry.symop_key httk.atomistic.symmetry.wyckoff httk.atomistic.symmetry.xyz httk.atomistic.wavefunction httk.core httk.core.building httk.core.citations httk.core.cli httk.core.converting httk.core.crypto httk.core.data_records httk.core.dataset_loader httk.core.datasets httk.core.datastream httk.core.datastream.bytestream_api httk.core.datastream.bytestream_backend httk.core.datastream.bytestream_bytes httk.core.datastream.bytestream_bytes_view httk.core.datastream.bytestream_common httk.core.datastream.bytestream_file httk.core.datastream.bytestream_file_view httk.core.datastream.bytestream_filename httk.core.datastream.bytestream_filename_view httk.core.datastream.bytestream_like httk.core.datastream.bytestream_request httk.core.datastream.bytestream_request_view httk.core.datastream.bytestream_url httk.core.datastream.bytestream_url_view httk.core.datastream.bytestream_view httk.core.datastream.compression httk.core.datastream.datastream_url httk.core.datastream.network_policy httk.core.datastream.textstream_api httk.core.datastream.textstream_backend httk.core.datastream.textstream_common httk.core.datastream.textstream_file httk.core.datastream.textstream_file_view httk.core.datastream.textstream_filename httk.core.datastream.textstream_filename_view httk.core.datastream.textstream_like httk.core.datastream.textstream_request httk.core.datastream.textstream_request_view httk.core.datastream.textstream_string httk.core.datastream.textstream_string_view httk.core.datastream.textstream_url httk.core.datastream.textstream_url_view httk.core.datastream.textstream_view httk.core.digests httk.core.docs httk.core.docs.cli httk.core.docs.config httk.core.docs.ecosystem httk.core.docs.gitsite httk.core.docs.inventories httk.core.docs.lockfile httk.core.docs.manifests httk.core.docs.redirect httk.core.docs.release httk.core.docs.semver httk.core.docs.sitetree httk.core.docs.sphinx_ext httk.core.entry_ids httk.core.entry_provider httk.core.entry_types httk.core.exactmath httk.core.fetching httk.core.files httk.core.identity httk.core.identity_cli httk.core.loading httk.core.memguard httk.core.optimade httk.core.optimade.entries httk.core.optimade.filter httk.core.optimade.filter.parser httk.core.optimade.resources httk.core.plugins httk.core.plugins.cli httk.core.plugins.install httk.core.plugins.installed httk.core.plugins.manifest httk.core.precision httk.core.project httk.core.project.anchor httk.core.project.cli httk.core.project.export httk.core.project.manifests httk.core.project.members httk.core.project.sealing httk.core.project.templates httk.core.property_definitions httk.core.provenance httk.core.records httk.core.register httk.core.register.cli httk.core.register.entries httk.core.register.io httk.core.register.members httk.core.register.schemas httk.core.report httk.core.saving httk.core.schema_check httk.core.services httk.core.storage httk.core.storage.identity httk.core.storage.markers httk.core.storage.rational_text httk.core.storage.stored_properties httk.core.system httk.core.userdirs httk.core.validation httk.core.validation.iris httk.core.vectors httk.core.vectors.fracvector httk.core.vectors.leaf_codecs httk.core.vectors.mutablefracvector httk.core.vectors.numeric httk.core.vectors.scalar_like httk.core.vectors.surdvector httk.core.vectors.vector_api httk.core.vectors.vector_backend httk.core.vectors.vector_frac_view httk.core.vectors.vector_like httk.core.vectors.vector_native_backend httk.core.vectors.vector_native_view httk.core.vectors.vector_numpy_backend httk.core.vectors.vector_numpy_view httk.core.vectors.vector_surd_view httk.core.vectors.vector_view httk.core.vectors.vectormath httk.core.views httk.core.views.backend httk.core.views.coercion httk.core.views.unviewing httk.core.views.unwrapping httk.core.views.view httk.registry.cli.atomistic httk.registry.cli.core httk.registry.cli.job httk.registry.cli.project httk.registry.cli.serve httk.registry.cli.workflow httk.registry.cli.workspace httk.registry.entries.atomistic httk.registry.entries.core httk.registry.entries.store httk.registry.io.atomistic httk.registry.schemas.atomistic httk.registry.schemas.core httk.serve httk.serve.composition httk.serve.dsp httk.serve.dsp.api httk.serve.dsp.callbacks httk.serve.dsp.catalogue httk.serve.dsp.config httk.serve.dsp.models httk.serve.dsp.provider httk.serve.dsp.serializers httk.serve.dsp.state httk.serve.dsp.validation httk.serve.http httk.serve.http.accept httk.serve.http.api httk.serve.http.apptypes httk.serve.http.fields httk.serve.http.identifiers httk.serve.http.openapi httk.serve.http.openapi.app httk.serve.http.openapi.binding httk.serve.http.openapi.contract httk.serve.http.openapi.resources httk.serve.http.openapi.schemas httk.serve.http.webhook httk.serve.jsondata httk.serve.optimade httk.serve.optimade.api httk.serve.optimade.backend httk.serve.optimade.backend.adapter httk.serve.optimade.backend.execution httk.serve.optimade.backend.handlers httk.serve.optimade.backend.memory_store httk.serve.optimade.backend.partial httk.serve.optimade.backend.protocols httk.serve.optimade.backend.providers httk.serve.optimade.backend.stores httk.serve.optimade.backend.translation httk.serve.optimade.client httk.serve.optimade.endpoints httk.serve.optimade.endpoints.entries httk.serve.optimade.endpoints.error httk.serve.optimade.endpoints.info httk.serve.optimade.endpoints.meta httk.serve.optimade.endpoints.partial_data httk.serve.optimade.engine httk.serve.optimade.engine.processing httk.serve.optimade.engine.validate httk.serve.optimade.filter httk.serve.optimade.model httk.serve.optimade.model.config httk.serve.optimade.model.errors httk.serve.optimade.model.request httk.serve.optimade.model.results httk.serve.optimade.model.versions httk.serve.optimade.remote_query httk.serve.optimade.runtime httk.serve.optimade.runtime.asgi httk.serve.optimade.runtime.devserver httk.serve.optimade.schema httk.serve.optimade.schema.served httk.serve.optimade.schema.trajectories httk.serve.web httk.serve.web.api httk.serve.web.cli httk.serve.web.compat httk.serve.web.engine httk.serve.web.engine.discovery httk.serve.web.engine.site_engine httk.serve.web.functions httk.serve.web.functions.python_module httk.serve.web.model httk.serve.web.model.config httk.serve.web.model.errors httk.serve.web.model.page httk.serve.web.model.request httk.serve.web.providers httk.serve.web.publishing httk.serve.web.publishing.static httk.serve.web.renderers httk.serve.web.renderers.base httk.serve.web.renderers.html httk.serve.web.renderers.httkweb_compat httk.serve.web.renderers.markdown httk.serve.web.renderers.rst httk.serve.web.resources httk.serve.web.runtime httk.serve.web.runtime.asgi httk.serve.web.runtime.devserver httk.serve.web.templating httk.serve.web.templating.base httk.serve.web.templating.httk_compat httk.serve.web.templating.jinja2_engine httk.serve.web.widgets httk.serve.web.widgets.assets httk.serve.web.widgets.core httk.serve.web.widgets.extraction httk.serve.web.widgets.loader httk.serve.web.widgets.optimade_assets httk.serve.web.widgets.optimade_fields httk.serve.web.widgets.optimade_table httk.serve.web.widgets.table httk.store httk.store.backend httk.store.backend.clickhouse httk.store.backend.clickhouse.engine httk.store.backend.clickhouse.support httk.store.backend.codecs httk.store.backend.duckdb httk.store.backend.duckdb.engine httk.store.backend.duckdb.hooks httk.store.backend.mongo httk.store.backend.mongo.database httk.store.backend.mongo.documents httk.store.backend.mongo.entry_provider httk.store.backend.mongo.evaluator httk.store.backend.mongo.fsck httk.store.backend.mongo.leases httk.store.backend.mongo.mapping httk.store.backend.mongo.optimade httk.store.backend.mongo.results httk.store.backend.mongo.searcher httk.store.backend.mongo.store httk.store.backend.mongo.stored_properties httk.store.backend.postgresql httk.store.backend.postgresql.compiler httk.store.backend.postgresql.engine httk.store.backend.postgresql.hooks httk.store.backend.schema httk.store.backend.sql httk.store.backend.sql.bulk httk.store.backend.sql.bulk_deferred httk.store.backend.sql.bulk_parallel httk.store.backend.sql.engine httk.store.backend.sql.entry_provider httk.store.backend.sql.fsck httk.store.backend.sql.graph httk.store.backend.sql.layout httk.store.backend.sql.mapping httk.store.backend.sql.optimade httk.store.backend.sql.paging httk.store.backend.sql.provenance_edges httk.store.backend.sql.results httk.store.backend.sql.rows httk.store.backend.sql.searcher httk.store.backend.sql.store httk.store.backend.sql.stored_federation httk.store.backend.sql.stored_properties httk.store.backend.sqlite httk.store.backend.sqlite.engine httk.store.backend.sqlite.hooks httk.store.entry_providers httk.store.export httk.store.federated_store httk.store.id_ledger httk.store.query httk.store.query.optimade_filters httk.store.query.paging_tokens httk.store.query.portable httk.store.query.protocols httk.store.query.slicer httk.store.served_specs httk.store.storage_layout httk.store.store_common httk.store.store_timestamp httk.store.validation httk.workflow httk.workflow.adapter_protocol httk.workflow.adapters httk.workflow.collecting httk.workflow.compat httk.workflow.compat.v1 httk.workflow.configuration httk.workflow.errors httk.workflow.executors httk.workflow.hookapi httk.workflow.hygiene httk.workflow.languages httk.workflow.languages.cwl httk.workflow.languages.httk_v1 httk.workflow.languages.jobflow httk.workflow.languages.pwd httk.workflow.manifests httk.workflow.projects httk.workflow.protocol httk.workflow.provenance httk.workflow.runtime httk.workflow.runtime_utils httk.workflow.scaffold httk.workflow.sdk httk.workflow.shell_bridge httk.workflow.supervision httk.workflow.transfers httk.workflow.vasp

module_distribution() (in module httk.workflow.collecting) molecular (httk.atomistic.FundamentalDomainStructure property) (httk.atomistic.FundamentalDomainStructureRecord attribute) (httk.atomistic.models.structure.asu.FundamentalDomainStructure property) (httk.atomistic.models.structure.FundamentalDomainStructure property) (httk.atomistic.models.structure.optimade.OptimadeStructure property) (httk.atomistic.models.structure.OptimadeStructure property) (httk.atomistic.models.structure.record.RecordStructure property) (httk.atomistic.models.structure.RecordStructure property) (httk.atomistic.models.structure.symops.SymopsStructure property) (httk.atomistic.models.structure.unitcell.UnitcellStructure property) (httk.atomistic.models.structure.unitcell_view.UnitcellStructureView property) (httk.atomistic.models.structure.UnitcellStructure property) (httk.atomistic.models.structure.UnitcellStructureView property) (httk.atomistic.OptimadeStructure property) (httk.atomistic.storage.FundamentalDomainStructureRecord attribute) (httk.atomistic.storage.records.FundamentalDomainStructureRecord attribute) (httk.atomistic.storage.records.UnitcellStructureRecord attribute) (httk.atomistic.storage.UnitcellStructureRecord attribute) (httk.atomistic.SymopsStructure property) (httk.atomistic.UnitcellStructure property) (httk.atomistic.UnitcellStructureRecord attribute) (httk.atomistic.UnitcellStructureView property) moment (httk.atomistic.models.structure.asu.WyckoffSite attribute) (httk.atomistic.models.structure.WyckoffSite attribute) (httk.atomistic.storage.records.WyckoffSiteRecord attribute) (httk.atomistic.storage.WyckoffSiteRecord attribute) (httk.atomistic.WyckoffSite attribute) moment_component_esds (httk.atomistic.models.structure.symops.SymopsStructure property) (httk.atomistic.SymopsStructure property) moment_component_resolutions (httk.atomistic.models.structure.symops.SymopsStructure property) (httk.atomistic.SymopsStructure property) moment_definitions() (in module httk.atomistic.entries.moments) moment_kind (httk.atomistic.storage.records.WyckoffSiteRecord attribute) (httk.atomistic.storage.WyckoffSiteRecord attribute) moment_precision (httk.atomistic.storage.records.WyckoffSiteRecord attribute) (httk.atomistic.storage.WyckoffSiteRecord attribute) moment_properties() (in module httk.atomistic.entries.moments) MOMENT_PROPERTY_KEYS (in module httk.atomistic.entries.moments) moment_symmforms (httk.atomistic.models.structure.symops.SymopsStructure property) (httk.atomistic.SymopsStructure property) MongoDatabase (class in httk.store.backend.mongo.database) MongoExpression (class in httk.store.backend.mongo.searcher) MongoField (class in httk.store.backend.mongo.searcher) MongoLinkField (class in httk.store.backend.mongo.searcher) MongoLinks (class in httk.store.backend.mongo.searcher) MongoLinkSet (class in httk.store.backend.mongo.searcher) MongoPredicate (class in httk.store.backend.mongo.evaluator) MongoResultSet (class in httk.store.backend.mongo.results) MongoScope (class in httk.store.backend.mongo.evaluator) MongoSearcher (class in httk.store.backend.mongo.searcher) MongoStore (class in httk.store.backend.mongo.store) MongoStoredPropertyCandidateStream (class in httk.store.backend.mongo.stored_properties) MongoStoredPropertyConfigurationError MongoStoredPropertyPlan (class in httk.store.backend.mongo.stored_properties) MongoValue (class in httk.store.backend.mongo.evaluator) MongoVariable (class in httk.store.backend.mongo.searcher) monitors (httk.workflow.supervision.ProcessSupervisor attribute) month (httk.core.entry_types.Reference attribute) (httk.core.Reference attribute) more_data_available (httk.serve.optimade.backend.execution.StoreResults attribute) (httk.serve.optimade.backend.protocols.QueryResults property) (httk.serve.optimade.backend.QueryResults property) (httk.serve.optimade.backend.StoreResults attribute) (httk.serve.optimade.model.QueryResults property) (httk.serve.optimade.model.results.QueryResults property) (httk.store.backend.sql.stored_federation.StoredEntryPage attribute) mtime (httk.core.entry_types.File attribute) (httk.core.File attribute) (httk.core.FileRecord attribute) (httk.core.files.FileRecord attribute) (httk.workflow.languages.cwl.FileRecord attribute) mul() (httk.core.vectors.fracvector.FracVectorBase method) MultipleResultsError, [1], [2], [3], [4] multiplicities() (httk.atomistic.FundamentalDomainStructure method) (httk.atomistic.FundamentalDomainTemplate method) (httk.atomistic.models.protostructure.api.ProtostructureAPI method) (httk.atomistic.models.protostructure.ProtostructureAPI method) (httk.atomistic.models.prototype.api.PrototypeAPI method) (httk.atomistic.models.prototype.PrototypeAPI method) (httk.atomistic.models.structure.api.StructureAPI method) (httk.atomistic.models.structure.asu.FundamentalDomainStructure method) (httk.atomistic.models.structure.FundamentalDomainStructure method) (httk.atomistic.models.structure.StructureAPI method) (httk.atomistic.models.structuretype.fundamental.FundamentalDomainTemplate method) (httk.atomistic.models.structuretype.FundamentalDomainTemplate method) multiplicity (httk.atomistic.symmetry.wyckoff.WyckoffPosition property) (httk.atomistic.symmetry.WyckoffPosition property) (httk.atomistic.WyckoffPosition property) multiplier (httk.atomistic.ConventionalCellResult attribute) (httk.atomistic.PrimitiveCellResult attribute) (httk.atomistic.SubgroupRepresentationResult attribute) (httk.atomistic.supercell.SupercellResult attribute) (httk.atomistic.SupercellResult attribute) (httk.atomistic.symmetry.primitive.PrimitiveCellResult attribute) (httk.atomistic.symmetry.standardization.ConventionalCellResult attribute) (httk.atomistic.symmetry.subgroups.SubgroupRepresentationResult attribute) MutableFracVector (class in httk.core) (class in httk.core.vectors) (class in httk.core.vectors.mutablefracvector)

N

name (httk.atomistic.models.species.api.SpeciesAPI property) (httk.atomistic.models.species.plain.PlainSpecies property) (httk.atomistic.models.species.PlainSpecies property) (httk.atomistic.models.species.record.RecordSpecies property) (httk.atomistic.models.species.Species attribute) (httk.atomistic.models.species.species.Species attribute) (httk.atomistic.models.species.SpeciesAPI property) (httk.atomistic.ObservableSummaryRecord attribute) (httk.atomistic.Species attribute) (httk.atomistic.storage.ObservableSummaryRecord attribute) (httk.atomistic.storage.records.ObservableSummaryRecord attribute) (httk.atomistic.storage.records.SpeciesRecord attribute) (httk.atomistic.storage.SpeciesRecord attribute) (httk.core.BytestreamFileView property) (httk.core.CompressionCodec attribute) (httk.core.data_records.DataRecord attribute) (httk.core.DataRecord attribute) (httk.core.datastream.bytestream_api.BytestreamAPI property) (httk.core.datastream.bytestream_bytes.BytestreamBytes property) (httk.core.datastream.bytestream_file.BytestreamFile property) (httk.core.datastream.bytestream_file_view.BytestreamFileView property) (httk.core.datastream.bytestream_filename.BytestreamFilename property) (httk.core.datastream.bytestream_request.BytestreamRequest property) (httk.core.datastream.bytestream_url.BytestreamURL property) (httk.core.datastream.BytestreamBytes property) (httk.core.datastream.BytestreamFile property) (httk.core.datastream.BytestreamFilename property) (httk.core.datastream.BytestreamFileView property) (httk.core.datastream.BytestreamRequest property) (httk.core.datastream.BytestreamURL property) (httk.core.datastream.compression.CompressionCodec attribute) (httk.core.datastream.CompressionCodec attribute) (httk.core.datastream.textstream_api.TextstreamAPI property) (httk.core.datastream.textstream_file.TextstreamFile property) (httk.core.datastream.textstream_file_view.TextstreamFileView property) (httk.core.datastream.textstream_filename.TextstreamFilename property) (httk.core.datastream.textstream_request.TextstreamRequest property) (httk.core.datastream.textstream_string.TextstreamString property) (httk.core.datastream.textstream_url.TextstreamURL property) (httk.core.datastream.TextstreamFile property) (httk.core.datastream.TextstreamFilename property) (httk.core.datastream.TextstreamFileView property) (httk.core.datastream.TextstreamRequest property) (httk.core.datastream.TextstreamString property) (httk.core.datastream.TextstreamURL property) (httk.core.entry_types.File attribute) (httk.core.EntryTypeDefinition property) (httk.core.File attribute) (httk.core.identity.OperatorIdentity attribute) (httk.core.plugins.installed.InstalledPlugin attribute) (httk.core.plugins.installed.PluginManifest attribute) (httk.core.plugins.installed.PluginProgram attribute) (httk.core.plugins.InstalledPlugin attribute) (httk.core.plugins.manifest.PluginManifest attribute) (httk.core.plugins.manifest.PluginProgram attribute) (httk.core.plugins.PluginManifest attribute) (httk.core.plugins.PluginProgram attribute) (httk.core.project.members.ProjectMember attribute) (httk.core.project.ProjectMember attribute) (httk.core.project.templates.TemplateParameter attribute) (httk.core.property_definitions.EntryTypeDefinition property) (httk.core.property_definitions.PropertyDefinition property) (httk.core.PropertyDefinition property) (httk.core.register.cli.CLICommand attribute) (httk.core.register.CLICommand attribute) (httk.core.register.entries.OptimadeEntryBinding attribute) (httk.core.register.OptimadeEntryBinding attribute) (httk.core.storage.markers.WeakLink attribute) (httk.core.storage.WeakLink attribute) (httk.core.TextstreamFileView property) (httk.core.vectors.leaf_codecs.LeafCodec attribute) (httk.core.vectors.LeafCodec attribute) (httk.core.WeakLink attribute) (httk.serve.http.openapi.app.OpenAPIParameter attribute) (httk.serve.http.openapi.OpenAPIParameter attribute) (httk.serve.optimade.backend.memory_store.MemoryField attribute) (httk.serve.optimade.backend.partial.PartialDimension attribute) (httk.serve.optimade.backend.PartialDimension attribute) (httk.serve.optimade.client.RemoteEntryType attribute) (httk.serve.optimade.remote_query.RemoteResultColumn attribute) (httk.serve.optimade.RemoteEntryType attribute) (httk.serve.optimade.RemoteResultColumn attribute) (httk.serve.web.renderers.base.WidgetPlacement attribute) (httk.serve.web.widgets.core.FunctionWidget attribute) (httk.serve.web.widgets.core.Widget property) (httk.serve.web.widgets.FunctionWidget attribute) (httk.serve.web.widgets.table.TableWidget attribute) (httk.serve.web.widgets.Widget property) (httk.store.backend.codecs.ValueCodec attribute) (httk.store.backend.mongo.mapping.IndexSpec attribute) (httk.store.backend.schema.ColumnSpec attribute) (httk.store.backend.schema.LinkSpec attribute) (httk.store.backend.sql.layout.EntryFamilyLayout attribute) (httk.store.backend.sql.results.ResultColumn attribute) (httk.store.backend.sql.stored_federation.StoredEntrySource attribute) (httk.store.EntryFamilyDeclaration attribute) (httk.store.EntryRecordDeclaration attribute) (httk.store.federated_store.FederatedResultColumn attribute) (httk.store.federated_store.FederatedTarget attribute) (httk.store.FederatedTarget attribute) (httk.store.PageOrder attribute) (httk.store.PropertyValidationError attribute) (httk.store.query.PageOrder attribute) (httk.store.query.protocols.PageOrder attribute) (httk.store.storage_layout.EntryFamilyDeclaration attribute) (httk.store.storage_layout.EntryFamilyLayout attribute) (httk.store.storage_layout.EntryRecordDeclaration attribute) (httk.store.validation.PropertyValidationError attribute) (httk.workflow.adapters.RemoteTarget attribute) (httk.workflow.ChildSpec attribute) (httk.workflow.configuration.ConfigKey attribute) (httk.workflow.executors.PathRunnerExecutor attribute) (httk.workflow.executors.RunnerExecutor attribute) (httk.workflow.languages.cwl.WorkflowLanguage attribute) (httk.workflow.languages.httk_v1.WorkflowLanguage attribute) (httk.workflow.languages.jobflow.WorkflowLanguage attribute) (httk.workflow.languages.pwd.WorkflowLanguage attribute) (httk.workflow.languages.WorkflowLanguage attribute) (httk.workflow.protocol.JobDefinition attribute) (httk.workflow.protocol.JobSpec attribute) (httk.workflow.scaffold.JobItem attribute) (httk.workflow.sdk.ChildSpec attribute) (httk.workflow.supervision.FollowSource attribute) (httk.workflow.vasp.RemedyPolicy attribute) names (httk.serve.optimade.backend.protocols.SearchResult attribute) (httk.serve.optimade.backend.SearchResult attribute) (httk.serve.optimade.remote_query.RemoteResultSet attribute) (httk.serve.optimade.RemoteResultSet attribute) (httk.store.backend.mongo.results.MongoResultSet attribute) (httk.store.backend.sql.ResultRow property) (httk.store.backend.sql.results.ResultRow property) (httk.store.backend.sql.results.SqlResultSet property) (httk.store.federated_store.FederatedResultSet property) (httk.store.FederatedResultSet property) (httk.store.query.protocols.ResultRow property) (httk.store.query.protocols.ResultRowLike property) (httk.store.query.protocols.SearchResult attribute) (httk.store.query.ResultRow property) (httk.store.query.ResultRowLike property) (httk.store.query.SearchResult attribute) (httk.store.ResultRow property) (httk.store.ResultRowLike property) (httk.store.SearchResult attribute) nargmax() (httk.core.vectors.fracvector.FracVectorBase method) nargmin() (httk.core.vectors.fracvector.FracVectorBase method) native (httk.core.vectors.vector_native_backend.VectorNativeBackend property) (httk.core.vectors.VectorNativeBackend property) nattached (httk.atomistic.models.species.api.SpeciesAPI property) (httk.atomistic.models.species.plain.PlainSpecies property) (httk.atomistic.models.species.PlainSpecies property) (httk.atomistic.models.species.record.RecordSpecies property) (httk.atomistic.models.species.Species attribute) (httk.atomistic.models.species.species.Species attribute) (httk.atomistic.models.species.SpeciesAPI property) (httk.atomistic.Species attribute) (httk.atomistic.storage.records.SpeciesRecord attribute) (httk.atomistic.storage.SpeciesRecord attribute) nbands (httk.atomistic.integrations.vasp.io.wavecar.WavecarFile attribute) (httk.atomistic.PlaneWaveFunctions property) (httk.atomistic.wavefunction.PlaneWaveFunctions property) nearest_parameters() (httk.atomistic.symmetry.wyckoff.WyckoffBranch method) (httk.atomistic.symmetry.WyckoffBranch method) nearest_parameters_float() (httk.atomistic.symmetry.wyckoff.WyckoffBranch method) (httk.atomistic.symmetry.WyckoffBranch method) negotiation() (httk.serve.dsp.state.DspState method) negotiation_event() (httk.serve.dsp.DspProvider method) (httk.serve.dsp.provider.DspProvider method) NegotiationRecord (class in httk.serve.dsp) (class in httk.serve.dsp.models) nelements (httk.atomistic.Composition property) (httk.atomistic.models.formula.Composition property) (httk.atomistic.models.formula.composition.Composition property) (httk.atomistic.models.structure.api.StructureAPI property) (httk.atomistic.models.structure.optimade.OptimadeStructure property) (httk.atomistic.models.structure.OptimadeStructure property) (httk.atomistic.models.structure.semantics.StructureSemanticsMixin property) (httk.atomistic.models.structure.StructureAPI property) (httk.atomistic.models.structure.StructureSemanticsMixin property) (httk.atomistic.OptimadeStructure property) nested_inmap (httk.core.MutableFracVector attribute) (httk.core.vectors.MutableFracVector attribute) (httk.core.vectors.mutablefracvector.MutableFracVector attribute) nested_map (httk.core.MutableFracVector attribute) (httk.core.vectors.fracvector.FracVectorBase attribute) (httk.core.vectors.MutableFracVector attribute) (httk.core.vectors.mutablefracvector.MutableFracVector attribute) nested_map_fractions (httk.core.MutableFracVector attribute) (httk.core.vectors.fracvector.FracVectorBase attribute) (httk.core.vectors.MutableFracVector attribute) (httk.core.vectors.mutablefracvector.MutableFracVector attribute) NETWORK_SCHEMES (in module httk.core.datastream.network_policy) new_job() (in module httk.workflow) (in module httk.workflow.scaffold) new_jobs() (in module httk.workflow) (in module httk.workflow.scaffold) newlines (httk.core.datastream.textstream_file_view.TextstreamFileView property) (httk.core.datastream.TextstreamFileView property) (httk.core.TextstreamFileView property) next (httk.store.query.protocols.ResultPage attribute) (httk.store.query.ResultPage attribute) (httk.store.ResultPage attribute) next_cursor (httk.serve.web.providers.TablePage attribute) (httk.serve.web.TablePage attribute) next_step (httk.workflow.protocol.StateFrame property) nframes (httk.atomistic.integrations.vasp.io.outcar.OutcarFile property) (httk.atomistic.integrations.vasp.io.OutcarFile property) (httk.atomistic.integrations.vasp.io.xdatcar.XdatcarFile property) (httk.atomistic.integrations.vasp.io.XdatcarFile property) (httk.atomistic.integrations.vasp.trajectory.VASPTrajectory property) (httk.atomistic.integrations.vasp.VASPTrajectory property) (httk.atomistic.integrations.VASPTrajectory property) (httk.atomistic.io.optimade_jsonl.TrajectoryJsonlFile property) (httk.atomistic.JsonlTrajectory property) (httk.atomistic.models.trajectory.api.TrajectoryAPI property) (httk.atomistic.models.trajectory.jsonl.JsonlTrajectory property) (httk.atomistic.models.trajectory.JsonlTrajectory property) (httk.atomistic.models.trajectory.plain.PlainTrajectory property) (httk.atomistic.models.trajectory.PlainTrajectory property) (httk.atomistic.models.trajectory.record.RecordTrajectory property) (httk.atomistic.models.trajectory.Trajectory property) (httk.atomistic.models.trajectory.trajectory.Trajectory property) (httk.atomistic.models.trajectory.TrajectoryAPI property) (httk.atomistic.models.trajectory.TrajectoryView property) (httk.atomistic.models.trajectory.view.TrajectoryView property) (httk.atomistic.PlainTrajectory property) (httk.atomistic.storage.records.TrajectoryRecord attribute) (httk.atomistic.storage.TrajectoryRecord attribute) (httk.atomistic.Trajectory property) (httk.atomistic.TrajectoryRecord attribute) (httk.atomistic.TrajectoryView property) (httk.atomistic.VASPTrajectory property)

niggli_reduce() (in module httk.atomistic) (in module httk.atomistic.reduction) niggli_reduced() (in module httk.atomistic) (in module httk.atomistic.reduction) NiggliReducedStructureResult (class in httk.atomistic) (class in httk.atomistic.reduction) NiggliReductionResult (class in httk.atomistic) (class in httk.atomistic.reduction) nkpts (httk.atomistic.integrations.vasp.io.wavecar.WavecarFile attribute) (httk.atomistic.PlaneWaveFunctions property) (httk.atomistic.wavefunction.PlaneWaveFunctions property) node (httk.store.backend.mongo.searcher.MongoExpression attribute) nodes (httk.workflow.languages.pwd.PwdDocument attribute) nom (httk.core.vectors.fracvector.FracVectorBase property) noms (httk.core.MutableFracVector attribute) (httk.core.vectors.fracvector.FracVectorBase attribute) (httk.core.vectors.MutableFracVector attribute) (httk.core.vectors.mutablefracvector.MutableFracVector attribute) (httk.core.vectors.vector_frac_view.VectorFracView property) (httk.core.vectors.VectorFracView property) Noms (in module httk.core.vectors.fracvector) noncollinear_magnetization (httk.atomistic.integrations.vasp.io.outcar.OutcarFile property) (httk.atomistic.integrations.vasp.io.OutcarFile property) NoResultError, [1], [2], [3], [4] normalization_diagnostic (httk.atomistic.Assembly property) (httk.atomistic.composition.Assembly property) (httk.atomistic.models.species.Species property) (httk.atomistic.models.species.species.Species property) (httk.atomistic.Species property) normalization_status (httk.atomistic.Assembly property) (httk.atomistic.ChemicalFormulaView property) (httk.atomistic.Composition attribute) (httk.atomistic.composition.Assembly property) (httk.atomistic.CompositionView property) (httk.atomistic.FormulatypeView property) (httk.atomistic.models.formula.api.ChemicalFormulaAPI property) (httk.atomistic.models.formula.ChemicalFormulaAPI property) (httk.atomistic.models.formula.ChemicalFormulaView property) (httk.atomistic.models.formula.Composition attribute) (httk.atomistic.models.formula.composition.Composition attribute) (httk.atomistic.models.formula.composition_view.CompositionView property) (httk.atomistic.models.formula.CompositionView property) (httk.atomistic.models.formula.formula_view.ChemicalFormulaView property) (httk.atomistic.models.formula.formulatype_view.FormulatypeView property) (httk.atomistic.models.formula.FormulatypeView property) (httk.atomistic.models.formula.plain.PlainComposition property) (httk.atomistic.models.formula.record.RecordComposition property) (httk.atomistic.models.formula.structure.StructureComposition property) (httk.atomistic.models.formula.wyckoff.WyckoffComposition property) (httk.atomistic.models.species.Species property) (httk.atomistic.models.species.species.Species property) (httk.atomistic.Species property) normalize() (httk.core.vectors.fracvector.FracVectorBase method) normalize_chirality() (in module httk.atomistic) normalize_entry_declaration() (in module httk.store.backend.sql.layout) normalize_entry_families() (in module httk.store.backend.sql.layout) (in module httk.store.storage_layout) normalize_entry_records() (in module httk.store.backend.sql.layout) (in module httk.store.storage_layout) normalize_half() (httk.core.vectors.fracvector.FracVectorBase method) normalize_handedness (httk.workflow.vasp.VaspPreparationOptions attribute) normalize_parameter_name() (in module httk.serve.http.openapi) (in module httk.serve.http.openapi.binding) normalize_placement() (in module httk.workflow.protocol) normalize_poscar_handedness() (in module httk.workflow.vasp) normalize_route() (in module httk.serve.web.engine.discovery) normalize_trusted_keys() (in module httk.core.project) (in module httk.core.project.sealing) normalized (httk.atomistic.Assembly property) (httk.atomistic.ChemicalFormulaView property) (httk.atomistic.Composition attribute) (httk.atomistic.composition.Assembly property) (httk.atomistic.CompositionView property) (httk.atomistic.FormulatypeView property) (httk.atomistic.models.formula.api.ChemicalFormulaAPI property) (httk.atomistic.models.formula.ChemicalFormulaAPI property) (httk.atomistic.models.formula.ChemicalFormulaView property) (httk.atomistic.models.formula.Composition attribute) (httk.atomistic.models.formula.composition.Composition attribute) (httk.atomistic.models.formula.composition_view.CompositionView property) (httk.atomistic.models.formula.CompositionView property) (httk.atomistic.models.formula.formula_view.ChemicalFormulaView property) (httk.atomistic.models.formula.formulatype_view.FormulatypeView property) (httk.atomistic.models.formula.FormulatypeView property) (httk.atomistic.models.formula.plain.PlainComposition property) (httk.atomistic.models.formula.record.RecordComposition property) (httk.atomistic.models.formula.structure.StructureComposition property) (httk.atomistic.models.formula.wyckoff.WyckoffComposition property) (httk.atomistic.models.species.Species property) (httk.atomistic.models.species.species.Species property) (httk.atomistic.Species property) normalized_composition (httk.atomistic.FundamentalDomainStructureRecord attribute) (httk.atomistic.storage.FundamentalDomainStructureRecord attribute) (httk.atomistic.storage.records.FundamentalDomainStructureRecord attribute) (httk.atomistic.storage.records.UnitcellStructureRecord attribute) (httk.atomistic.storage.UnitcellStructureRecord attribute) (httk.atomistic.UnitcellStructureRecord attribute) NormalizedCompositionAmountRecord (class in httk.atomistic.storage) (class in httk.atomistic.storage.records) NormalizedCompositionRecord (class in httk.atomistic.storage) (class in httk.atomistic.storage.records) not_() (httk.core.storage.QueryContext method) (httk.core.storage.stored_properties.QueryContext method) note (httk.core.entry_types.Reference attribute) (httk.core.Reference attribute) NotFoundError, [1] NotIdleError notna() (httk.store.query.slicer.SlicerColumn method) (httk.store.query.SlicerColumn method) NotNode (class in httk.store.backend.mongo.searcher) nperiodic_dimensions (httk.atomistic.Cell property) (httk.atomistic.FundamentalDomainTemplate property) (httk.atomistic.models.cell.Cell property) (httk.atomistic.models.cell.cell.Cell property) (httk.atomistic.models.cell.numeric.NumericCell property) (httk.atomistic.models.cell.NumericCell property) (httk.atomistic.models.structure.api.StructureAPI property) (httk.atomistic.models.structure.numeric_view.NumericUnitcellStructureView property) (httk.atomistic.models.structure.NumericUnitcellStructureView property) (httk.atomistic.models.structure.optimade.OptimadeStructure property) (httk.atomistic.models.structure.OptimadeStructure property) (httk.atomistic.models.structure.StructureAPI property) (httk.atomistic.models.structuretype.fundamental.FundamentalDomainTemplate property) (httk.atomistic.models.structuretype.FundamentalDomainTemplate property) (httk.atomistic.models.structuretype.Structuretype property) (httk.atomistic.models.structuretype.structuretype.Structuretype property) (httk.atomistic.models.structuretype.view.StructuretypeView property) (httk.atomistic.NumericUnitcellStructureView property) (httk.atomistic.OptimadeStructure property) (httk.atomistic.Structuretype property) (httk.atomistic.StructuretypeView property) nplanewaves (httk.atomistic.integrations.vasp.io.wavecar.WavecarFile attribute) (httk.atomistic.PlaneWaveFunctions property) (httk.atomistic.wavefunction.PlaneWaveFunctions property) ns_operand_to_store_units() (in module httk.store.store_timestamp) nsites (httk.atomistic.FundamentalDomainStructure property) (httk.atomistic.FundamentalDomainTemplate property) (httk.atomistic.models.structure.api.StructureAPI property) (httk.atomistic.models.structure.asu.FundamentalDomainStructure property) (httk.atomistic.models.structure.FundamentalDomainStructure property) (httk.atomistic.models.structure.optimade.OptimadeStructure property) (httk.atomistic.models.structure.OptimadeStructure property) (httk.atomistic.models.structure.semantics.StructureSemanticsMixin property) (httk.atomistic.models.structure.StructureAPI property) (httk.atomistic.models.structure.StructureSemanticsMixin property) (httk.atomistic.models.structuretype.fundamental.FundamentalDomainTemplate property) (httk.atomistic.models.structuretype.FundamentalDomainTemplate property) (httk.atomistic.models.structuretype.Structuretype property) (httk.atomistic.models.structuretype.structuretype.Structuretype property) (httk.atomistic.models.structuretype.view.StructuretypeView property) (httk.atomistic.OptimadeStructure property) (httk.atomistic.Structuretype property) (httk.atomistic.StructuretypeView property) nsites_conventional (httk.atomistic.FundamentalDomainTemplate property) (httk.atomistic.models.protostructure.api.ProtostructureAPI property) (httk.atomistic.models.protostructure.ProtostructureAPI property) (httk.atomistic.models.prototype.api.PrototypeAPI property) (httk.atomistic.models.prototype.PrototypeAPI property) (httk.atomistic.models.structuretype.fundamental.FundamentalDomainTemplate property) (httk.atomistic.models.structuretype.FundamentalDomainTemplate property) nspins (httk.atomistic.integrations.vasp.io.wavecar.WavecarFile attribute) (httk.atomistic.PlaneWaveFunctions property) (httk.atomistic.wavefunction.PlaneWaveFunctions property) null() (httk.core.storage.QueryContext method) (httk.core.storage.stored_properties.QueryContext method) null_order_rank() (in module httk.store.backend.clickhouse.support) null_safe_difference() (in module httk.store.backend.clickhouse.support) nullable (httk.core.property_definitions.PropertyDefinition property) (httk.core.PropertyDefinition property) (httk.store.backend.schema.ColumnSpec attribute) nulls (httk.store.PageOrder attribute) (httk.store.query.PageOrder attribute) (httk.store.query.protocols.PageOrder attribute) num_sites (httk.atomistic.models.sites.api.SitesAPI property) (httk.atomistic.models.sites.SitesAPI property) number (httk.core.entry_types.Reference attribute) (httk.core.Reference attribute) number_handler() (in module httk.serve.optimade.backend.handlers) (in module httk.store.query.optimade_filters) numeric() (httk.atomistic.Cell method) (httk.atomistic.models.cell.Cell method) (httk.atomistic.models.cell.cell.Cell method) (httk.atomistic.models.sites.Sites method) (httk.atomistic.models.sites.sites.Sites method) (httk.atomistic.models.structure.unitcell.UnitcellStructure method) (httk.atomistic.models.structure.UnitcellStructure method) (httk.atomistic.Sites method) (httk.atomistic.UnitcellStructure method) NumericCell (class in httk.atomistic.models.cell) (class in httk.atomistic.models.cell.numeric) NumericSites (class in httk.atomistic.models.sites) (class in httk.atomistic.models.sites.numeric) NumericUnitcellStructure (class in httk.atomistic.models.structure) (class in httk.atomistic.models.structure.numeric) NumericUnitcellStructureView (class in httk.atomistic) (class in httk.atomistic.models.structure) (class in httk.atomistic.models.structure.numeric_view) NumericVector (in module httk.core) (in module httk.core.vectors) (in module httk.core.vectors.numeric) numpy_available() (in module httk.core) (in module httk.core.vectors) (in module httk.core.vectors.numeric)

O

objects (httk.store.backend.sql.bulk_deferred.DeferredFinalizer attribute) observable() (httk.atomistic.integrations.vasp.trajectory.VASPTrajectory method) (httk.atomistic.integrations.vasp.VASPTrajectory method) (httk.atomistic.integrations.VASPTrajectory method) (httk.atomistic.JsonlTrajectory method) (httk.atomistic.models.trajectory.api.TrajectoryAPI method) (httk.atomistic.models.trajectory.jsonl.JsonlTrajectory method) (httk.atomistic.models.trajectory.JsonlTrajectory method) (httk.atomistic.models.trajectory.plain.PlainTrajectory method) (httk.atomistic.models.trajectory.PlainTrajectory method) (httk.atomistic.models.trajectory.record.RecordTrajectory method) (httk.atomistic.models.trajectory.Trajectory method) (httk.atomistic.models.trajectory.trajectory.Trajectory method) (httk.atomistic.models.trajectory.TrajectoryAPI method) (httk.atomistic.models.trajectory.TrajectoryView method) (httk.atomistic.models.trajectory.view.TrajectoryView method) (httk.atomistic.PlainTrajectory method) (httk.atomistic.Trajectory method) (httk.atomistic.TrajectoryView method) (httk.atomistic.VASPTrajectory method) observable_names (httk.atomistic.integrations.vasp.trajectory.VASPTrajectory property) (httk.atomistic.integrations.vasp.VASPTrajectory property) (httk.atomistic.integrations.VASPTrajectory property) (httk.atomistic.JsonlTrajectory property) (httk.atomistic.models.trajectory.api.TrajectoryAPI property) (httk.atomistic.models.trajectory.jsonl.JsonlTrajectory property) (httk.atomistic.models.trajectory.JsonlTrajectory property) (httk.atomistic.models.trajectory.plain.PlainTrajectory property) (httk.atomistic.models.trajectory.PlainTrajectory property) (httk.atomistic.models.trajectory.record.RecordTrajectory property) (httk.atomistic.models.trajectory.Trajectory property) (httk.atomistic.models.trajectory.trajectory.Trajectory property) (httk.atomistic.models.trajectory.TrajectoryAPI property) (httk.atomistic.models.trajectory.TrajectoryView property) (httk.atomistic.models.trajectory.view.TrajectoryView property) (httk.atomistic.PlainTrajectory property) (httk.atomistic.Trajectory property) (httk.atomistic.TrajectoryView property) (httk.atomistic.VASPTrajectory property) observable_summaries (httk.atomistic.models.trajectory.record.RecordTrajectory property) (httk.atomistic.models.trajectory.TrajectoryView property) (httk.atomistic.models.trajectory.view.TrajectoryView property) (httk.atomistic.storage.records.TrajectoryRecord attribute) (httk.atomistic.storage.TrajectoryRecord attribute) (httk.atomistic.TrajectoryRecord attribute) (httk.atomistic.TrajectoryView property) ObservableSummaryRecord (class in httk.atomistic) (class in httk.atomistic.storage) (class in httk.atomistic.storage.records) occupancies (httk.atomistic.io.cif.cif_parser.AsuCell attribute) occupancies_exact (httk.atomistic.io.cif.cif_parser.AsuCell attribute) occupancy_precisions (httk.atomistic.io.cif.cif_parser.AsuCell attribute) occupations (httk.atomistic.integrations.vasp.io.wavecar.WavecarFile attribute) (httk.atomistic.models.protostructure.api.ProtostructureAPI property) (httk.atomistic.models.protostructure.label.ProtostructureLabel property) (httk.atomistic.models.protostructure.label_string.ProtostructureLabelString property) (httk.atomistic.models.protostructure.Protostructure property) (httk.atomistic.models.protostructure.protostructure.Protostructure property) (httk.atomistic.models.protostructure.ProtostructureAPI property) (httk.atomistic.models.protostructure.recognized.RecognizedProtostructure property) (httk.atomistic.models.prototype.api.PrototypeAPI property) (httk.atomistic.models.prototype.derived.DerivedPrototype property) (httk.atomistic.models.prototype.label.PrototypeLabel property) (httk.atomistic.models.prototype.label_string.PrototypeLabelString property) (httk.atomistic.models.prototype.Prototype property) (httk.atomistic.models.prototype.prototype.Prototype property) (httk.atomistic.models.prototype.PrototypeAPI property) (httk.atomistic.models.prototype.recognized.RecognizedPrototype property) (httk.atomistic.PlaneWaveFunctions property) (httk.atomistic.Protostructure property) (httk.atomistic.ProtostructureLabel property) (httk.atomistic.ProtostructureRecord attribute) (httk.atomistic.Prototype property) (httk.atomistic.PrototypeLabel property) (httk.atomistic.PrototypeRecord attribute) (httk.atomistic.storage.ProtostructureRecord attribute) (httk.atomistic.storage.PrototypeRecord attribute) (httk.atomistic.storage.records.ProtostructureRecord attribute) (httk.atomistic.storage.records.PrototypeRecord attribute) (httk.atomistic.wavefunction.PlaneWaveFunctions property) offer (httk.serve.dsp.DatasetProfile attribute) (httk.serve.dsp.models.DatasetProfile attribute) offer_id (httk.serve.dsp.config.DspDatasetPublication attribute) (httk.serve.dsp.DspDatasetPublication attribute) offer_policy() (in module httk.serve.dsp.serializers) offer_transfers() (in module httk.workflow.transfers) OfferProfile (class in httk.serve.dsp) (class in httk.serve.dsp.models) offset (httk.serve.optimade.backend.execution.StoreResults attribute) (httk.serve.optimade.backend.memory_store.MemorySearcher attribute) (httk.serve.optimade.backend.protocols.Searcher attribute) (httk.serve.optimade.backend.Searcher attribute) (httk.serve.optimade.backend.StoreResults attribute) (httk.serve.optimade.remote_query.RemoteSearcher attribute) (httk.serve.optimade.RemoteSearcher attribute) (httk.store.backend.mongo.searcher.MongoSearcher attribute) (httk.store.backend.sql.searcher.SqlSearcher attribute) (httk.store.federated_store.FederatedSearcher attribute) (httk.store.FederatedSearcher attribute) (httk.store.query.protocols.Searcher attribute) (httk.store.query.Searcher attribute) (httk.store.Searcher attribute) (httk.workflow.protocol.JournalFrame attribute) ok (httk.core.project.sealing.SealReport attribute) (httk.core.project.SealReport attribute) (httk.workflow.protocol.RecordVerification property) one() (httk.core.SurdVector class method) (httk.core.vectors.SurdVector class method) (httk.core.vectors.surdvector.SurdVector class method) (httk.serve.optimade.backend.memory_store.MemoryResultSet method) (httk.serve.optimade.remote_query.RemoteResultSet method) (httk.serve.optimade.RemoteResultSet method) (httk.store.backend.mongo.results.MongoResultSet method) (httk.store.backend.sql.results.SqlResultSet method) (httk.store.federated_store.FederatedResultSet method) (httk.store.FederatedResultSet method) (httk.store.query.protocols.ResultSetLike method) (httk.store.query.ResultSetLike method) (httk.store.ResultSetLike method) op (httk.store.backend.mongo.searcher.ComparisonNode attribute) open() (httk.store.id_ledger.IdLedger class method) (httk.store.IdLedger class method) open_compressed() (in module httk.core.datastream.compression) open_journal_writer() (httk.workflow.Workspace method) open_ports (httk.workflow.languages.cwl.WorkflowLanguage attribute) (httk.workflow.languages.httk_v1.WorkflowLanguage attribute) (httk.workflow.languages.jobflow.WorkflowLanguage attribute) (httk.workflow.languages.pwd.WorkflowLanguage attribute) (httk.workflow.languages.WorkflowLanguage attribute) open_stream (httk.core.CompressionCodec attribute) (httk.core.datastream.compression.CompressionCodec attribute) (httk.core.datastream.CompressionCodec attribute) OpenAPIContract (class in httk.serve.http.openapi) (class in httk.serve.http.openapi.contract) OpenAPIContractError, [1] OpenAPIOperation (class in httk.serve.http.openapi) (class in httk.serve.http.openapi.app) OpenAPIParameter (class in httk.serve.http.openapi) (class in httk.serve.http.openapi.app) OpenAPIRequest (class in httk.serve.http.openapi) (class in httk.serve.http.openapi.app) OpenAPIRequestError, [1] OpenAPIResponse (class in httk.serve.http.openapi) (class in httk.serve.http.openapi.app) OpenAPISchemaError, [1] OpenAPISchemaRegistry (class in httk.serve.http.openapi) (class in httk.serve.http.openapi.schemas) operands (httk.store.backend.mongo.evaluator.MongoPredicate attribute) operation (httk.atomistic.SettingTransform property) (httk.atomistic.symmetry.setting_transform.SettingTransform property) (httk.atomistic.symmetry.SettingTransform property) (httk.atomistic.symmetry.subgroups.SubgroupTransform attribute) (httk.atomistic.symmetry.subgroups.WyckoffSplitPiece attribute) (httk.atomistic.symmetry.wyckoff.WyckoffBranch property) (httk.atomistic.symmetry.WyckoffBranch property) (httk.serve.http.openapi.app.OpenAPIRequest attribute) (httk.serve.http.openapi.app.OpenAPIRequestError attribute) (httk.serve.http.openapi.OpenAPIRequest attribute) (httk.serve.http.openapi.OpenAPIRequestError attribute) (httk.store.federated_store.FederatedSourceError attribute) (httk.store.FederatedSourceError attribute) operation() (httk.serve.http.openapi.contract.OpenAPIContract method) (httk.serve.http.openapi.OpenAPIContract method) (in module httk.serve.http.openapi) (in module httk.serve.http.openapi.binding) operation_from_xyz() (in module httk.atomistic.symmetry) (in module httk.atomistic.symmetry.xyz) operation_from_xyzt() (in module httk.atomistic.symmetry) (in module httk.atomistic.symmetry.xyz) operation_id (httk.serve.http.openapi.app.OpenAPIOperation attribute) (httk.serve.http.openapi.binding.BoundOperation property) (httk.serve.http.openapi.BoundOperation property) (httk.serve.http.openapi.OpenAPIOperation attribute)

OperationBinding (class in httk.serve.http.openapi) (class in httk.serve.http.openapi.binding) OperationContext (class in httk.serve.http.openapi) (class in httk.serve.http.openapi.binding) operations (httk.serve.http.openapi.contract.OpenAPIContract attribute) (httk.serve.http.openapi.OpenAPIContract attribute) (httk.store.PortableQueryCapabilities attribute) (httk.store.query.portable.PortableQueryCapabilities attribute) (httk.store.query.PortableQueryCapabilities attribute) operator_key (httk.core.identity.DocumentSignature attribute) OperatorIdentity (class in httk.core.identity) optimade_default_version (in module httk.serve.optimade.model) (in module httk.serve.optimade.model.versions) optimade_document_root() (in module httk.core.optimade) (in module httk.core.optimade.resources) optimade_entry_binding() (in module httk.core.register) (in module httk.core.register.entries) optimade_entry_url_info() (in module httk.core.optimade) (in module httk.core.optimade.resources) optimade_filter_searcher() (in module httk.store.backend.mongo.optimade) (in module httk.store.backend.sql.optimade) optimade_parse_tree_to_ojf() (in module httk.core.optimade.filter) optimade_protocol_asset() (in module httk.serve.web.widgets) (in module httk.serve.web.widgets.optimade_assets) optimade_protocol_href() (in module httk.serve.web.widgets) (in module httk.serve.web.widgets.optimade_assets) optimade_resource_from_url() (in module httk.core.optimade) (in module httk.core.optimade.resources) optimade_supported_versions (in module httk.serve.optimade.model) (in module httk.serve.optimade.model.versions) optimade_type (httk.core.property_definitions.PropertyDefinition property) (httk.core.PropertyDefinition property) OptimadeAdapter (class in httk.serve.optimade.model) (class in httk.serve.optimade.model.results) OptimadeCalculation (class in httk.core.optimade) (class in httk.core.optimade.entries) OptimadeClientError, [1] OptimadeConfig (class in httk.serve.optimade) (class in httk.serve.optimade.model) (class in httk.serve.optimade.model.config) OptimadeDiscoveryError, [1] OptimadeDocument (class in httk.core.optimade) (class in httk.core.optimade.resources) OptimadeEntryBackend (class in httk.core.optimade) (class in httk.core.optimade.entries) OptimadeEntryBinding (class in httk.core.register) (class in httk.core.register.entries) OptimadeEntryView (class in httk.core.optimade) (class in httk.core.optimade.entries) OptimadeError, [1], [2] OptimadeErrorDocumentError, [1] OptimadeFile (class in httk.core.optimade) (class in httk.core.optimade.entries) OptimadeHTTPError, [1] OptimadeIndexConfig (class in httk.serve.optimade) (class in httk.serve.optimade.model) (class in httk.serve.optimade.model.config) OptimadePaginationError, [1] OptimadeReference (class in httk.core.optimade) (class in httk.core.optimade.entries) OptimadeResource (class in httk.core.optimade) (class in httk.core.optimade.resources) OptimadeResponseError, [1] OptimadeSchemaSnapshot (class in httk.core.optimade) (class in httk.core.optimade.resources) OptimadeStore (class in httk.serve.optimade) (class in httk.serve.optimade.client) OptimadeStructure (class in httk.atomistic) (class in httk.atomistic.models.structure) (class in httk.atomistic.models.structure.optimade) OptimadeTableProtocolError, [1] OptimadeTransportError, [1] OptimadeValueDecoder (in module httk.core.optimade.entries) OptimadeVersionNegotiationError, [1] optimization_type (httk.atomistic.FundamentalDomainStructureRecord attribute) (httk.atomistic.models.structure.optimade.OptimadeStructure property) (httk.atomistic.models.structure.OptimadeStructure property) (httk.atomistic.models.structure.record.RecordStructure property) (httk.atomistic.models.structure.RecordStructure property) (httk.atomistic.models.structure.semantics.StructureSemanticsMixin property) (httk.atomistic.models.structure.StructureSemanticsMixin property) (httk.atomistic.models.structure.unitcell_view.UnitcellStructureView property) (httk.atomistic.models.structure.UnitcellStructureView property) (httk.atomistic.OptimadeStructure property) (httk.atomistic.storage.FundamentalDomainStructureRecord attribute) (httk.atomistic.storage.records.FundamentalDomainStructureRecord attribute) (httk.atomistic.storage.records.UnitcellStructureRecord attribute) (httk.atomistic.storage.UnitcellStructureRecord attribute) (httk.atomistic.UnitcellStructureRecord attribute) (httk.atomistic.UnitcellStructureView property) OptimizationType (in module httk.atomistic.models.structure) (in module httk.atomistic.models.structure.semantics) optional (httk.store.backend.mongo.mapping.DocumentFieldSpec attribute) (httk.store.backend.schema.FieldSpec attribute) or_() (httk.core.storage.QueryContext method) (httk.core.storage.stored_properties.QueryContext method) order (httk.workflow.languages.pwd.PwdDocument attribute) organization (httk.core.entry_types.Reference attribute) (httk.core.Reference attribute) origin (httk.store.federated_store.FederatedSearcher attribute) (httk.store.FederatedSearcher attribute) original_name (httk.atomistic.models.species.api.SpeciesAPI property) (httk.atomistic.models.species.plain.PlainSpecies property) (httk.atomistic.models.species.PlainSpecies property) (httk.atomistic.models.species.record.RecordSpecies property) (httk.atomistic.models.species.Species attribute) (httk.atomistic.models.species.species.Species attribute) (httk.atomistic.models.species.SpeciesAPI property) (httk.atomistic.Species attribute) (httk.atomistic.storage.records.SpeciesRecord attribute) (httk.atomistic.storage.SpeciesRecord attribute) origins (httk.store.backend.sql.stored_federation.DuplicateEntryIdError attribute) OrNode (class in httk.store.backend.mongo.searcher) orthogonal_supercell() (httk.atomistic.models.structure.unitcell.UnitcellStructure method) (httk.atomistic.models.structure.UnitcellStructure method) (httk.atomistic.UnitcellStructure method) (in module httk.atomistic) (in module httk.atomistic.supercell) orthogonality_score (httk.atomistic.supercell.SupercellResult attribute) (httk.atomistic.SupercellResult attribute) oszicar (httk.atomistic.integrations.vasp.io.outputs.VASPOutputs property) (httk.atomistic.integrations.vasp.io.VASPOutputs property) out_of_sync (httk.serve.dsp.DeliveryStatus attribute) (httk.serve.dsp.models.DeliveryStatus attribute) outcar (httk.atomistic.integrations.vasp.io.outputs.VASPOutputs property) (httk.atomistic.integrations.vasp.io.VASPOutputs property) outcar_plane_wave_count() (in module httk.workflow.vasp) outcar_potim() (in module httk.workflow.vasp) OutcarFile (class in httk.atomistic.integrations.vasp.io) (class in httk.atomistic.integrations.vasp.io.outcar) OutcarFrame (class in httk.atomistic.integrations.vasp.io) (class in httk.atomistic.integrations.vasp.io.outcar) outcome (httk.workflow.executors.OutcomeCommit attribute) outcome_path (httk.workflow.executors.OutcomeCommit attribute) OutcomeAction (in module httk.workflow.protocol) OutcomeCommit (class in httk.workflow.executors) OutcomeDraft (class in httk.workflow.protocol) output() (httk.serve.optimade.backend.memory_store.MemorySearcher method) (httk.serve.optimade.backend.protocols.Searcher method) (httk.serve.optimade.backend.Searcher method) (httk.serve.optimade.remote_query.RemoteSearcher method) (httk.serve.optimade.RemoteSearcher method) (httk.store.backend.mongo.searcher.MongoSearcher method) (httk.store.backend.sql.searcher.SqlSearcher method) (httk.store.federated_store.FederatedSearcher method) (httk.store.FederatedSearcher method) (httk.store.query.protocols.Searcher method) (httk.store.query.Searcher method) (httk.store.Searcher method) output_names (httk.workflow.languages.pwd.PwdDocument property) outputs (httk.core.provenance.Run attribute) (httk.core.Run attribute) (httk.workflow.CollectedJob attribute) (httk.workflow.collecting.CollectedJob attribute) (httk.workflow.languages.cwl.LanguagePorts attribute) (httk.workflow.languages.cwl.LanguageRequest attribute) (httk.workflow.languages.httk_v1.LanguagePorts attribute) (httk.workflow.languages.httk_v1.LanguageRequest attribute) (httk.workflow.languages.jobflow.LanguagePorts attribute) (httk.workflow.languages.jobflow.LanguageRequest attribute) (httk.workflow.languages.LanguagePorts attribute) (httk.workflow.languages.LanguageRequest attribute) (httk.workflow.languages.pwd.LanguagePorts attribute) (httk.workflow.languages.pwd.LanguageRequest attribute) (httk.workflow.scaffold.ResolvedWorkflow attribute) (httk.workflow.scaffold.WorkflowProvider attribute) OUTPUTS_FILE (in module httk.workflow.languages.jobflow) overlay_artifacts() (in module httk.core.building) owner (httk.store.backend.mongo.leases.Lease attribute) ownership() (httk.store.backend.sql.graph.LogicalEdgeGraph method)

P

PACKAGE (in module httk.workflow.languages.cwl) (in module httk.workflow.languages.httk_v1) (in module httk.workflow.languages.jobflow) (in module httk.workflow.languages.pwd) packaged (httk.workflow.scaffold.ResolvedWorkflow attribute) packaged_schema_documents() (in module httk.serve.http.openapi) (in module httk.serve.http.openapi.resources) packaged_schema_registry() (in module httk.serve.http.openapi) (in module httk.serve.http.openapi.resources) page (httk.serve.web.ProviderContext attribute) (httk.serve.web.providers.ProviderContext attribute) (httk.serve.web.widgets.core.WidgetContext attribute) (httk.serve.web.widgets.WidgetContext attribute) page() (httk.store.backend.mongo.results.MongoResultSet method) (httk.store.backend.sql.results.SqlResultSet method) (httk.store.PageableResultSetLike method) (httk.store.query.PageableResultSetLike method) (httk.store.query.protocols.PageableResultSetLike method) page_limit (httk.serve.optimade.client.OptimadeStore attribute) (httk.serve.optimade.model.request.ValidatedParameters attribute) (httk.serve.optimade.model.ValidatedParameters attribute) (httk.serve.optimade.OptimadeStore attribute) (httk.serve.optimade.ValidatedParameters attribute) page_limit_max (httk.serve.optimade.model.config.OptimadeConfig attribute) (httk.serve.optimade.model.OptimadeConfig attribute) (httk.serve.optimade.OptimadeConfig attribute) page_offset (httk.serve.optimade.model.request.ValidatedParameters attribute) (httk.serve.optimade.model.ValidatedParameters attribute) (httk.serve.optimade.ValidatedParameters attribute) page_size (httk.serve.web.providers.TableRequest attribute) (httk.serve.web.TableRequest attribute) PageableResultSetLike (class in httk.store) (class in httk.store.query) (class in httk.store.query.protocols) PageOrder (class in httk.store) (class in httk.store.query) (class in httk.store.query.protocols) PageResult (class in httk.serve.web.model) (class in httk.serve.web.model.page) pages (httk.core.entry_types.Reference attribute) (httk.core.Reference attribute) PaginationCursorError, [1], [2] pairs (httk.serve.optimade.backend.execution.StoreResults attribute) (httk.serve.optimade.backend.StoreResults attribute) parallel_shard_format (httk.store.backend.sql.layout.BackendFacts attribute) parallel_tag (httk.workflow.vasp.VaspPreparationOptions attribute) parallel_value (httk.workflow.vasp.VaspPreparationOptions attribute) ParallelController (class in httk.store.backend.sql.bulk_parallel) param (httk.serve.http.openapi.binding.BoundParameter attribute) (httk.serve.http.openapi.BoundParameter attribute) parameter() (httk.workflow.Attempt method) (httk.workflow.sdk.Attempt method) parameters (httk.atomistic.integrations.vasp.io.outcar.OutcarFile property) (httk.atomistic.integrations.vasp.io.OutcarFile property) (httk.atomistic.NiggliReductionResult attribute) (httk.atomistic.reduction.NiggliReductionResult attribute) (httk.core.project.templates.ProjectTemplate attribute) (httk.core.project.templates.TemplateInstantiateRequest attribute) (httk.serve.http.accept.MediaRange attribute) (httk.serve.http.MediaRange attribute) (httk.serve.http.openapi.app.OpenAPIOperation attribute) (httk.serve.http.openapi.OpenAPIOperation attribute) (httk.workflow.Attempt property) (httk.workflow.ChildSpec attribute) (httk.workflow.hookapi.InstantiateRequest attribute) (httk.workflow.languages.cwl.LanguageRequest attribute) (httk.workflow.languages.cwl.LanguageScaffold attribute) (httk.workflow.languages.httk_v1.LanguageRequest attribute) (httk.workflow.languages.httk_v1.LanguageScaffold attribute) (httk.workflow.languages.jobflow.LanguageRequest attribute) (httk.workflow.languages.jobflow.LanguageScaffold attribute) (httk.workflow.languages.LanguageRequest attribute) (httk.workflow.languages.LanguageScaffold attribute) (httk.workflow.languages.pwd.LanguageRequest attribute) (httk.workflow.languages.pwd.LanguageScaffold attribute) (httk.workflow.protocol.JobDefinition attribute) (httk.workflow.protocol.JobSpec attribute) (httk.workflow.scaffold.InstantiateContext attribute) (httk.workflow.scaffold.JobItem attribute) (httk.workflow.scaffold.ResolvedWorkflow attribute) (httk.workflow.scaffold.WorkflowProvider attribute) (httk.workflow.sdk.Attempt property) (httk.workflow.sdk.ChildSpec attribute) parameters_of() (httk.atomistic.symmetry.wyckoff.WyckoffBranch method) (httk.atomistic.symmetry.wyckoff.WyckoffPosition method) (httk.atomistic.symmetry.WyckoffBranch method) (httk.atomistic.symmetry.WyckoffPosition method) (httk.atomistic.WyckoffPosition method) params (httk.atomistic.CellParams property) (httk.atomistic.models.cell.CellParams property) (httk.atomistic.models.cell.params.CellParams property) parent (httk.atomistic.symmetry.subgroups.SubgroupTransform attribute) (httk.store.backend.mongo.evaluator.MongoScope attribute) (httk.workflow.protocol.JobDefinition attribute) parents (httk.store.backend.sql.bulk_deferred.DeferredFinalizer attribute) parse_accept() (in module httk.serve.http) (in module httk.serve.http.accept) parse_alternative_id() (in module httk.core) (in module httk.core.entry_ids) parse_anonymous_formula() (in module httk.atomistic.models.formula) (in module httk.atomistic.models.formula.notation) parse_asu_cell() (in module httk.atomistic.io.cif.cif_parser) parse_cif_float() (in module httk.atomistic.io.cif.cif_parser) parse_cif_fraction() (in module httk.atomistic.io.cif.cif_parser) parse_cif_int() (in module httk.atomistic.io.cif.cif_parser) parse_entry_id() (in module httk.core) (in module httk.core.entry_ids) parse_immutable_id() (in module httk.core) (in module httk.core.entry_ids) parse_job_key() (in module httk.workflow.protocol) parse_linear_expression() (in module httk.atomistic.symmetry) (in module httk.atomistic.symmetry.xyz) parse_media_type() (in module httk.serve.http) (in module httk.serve.http.accept) parse_openapi_operations() (in module httk.serve.http.openapi) (in module httk.serve.http.openapi.app) parse_optimade_filter() (in module httk.core.optimade) (in module httk.core.optimade.filter) (in module httk.core.optimade.filter.parser) (in module httk.serve.optimade) (in module httk.serve.optimade.filter) parse_optimade_filter_raw() (in module httk.core.optimade) (in module httk.core.optimade.filter) (in module httk.core.optimade.filter.parser) (in module httk.serve.optimade.filter) parse_package_runner() (in module httk.workflow.protocol) parse_plugin_manifest() (in module httk.core.plugins) (in module httk.core.plugins.installed) (in module httk.core.plugins.manifest) parse_protostructure_label() (in module httk.atomistic.models.prototype.notation) parse_prototype_label() (in module httk.atomistic.models.prototype.notation) parse_public_key() (in module httk.core.project) (in module httk.core.project.anchor) (in module httk.workflow.projects) parse_record_ref() (in module httk.workflow.protocol) parse_reduced_formula() (in module httk.atomistic.models.formula) (in module httk.atomistic.models.formula.notation) parse_store_timestamp_state() (in module httk.store.store_timestamp) parse_structural_modulation() (in module httk.atomistic.io.cif.cif_parser) parse_tag() (in module httk.core.docs) (in module httk.core.docs.semver) parse_template_manifest() (in module httk.core.project.templates) parse_version() (in module httk.core.docs) (in module httk.core.docs.semver) parse_widget_invocation() (in module httk.serve.web.widgets.extraction) ParserError, [1], [2], [3], [4] ParserGrammarError ParserInternalError ParserSyntaxError, [1], [2], [3], [4] partial_data_chunk_size (httk.serve.optimade.model.config.OptimadeConfig attribute) (httk.serve.optimade.model.OptimadeConfig attribute) (httk.serve.optimade.OptimadeConfig attribute) partial_data_offset (httk.serve.optimade.model.request.ValidatedRequest attribute) (httk.serve.optimade.model.ValidatedRequest attribute) (httk.serve.optimade.ValidatedRequest attribute) partial_data_parts (httk.serve.optimade.model.request.ValidatedRequest attribute) (httk.serve.optimade.model.ValidatedRequest attribute) (httk.serve.optimade.ValidatedRequest attribute) partial_filter (httk.store.backend.mongo.mapping.IndexSpec property) partial_filter_expression (httk.store.backend.mongo.mapping.IndexSpec attribute) PartialDimension (class in httk.serve.optimade.backend) (class in httk.serve.optimade.backend.partial) PartialValue (class in httk.serve.optimade.backend) (class in httk.serve.optimade.backend.partial) participant_id (httk.serve.dsp.CatalogueProfile attribute) (httk.serve.dsp.config.DspProviderConfig attribute) (httk.serve.dsp.DspProviderConfig attribute) (httk.serve.dsp.models.CatalogueProfile attribute) patch (httk.core.docs.semver.Version attribute) (httk.core.docs.Version attribute) path (httk.atomistic.integrations.vasp.io.outcar.OutcarFile property) (httk.atomistic.integrations.vasp.io.OutcarFile property) (httk.atomistic.integrations.vasp.io.xdatcar.XdatcarFile property) (httk.atomistic.integrations.vasp.io.XdatcarFile property) (httk.atomistic.io.optimade_jsonl.TrajectoryJsonlFile property) (httk.atomistic.LiftResult attribute) (httk.atomistic.SubgroupRepresentationResult attribute) (httk.atomistic.symmetry.lift.LiftResult attribute) (httk.atomistic.symmetry.subgroups.SubgroupRepresentationResult attribute) (httk.core.project.Discrepancy attribute) (httk.core.project.members.ProjectMember attribute) (httk.core.project.ProjectMember attribute) (httk.core.project.Seal attribute) (httk.core.project.sealing.Discrepancy attribute) (httk.core.project.sealing.Seal attribute) (httk.core.storage.identity.StorageProjectionCycleError attribute) (httk.core.storage.StorageProjectionCycleError attribute) (httk.serve.ASGIAppMount attribute) (httk.serve.composition.ASGIAppMount attribute) (httk.serve.http.openapi.app.OpenAPIOperation attribute) (httk.serve.http.openapi.OpenAPIOperation attribute) (httk.serve.web.widgets.assets.WidgetAssetConflictError attribute) (httk.serve.web.widgets.core.WidgetAsset attribute) (httk.serve.web.widgets.WidgetAsset attribute) (httk.store.backend.mongo.searcher.LinkPredicateNode attribute) (httk.workflow.JobState attribute) (httk.workflow.manifests.MaintenanceLock attribute) (httk.workflow.protocol.Marker attribute) (httk.workflow.protocol.MarkerFault attribute) (httk.workflow.protocol.RunLog attribute) (httk.workflow.RunnerRef attribute) (httk.workflow.sdk.RunnerRef attribute) (httk.workflow.supervision.FollowSource attribute) (httk.workflow.vasp.PotcarAssembly attribute) path_params (httk.serve.http.openapi.app.OpenAPIRequest attribute) (httk.serve.http.openapi.OpenAPIRequest attribute) PathRunnerExecutor (class in httk.workflow.executors) pause (httk.workflow.protocol.StateFrame property) pause() (httk.workflow.Attempt method) (httk.workflow.sdk.Attempt method) pause_requested (httk.workflow.protocol.StateFrame property) paused (httk.workflow.WorkCensus attribute) payload (httk.atomistic.integrations.vasp.structure.VASPStructure property) (httk.atomistic.integrations.vasp.VASPStructure property) (httk.atomistic.integrations.VASPStructure property) (httk.atomistic.models.structure.modulated.ModulatedStructure property) (httk.atomistic.ModulatedStructure property) (httk.atomistic.VASPStructure property) (httk.workflow.Attempt attribute) (httk.workflow.ChildResult attribute) (httk.workflow.collecting.JobRecord property) (httk.workflow.executors.AttemptLaunch attribute) (httk.workflow.executors.OutcomeCommit attribute) (httk.workflow.JobRecord property) (httk.workflow.protocol.AttemptContext attribute) (httk.workflow.runtime.AttemptContext attribute) (httk.workflow.scaffold.InstantiateContext attribute) (httk.workflow.scaffold.ScaffoldedJob attribute) (httk.workflow.ScaffoldedJob attribute) (httk.workflow.sdk.Attempt attribute) (httk.workflow.sdk.ChildResult attribute) payload_digest() (httk.workflow.Workspace method) payload_file_records() (in module httk.workflow.manifests) payload_path (httk.workflow.collecting.JobRecord attribute) (httk.workflow.JobRecord attribute) payload_path() (httk.workflow.Workspace method) payload_relative() (in module httk.workflow.languages.cwl) (in module httk.workflow.languages.jobflow) (in module httk.workflow.scaffold) payload_runner (httk.workflow.languages.cwl.LanguageScaffold attribute) (httk.workflow.languages.httk_v1.LanguageScaffold attribute) (httk.workflow.languages.jobflow.LanguageScaffold attribute) (httk.workflow.languages.LanguageScaffold attribute) (httk.workflow.languages.pwd.LanguageScaffold attribute) pearson_symbol (httk.atomistic.models.prototype.api.PrototypeAPI property) (httk.atomistic.models.prototype.PrototypeAPI property) pearson_symbol() (in module httk.atomistic.models.prototype.notation) pending_transition (httk.serve.dsp.models.NegotiationRecord attribute) (httk.serve.dsp.models.TransferRecord attribute) (httk.serve.dsp.NegotiationRecord attribute) (httk.serve.dsp.TransferRecord attribute) periodic_measure (httk.atomistic.Cell property) (httk.atomistic.models.cell.Cell property) (httk.atomistic.models.cell.cell.Cell property) periodicity (httk.atomistic.Cell property) (httk.atomistic.FundamentalDomainStructure property) (httk.atomistic.FundamentalDomainTemplate property) (httk.atomistic.models.cell.api.CellAPI property) (httk.atomistic.models.cell.Cell property) (httk.atomistic.models.cell.cell.Cell property) (httk.atomistic.models.cell.CellAPI property) (httk.atomistic.models.cell.numeric.NumericCell property) (httk.atomistic.models.cell.NumericCell property) (httk.atomistic.models.cell.record.RecordCell property) (httk.atomistic.models.structure.asu.FundamentalDomainStructure property) (httk.atomistic.models.structure.FundamentalDomainStructure property) (httk.atomistic.models.structure.numeric_view.NumericUnitcellStructureView property) (httk.atomistic.models.structure.NumericUnitcellStructureView property) (httk.atomistic.models.structure.symops.SymopsStructure property) (httk.atomistic.models.structure.unitcell.UnitcellStructure property) (httk.atomistic.models.structure.UnitcellStructure property) (httk.atomistic.models.structuretype.fundamental.FundamentalDomainTemplate property) (httk.atomistic.models.structuretype.FundamentalDomainTemplate property) (httk.atomistic.models.structuretype.Structuretype property) (httk.atomistic.models.structuretype.structuretype.Structuretype property) (httk.atomistic.models.structuretype.view.StructuretypeView property) (httk.atomistic.NumericUnitcellStructureView property) (httk.atomistic.storage.CellRecord attribute) (httk.atomistic.storage.records.CellRecord attribute) (httk.atomistic.Structuretype property) (httk.atomistic.StructuretypeView property) (httk.atomistic.SymopsStructure property) (httk.atomistic.UnitcellStructure property) PERSISTABLE_REMOTE_SETTINGS (in module httk.workflow.adapters) phase (httk.serve.web.model.errors.WidgetDiscoveryError attribute) (httk.serve.web.model.errors.WidgetError attribute) (httk.serve.web.model.errors.WidgetParseError attribute) (httk.serve.web.model.errors.WidgetRenderingError attribute) (httk.serve.web.model.errors.WidgetValidationError attribute) (httk.serve.web.model.WidgetDiscoveryError attribute) (httk.serve.web.model.WidgetError attribute) (httk.serve.web.model.WidgetParseError attribute) (httk.serve.web.model.WidgetRenderingError attribute) (httk.serve.web.model.WidgetValidationError attribute) phase_lines (httk.analyse.matsci.phase_diagrams.PhaseDiagram property) (httk.analyse.matsci.PhaseDiagram property) PhaseDiagram (class in httk.analyse.matsci) (class in httk.analyse.matsci.phase_diagrams) PhaseDiagramBuilder (class in httk.analyse.matsci) (class in httk.analyse.matsci.phase_diagrams) PI (in module httk.atomistic.wavefunction) pi() (httk.core.vectors.fracvector.FracVectorBase class method) (in module httk.core.exactmath) (in module httk.core.vectors.vectormath) pid (httk.workflow.manifests.MaintenanceLock attribute) pin_project_key() (in module httk.core.project) (in module httk.core.project.anchor) (in module httk.workflow.projects) pinned_project_key() (in module httk.core.project) (in module httk.core.project.anchor) (in module httk.workflow.projects) PinnedHttpsJsonPoster (class in httk.serve.http) (class in httk.serve.http.webhook) placeholder (httk.serve.web.renderers.base.WidgetPlacement attribute) placement (httk.workflow.ChildResult attribute) (httk.workflow.collecting.JobRecord attribute) (httk.workflow.JobRecord attribute) (httk.workflow.protocol.AttemptContext attribute) (httk.workflow.protocol.Marker attribute) (httk.workflow.runtime.AttemptContext attribute) (httk.workflow.scaffold.JobItem attribute) (httk.workflow.scaffold.ScaffoldedJob attribute) (httk.workflow.ScaffoldedJob attribute) (httk.workflow.sdk.ChildResult attribute) placement_for() (in module httk.serve.web.widgets.extraction) placement_hint (httk.workflow.protocol.ChildReference attribute) placement_prefixes (httk.workflow.TaskManager attribute) PlainCell (class in httk.atomistic.models.cell) (class in httk.atomistic.models.cell.plain) PlainCellView (class in httk.atomistic.models.cell) (class in httk.atomistic.models.cell.plain_view) PlainComposition (class in httk.atomistic.models.formula.plain) PlainSites (class in httk.atomistic.models.sites) (class in httk.atomistic.models.sites.plain) PlainSitesView (class in httk.atomistic.models.sites) (class in httk.atomistic.models.sites.plain_view) PlainSpecies (class in httk.atomistic.models.species) (class in httk.atomistic.models.species.plain) PlainSpeciesView (class in httk.atomistic) (class in httk.atomistic.models.species) (class in httk.atomistic.models.species.plain_view) PlainStructure (class in httk.atomistic.models.structure) (class in httk.atomistic.models.structure.plain) PlainStructureView (class in httk.atomistic) (class in httk.atomistic.models.structure) (class in httk.atomistic.models.structure.plain_view) PlainTrajectory (class in httk.atomistic) (class in httk.atomistic.models.trajectory) (class in httk.atomistic.models.trajectory.plain) plan_vasp_remedy() (in module httk.workflow.vasp) PlaneWaveFunctions (class in httk.atomistic) (class in httk.atomistic.wavefunction) platform (httk.core.building.BuildSpec attribute) (httk.workflow.scaffold.BuildSpec attribute) platform_output (httk.core.building.BuildResult attribute) platform_tag() (in module httk.core.building) plot() (httk.analyse.matsci.phase_diagrams.PhaseDiagram method) (httk.analyse.matsci.PhaseDiagram method) PLUGIN_MANIFEST (in module httk.core.plugins) (in module httk.core.plugins.installed) (in module httk.core.plugins.manifest) PLUGIN_METADATA (in module httk.core.plugins) (in module httk.core.plugins.installed) plugin_program() (in module httk.core.plugins) (in module httk.core.plugins.installed) plugin_root() (in module httk.core.plugins) (in module httk.core.plugins.installed) PluginManifest (class in httk.core.plugins) (class in httk.core.plugins.installed) (class in httk.core.plugins.manifest)

PluginProgram (class in httk.core.plugins) (class in httk.core.plugins.installed) (class in httk.core.plugins.manifest) PluginRegistry (class in httk.core.register) plugins_home() (in module httk.core.plugins) (in module httk.core.plugins.installed) point_groups() (in module httk.atomistic.data) points (httk.analyse.generic.lower_hull.LowerConvexHull property) (httk.analyse.generic.LowerConvexHull property) policy (httk.serve.dsp.AgreementRecord attribute) (httk.serve.dsp.models.AgreementRecord attribute) (httk.serve.dsp.models.NegotiationRecord attribute) (httk.serve.dsp.NegotiationRecord attribute) (httk.workflow.vasp.VaspRemedyDecision attribute) (httk.workflow.Workspace property) poll_initial (httk.store.backend.mongo.leases.LeaseTiming attribute) poll_max (httk.store.backend.mongo.leases.LeaseTiming attribute) pools (httk.workflow.TaskManager attribute) portable_query_capabilities() (in module httk.store) (in module httk.store.query) (in module httk.store.query.portable) portable_query_fields() (in module httk.store) (in module httk.store.query) (in module httk.store.query.portable) PortableQueryCapabilities (class in httk.store) (class in httk.store.query) (class in httk.store.query.portable) ports (httk.workflow.languages.cwl.WorkflowLanguage attribute) (httk.workflow.languages.httk_v1.WorkflowLanguage attribute) (httk.workflow.languages.jobflow.WorkflowLanguage attribute) (httk.workflow.languages.pwd.WorkflowLanguage attribute) (httk.workflow.languages.WorkflowLanguage attribute) ports() (in module httk.workflow.languages.httk_v1) pos (httk.core.optimade.filter.parser.ParserSyntaxError attribute) (httk.core.optimade.filter.ParserSyntaxError attribute) (httk.core.optimade.ParserSyntaxError attribute) (httk.serve.optimade.filter.ParserSyntaxError attribute) (httk.serve.optimade.ParserSyntaxError attribute) poscar (httk.atomistic.integrations.vasp.io.outputs.VASPOutputs property) (httk.atomistic.integrations.vasp.io.VASPOutputs property) PoscarHeader (class in httk.workflow.vasp) positions (httk.atomistic.integrations.vasp.io.outcar.OutcarFrame attribute) (httk.atomistic.integrations.vasp.io.OutcarFrame attribute) (httk.atomistic.io.cif.cif_parser.AsuCell attribute) positions_exact (httk.atomistic.io.cif.cif_parser.AsuCell attribute) positions_floats() (httk.atomistic.integrations.vasp.io.outcar.OutcarFrame method) (httk.atomistic.integrations.vasp.io.OutcarFrame method) post (httk.store.backend.sql.searcher.SqlExpression attribute) postgresql() (httk.store.backend.sql.engine.Backend class method) postprocess_scripts (httk.workflow.scaffold.ResolvedWorkflow attribute) (httk.workflow.scaffold.WorkflowProvider attribute) postvars (httk.serve.web.model.HttpRequestContext attribute) (httk.serve.web.model.request.HttpRequestContext attribute) (httk.serve.web.widgets.core.WidgetContext attribute) (httk.serve.web.widgets.WidgetContext attribute) potcar (httk.atomistic.integrations.vasp.io.outputs.VASPOutputs property) (httk.atomistic.integrations.vasp.io.VASPOutputs property) potcar_summary() (in module httk.workflow.vasp) potcar_titles (httk.atomistic.integrations.vasp.io.outcar.OutcarFile property) (httk.atomistic.integrations.vasp.io.OutcarFile property) PotcarAssembly (class in httk.workflow.vasp) PotcarChoice (class in httk.workflow.vasp) pow() (in module httk.core.vectors.vectormath) precedence (httk.workflow.vasp.RemedyPolicy attribute) precision (httk.atomistic.CartesianSiteMoments property) (httk.atomistic.Cell property) (httk.atomistic.CellParams property) (httk.atomistic.CollinearSiteMoments property) (httk.atomistic.CrystalAxisSiteMoments property) (httk.atomistic.io.cif.cif_parser.CifMeta attribute) (httk.atomistic.models.cell.api.CellAPI property) (httk.atomistic.models.cell.Cell property) (httk.atomistic.models.cell.cell.Cell property) (httk.atomistic.models.cell.CellAPI property) (httk.atomistic.models.cell.CellParams property) (httk.atomistic.models.cell.numeric.NumericCell property) (httk.atomistic.models.cell.NumericCell property) (httk.atomistic.models.cell.params.CellParams property) (httk.atomistic.models.cell.record.RecordCell property) (httk.atomistic.models.moments.api.SiteMomentsAPI property) (httk.atomistic.models.moments.cartesian.CartesianSiteMoments property) (httk.atomistic.models.moments.CartesianSiteMoments property) (httk.atomistic.models.moments.collinear.CollinearSiteMoments property) (httk.atomistic.models.moments.CollinearSiteMoments property) (httk.atomistic.models.moments.crystalaxis.CrystalAxisSiteMoments property) (httk.atomistic.models.moments.CrystalAxisSiteMoments property) (httk.atomistic.models.sites.api.SitesAPI property) (httk.atomistic.models.sites.numeric.NumericSites property) (httk.atomistic.models.sites.NumericSites property) (httk.atomistic.models.sites.record.RecordSites property) (httk.atomistic.models.sites.Sites property) (httk.atomistic.models.sites.sites.Sites property) (httk.atomistic.models.sites.SitesAPI property) (httk.atomistic.Sites property) (httk.atomistic.storage.CellRecord attribute) (httk.atomistic.storage.CompositionAmountRecord attribute) (httk.atomistic.storage.NormalizedCompositionAmountRecord attribute) (httk.atomistic.storage.records.CellRecord attribute) (httk.atomistic.storage.records.CompositionAmountRecord attribute) (httk.atomistic.storage.records.NormalizedCompositionAmountRecord attribute) (httk.atomistic.storage.records.SitesRecord attribute) (httk.atomistic.storage.SitesRecord attribute) precision_definitions() (in module httk.atomistic.entries) (in module httk.atomistic.entries.precision) precision_mapping (httk.atomistic.ChemicalComposition property) (httk.atomistic.composition.ChemicalComposition property) precision_properties() (in module httk.atomistic.entries) (in module httk.atomistic.entries.precision) PRECISION_PROPERTY_KEYS (in module httk.atomistic.entries) (in module httk.atomistic.entries.precision) PrecisionInput (in module httk.atomistic.models.species.species) predecessor_logical_id (httk.store.backend.sql.store.EntryReplacementError attribute) (httk.store.store_common.EntryReplacementError attribute) predicate (httk.serve.optimade.backend.memory_store.MemoryExpression attribute) (httk.store.backend.mongo.searcher.LinkPredicateNode attribute) Predicate (in module httk.serve.optimade.backend.memory_store) prefixes (httk.store.backend.sql.stored_properties.RelationshipSourceMap attribute) preflight_document() (in module httk.store.backend.mongo.documents) prepare (httk.workflow.languages.cwl.WorkflowLanguage attribute) (httk.workflow.languages.httk_v1.WorkflowLanguage attribute) (httk.workflow.languages.jobflow.WorkflowLanguage attribute) (httk.workflow.languages.pwd.WorkflowLanguage attribute) (httk.workflow.languages.WorkflowLanguage attribute) prepare() (in module httk.workflow.languages.httk_v1) prepare_job_payload() (in module httk.workflow.protocol) prepare_vasp_inputs() (in module httk.workflow.vasp) present (httk.core.identity.DocumentSignature attribute) previous (httk.store.query.protocols.ResultPage attribute) (httk.store.query.ResultPage attribute) (httk.store.ResultPage attribute) previous_attempt_id (httk.workflow.protocol.AttemptContext attribute) (httk.workflow.protocol.StateFrame property) (httk.workflow.runtime.AttemptContext attribute) previous_cursor (httk.serve.web.providers.TablePage attribute) (httk.serve.web.TablePage attribute) primitive_cell() (in module httk.atomistic) (in module httk.atomistic.symmetry.primitive) PrimitiveCellResult (class in httk.atomistic) (class in httk.atomistic.symmetry.primitive) prior_kind (httk.workflow.transfers.TransferCandidate attribute) priority (httk.workflow.ChildSpec attribute) (httk.workflow.protocol.JobDefinition attribute) (httk.workflow.protocol.JobSpec attribute) (httk.workflow.protocol.Marker attribute) (httk.workflow.scaffold.JobItem attribute) (httk.workflow.sdk.ChildSpec attribute) probe_remote_workspace() (in module httk.workflow.adapters) problem (httk.workflow.protocol.RecordVerification attribute) (httk.workflow.transfers.TransferCandidate attribute) (httk.workflow.vasp.VaspRemedyDecision attribute) process (httk.workflow.vasp.VaspRunReport attribute) process() (in module httk.serve.optimade) (in module httk.serve.optimade.engine) (in module httk.serve.optimade.engine.processing) ProcessReport (class in httk.workflow.supervision) ProcessSupervisor (class in httk.workflow.supervision) product_relationships() (in module httk.store) (in module httk.store.entry_providers) ProductLink (class in httk.core) (class in httk.core.provenance) products (httk.workflow.CollectedJob attribute) (httk.workflow.collecting.CollectedJob attribute) products_unlinked (httk.workflow.CollectedJob attribute) (httk.workflow.collecting.CollectedJob attribute) profile (httk.serve.dsp.DspProvider property) (httk.serve.dsp.provider.DspProvider property) program (httk.core.cli.CLIContext attribute) (httk.core.CLIContext attribute) (httk.serve.web.cli.CLIContextLike property) programs (httk.core.plugins.installed.PluginManifest attribute) (httk.core.plugins.manifest.PluginManifest attribute) (httk.core.plugins.PluginManifest attribute) PROGRAMS (in module httk.workflow.languages.httk_v1) project (httk.core.project.templates.TemplateInstantiateRequest attribute) project_composition() (in module httk.atomistic.composition) PROJECT_DIRECTORY (in module httk.core.project) (in module httk.core.project.anchor) (in module httk.workflow.projects) project_exclusions() (in module httk.core.project) (in module httk.core.project.manifests) (in module httk.workflow.projects) PROJECT_FILE (in module httk.core.project) (in module httk.core.project.anchor) (in module httk.workflow.projects) project_local (httk.workflow.adapters.RemoteTarget attribute) project_member_handler() (in module httk.core) (in module httk.core.register) (in module httk.core.register.members) project_member_kinds (in module httk.core.register.members) project_members() (in module httk.core.project) (in module httk.core.project.members) PROJECT_PRIVATE_KEY_RELATIVE_PATH (in module httk.core.project) (in module httk.core.project.export) project_public_key_path() (in module httk.core.project) (in module httk.core.project.anchor) (in module httk.workflow.projects) project_remote_roots() (in module httk.workflow.adapters) project_repair() (in module httk.core.project.cli) project_seal_path() (in module httk.core.project) (in module httk.core.project.sealing) project_storage_record() (in module httk.core.storage) (in module httk.core.storage.identity) ProjectMember (class in httk.core.project) (class in httk.core.project.members) ProjectMemberHandler (class in httk.core.project) (class in httk.core.project.members) projector() (httk.store.store_common.SaveProjection method) ProjectTemplate (class in httk.core.project.templates) properties (httk.core.EntryTypeDefinition property) (httk.core.property_definitions.EntryTypeDefinition property) properties_by_entry (httk.serve.optimade.schema.served.ServedSchema attribute) property_decoders (httk.core.register.entries.OptimadeEntryBinding attribute) (httk.core.register.OptimadeEntryBinding attribute) PROPERTY_DEFINITION_META_SCHEMA (in module httk.core.property_definitions) property_definitions (httk.serve.optimade.schema.served.ServedSchema attribute) property_iris (httk.serve.optimade.client.RemoteEntryType attribute) (httk.serve.optimade.RemoteEntryType attribute) property_keys() (httk.atomistic.entries.structures.StructureEntryProvider method) (httk.atomistic.entries.trajectories.TrajectoryEntryProvider method) (httk.atomistic.StructureEntryProvider method) (httk.atomistic.TrajectoryEntryProvider method) (httk.core.entry_provider.EntryProvider method) (httk.core.EntryProvider method) (httk.store.backend.mongo.entry_provider.StoreEntryProvider method) (httk.store.backend.sql.entry_provider.StoreEntryProvider method) (httk.store.DataRecordEntryProvider method) (httk.store.entry_providers.DataRecordEntryProvider method) (httk.store.entry_providers.RunEntryProvider method) (httk.store.entry_providers.StandardEntryProvider method) (httk.store.RunEntryProvider method) property_metadata (httk.serve.optimade.backend.adapter.EntrySource attribute) (httk.serve.optimade.backend.EntrySource attribute) (httk.serve.optimade.EntrySource attribute) (httk.serve.optimade.model.ResultRow attribute) (httk.serve.optimade.model.results.ResultRow attribute) property_metadata_requested (httk.serve.optimade.model.request.ValidatedRequest attribute) (httk.serve.optimade.model.ValidatedRequest attribute) (httk.serve.optimade.ValidatedRequest attribute) property_names (httk.serve.optimade.client.RemoteEntryType attribute) (httk.serve.optimade.RemoteEntryType attribute) property_types (httk.serve.optimade.client.RemoteEntryType attribute) (httk.serve.optimade.RemoteEntryType attribute) PropertyDefinition (class in httk.core) (class in httk.core.property_definitions) PropertyValidationError, [1] props (httk.serve.web.renderers.base.WidgetPlacement attribute) protocol_version (httk.store.backend.sql.layout.StorageLayout attribute) (httk.store.storage_layout.StorageLayout attribute) Protostructure (class in httk.atomistic) (class in httk.atomistic.models.protostructure) (class in httk.atomistic.models.protostructure.protostructure) protostructure (httk.atomistic.models.protostructure.api.ProtostructureAPI property) (httk.atomistic.models.protostructure.ProtostructureAPI property) ProtostructureAPI (class in httk.atomistic.models.protostructure) (class in httk.atomistic.models.protostructure.api) ProtostructureBackend (class in httk.atomistic.models.protostructure) (class in httk.atomistic.models.protostructure.backend) ProtostructureEntry (class in httk.atomistic.entries.prototypes) ProtostructureLabel (class in httk.atomistic) (class in httk.atomistic.models.protostructure.label) ProtostructureLabelString (class in httk.atomistic.models.protostructure.label_string) ProtostructureLike (in module httk.atomistic) (in module httk.atomistic.models.protostructure) (in module httk.atomistic.models.protostructure.like) ProtostructureRecord (class in httk.atomistic) (class in httk.atomistic.storage) (class in httk.atomistic.storage.records) ProtostructureView (class in httk.atomistic) (class in httk.atomistic.models.protostructure.view) ProtostructureViewBase (class in httk.atomistic.models.protostructure) (class in httk.atomistic.models.protostructure.view_base) Prototype (class in httk.atomistic) (class in httk.atomistic.models.prototype) (class in httk.atomistic.models.prototype.prototype) prototype (httk.atomistic.FundamentalDomainTemplate property) (httk.atomistic.models.prototype.api.PrototypeAPI property) (httk.atomistic.models.prototype.PrototypeAPI property) (httk.atomistic.models.structuretype.fundamental.FundamentalDomainTemplate property) (httk.atomistic.models.structuretype.FundamentalDomainTemplate property) PrototypeAPI (class in httk.atomistic.models.prototype) (class in httk.atomistic.models.prototype.api) PrototypeBackend (class in httk.atomistic.models.prototype) (class in httk.atomistic.models.prototype.backend) PrototypeEntry (class in httk.atomistic.entries.prototypes) PrototypeLabel (class in httk.atomistic) (class in httk.atomistic.models.prototype.label) PrototypeLabelString (class in httk.atomistic.models.prototype.label_string) PrototypeLike (in module httk.atomistic) (in module httk.atomistic.models.prototype) (in module httk.atomistic.models.prototype.like) PrototypeOccupation (class in httk.atomistic) (class in httk.atomistic.models.prototype) (class in httk.atomistic.models.prototype.occupation) PrototypeRecord (class in httk.atomistic) (class in httk.atomistic.storage) (class in httk.atomistic.storage.records) PrototypeView (class in httk.atomistic) (class in httk.atomistic.models.prototype.view) PrototypeViewBase (class in httk.atomistic.models.prototype) (class in httk.atomistic.models.prototype.view_base) provenance (httk.workflow.collecting.JobRecord attribute) (httk.workflow.JobRecord attribute) (httk.workflow.vasp.PotcarAssembly attribute) PROVENANCE_DECLARATION (in module httk.workflow.provenance) provider (httk.serve.optimade.model.config.OptimadeConfig attribute) (httk.serve.optimade.model.OptimadeConfig attribute) (httk.serve.optimade.OptimadeConfig attribute) provider_pid (httk.serve.dsp.DspProtocolError attribute) (httk.serve.dsp.models.DspProtocolError attribute) (httk.serve.dsp.models.NegotiationRecord attribute) (httk.serve.dsp.models.TransferRecord attribute) (httk.serve.dsp.NegotiationRecord attribute) (httk.serve.dsp.TransferRecord attribute) ProviderContext (class in httk.serve.web) (class in httk.serve.web.providers) providers_from_registry() (in module httk.serve.optimade) (in module httk.serve.optimade.backend) (in module httk.serve.optimade.backend.providers) pseudopotential_library (httk.workflow.vasp.VaspPreparationOptions attribute) public_base_url (httk.serve.dsp.config.DspProviderConfig attribute) (httk.serve.dsp.DspProviderConfig attribute) public_id (httk.store.backend.sql.stored_federation.DuplicateEntryIdError attribute) public_id_prefix (httk.store.backend.sql.stored_federation.StoredEntrySource attribute) public_key (httk.core.project.manifests.ManifestVerification attribute) (httk.core.project.ManifestVerification attribute) (httk.workflow.manifests.ManifestVerification attribute) PUBLIC_KEY_PREFIX (in module httk.core.project) (in module httk.core.project.anchor) (in module httk.workflow.projects) publish() (httk.workflow.protocol.OutcomeDraft method) (in module httk.serve.web) (in module httk.serve.web.api) publish_request() (httk.workflow.Workspace method) publish_runner() (httk.workflow.Workspace method) publish_site() (in module httk.serve.web.publishing) (in module httk.serve.web.publishing.static) publish_use_urls_without_ext (httk.serve.web.model.config.SiteConfig attribute) (httk.serve.web.model.SiteConfig attribute) published (httk.workflow.Attempt property) (httk.workflow.sdk.Attempt property) publisher (httk.core.entry_types.Reference attribute) (httk.core.Reference attribute) publisher_id (httk.core.Dataset attribute) (httk.core.datasets.Dataset attribute) publisher_name (httk.core.Dataset attribute) (httk.core.datasets.Dataset attribute) PublishReport (class in httk.serve.web.model) (class in httk.serve.web.model.page) put() (httk.workflow.Attempt method) (httk.workflow.sdk.Attempt method) put_file() (httk.workflow.protocol.TransactionBuilder method) put_tree() (httk.workflow.protocol.TransactionBuilder method) PwdDocument (class in httk.workflow.languages.pwd) PwdFormatError PymatgenStructure (class in httk.atomistic) (class in httk.atomistic.integrations) (class in httk.atomistic.integrations.pymatgen) (class in httk.atomistic.integrations.pymatgen.models) PymatgenStructureProtocol (class in httk.atomistic) (class in httk.atomistic.integrations) (class in httk.atomistic.integrations.pymatgen) (class in httk.atomistic.integrations.pymatgen.models) PymatgenStructureView (class in httk.atomistic.integrations.pymatgen.view) python_type (httk.store.backend.codecs.ValueCodec attribute) (httk.store.backend.schema.FieldSpec attribute) PythonFunctionHandler (class in httk.serve.web.functions) (class in httk.serve.web.functions.python_module)

Q

quality (httk.serve.http.accept.MediaRange attribute) (httk.serve.http.MediaRange attribute) quarantine() (httk.workflow.Workspace method) query (httk.core.storage.stored_properties.StoredPropertyProjection attribute) (httk.core.storage.StoredPropertyProjection attribute) (httk.serve.http.openapi.app.OpenAPIRequest attribute) (httk.serve.http.openapi.OpenAPIRequest attribute) (httk.serve.optimade.model.RawRequest attribute) (httk.serve.optimade.model.request.RawRequest attribute) (httk.serve.optimade.model.request.ValidatedRequest attribute) (httk.serve.optimade.model.ValidatedRequest attribute) (httk.serve.optimade.RawRequest attribute) (httk.serve.optimade.ValidatedRequest attribute) (httk.serve.web.model.HttpRequestContext attribute) (httk.serve.web.model.request.HttpRequestContext attribute) (httk.serve.web.ProviderContext attribute) (httk.serve.web.providers.ProviderContext attribute) (httk.serve.web.widgets.core.WidgetContext attribute) (httk.serve.web.widgets.WidgetContext attribute) query() (httk.store.backend.sql.stored_federation.StoredEntryFederation method) query_fields (httk.core.register.entries.OptimadeEntryBinding attribute) (httk.core.register.OptimadeEntryBinding attribute) query_function() (httk.serve.optimade.backend.adapter.BackendAdapter method) (httk.serve.optimade.backend.BackendAdapter method) (httk.serve.optimade.backend.StoredBackendAdapter method) (httk.serve.optimade.backend.stores.StoredBackendAdapter method) (httk.serve.optimade.BackendAdapter method) (httk.serve.optimade.model.OptimadeAdapter method) (httk.serve.optimade.model.results.OptimadeAdapter method) (httk.serve.optimade.StoredBackendAdapter method)

query_suffix (httk.store.backend.codecs.ValueCodec attribute) query_support (httk.store.PortableQueryCapabilities attribute) (httk.store.query.portable.PortableQueryCapabilities attribute) (httk.store.query.PortableQueryCapabilities attribute) QueryContext (class in httk.core.storage) (class in httk.core.storage.stored_properties) QueryExpression (class in httk.core.storage) (class in httk.core.storage.stored_properties) QueryField (class in httk.core.storage) (class in httk.core.storage.stored_properties) QueryFunction (class in httk.serve.optimade.backend) (class in httk.serve.optimade.backend.protocols) (class in httk.serve.optimade.model) (class in httk.serve.optimade.model.results) QueryLiteralError, [1] QueryResults (class in httk.serve.optimade.backend) (class in httk.serve.optimade.backend.protocols) (class in httk.serve.optimade.model) (class in httk.serve.optimade.model.results) QueryScope (class in httk.core.storage) (class in httk.core.storage.stored_properties) querystr (httk.serve.optimade.model.RawRequest attribute) (httk.serve.optimade.model.request.RawRequest attribute) (httk.serve.optimade.RawRequest attribute) QueryValue (class in httk.core.storage) (class in httk.core.storage.stored_properties) QUIESCENT_KINDS (in module httk.workflow.protocol)

R

radians() (in module httk.core.vectors.vectormath) radicands (httk.core.SurdVector property) (httk.core.vectors.SurdVector property) (httk.core.vectors.surdvector.SurdVector property) random() (httk.core.vectors.fracvector.FracVectorBase class method) ratio (httk.atomistic.storage.NormalizedCompositionAmountRecord attribute) (httk.atomistic.storage.records.NormalizedCompositionAmountRecord attribute) rattle_poscar() (in module httk.workflow.vasp) raw (httk.atomistic.models.structure.optimade.OptimadeStructure property) (httk.atomistic.models.structure.OptimadeStructure property) (httk.atomistic.OptimadeStructure property) (httk.core.optimade.entries.OptimadeEntryBackend property) (httk.core.optimade.OptimadeEntryBackend property) (httk.workflow.ChildResult attribute) (httk.workflow.languages.pwd.PwdDocument attribute) (httk.workflow.protocol.AttemptContext attribute) (httk.workflow.protocol.JobDefinition attribute) (httk.workflow.runtime.AttemptContext attribute) (httk.workflow.sdk.ChildResult attribute) RawRequest (class in httk.serve.optimade) (class in httk.serve.optimade.model) (class in httk.serve.optimade.model.request) reachability_scc_order() (httk.store.backend.sql.graph.LogicalEdgeGraph method) read() (httk.core.BytestreamFileView method) (httk.core.datastream.bytestream_api.BytestreamAPI method) (httk.core.datastream.bytestream_common.BytestreamCommon method) (httk.core.datastream.bytestream_file_view.BytestreamFileView method) (httk.core.datastream.BytestreamCommon method) (httk.core.datastream.BytestreamFileView method) (httk.core.datastream.textstream_api.TextstreamAPI method) (httk.core.datastream.textstream_common.TextstreamCommon method) (httk.core.datastream.textstream_file_view.TextstreamFileView method) (httk.core.datastream.TextstreamCommon method) (httk.core.datastream.TextstreamFileView method) (httk.core.TextstreamFileView method) (httk.workflow.JobState method) read_cif() (in module httk.atomistic.io.cif) (in module httk.atomistic.io.cif.cif_reader) read_cif_asus() (in module httk.atomistic.io.cif) (in module httk.atomistic.io.cif.cif_parser) read_config() (in module httk.workflow.configuration) read_credentials() (in module httk.workflow.adapters) read_ecosystem_manifest() (in module httk.core.docs) (in module httk.core.docs.ecosystem) read_identity_config() (in module httk.core.identity) read_incar() (in module httk.workflow.vasp) read_inventory_header() (in module httk.core.docs) (in module httk.core.docs.inventories) read_lock_pins() (in module httk.core.docs) (in module httk.core.docs.lockfile) read_maintenance_lock() (in module httk.workflow.manifests) read_manifest_build_spec() (in module httk.core.building) read_mcif_asus() (in module httk.atomistic.io.cif) (in module httk.atomistic.io.cif.mcif_parser) read_metadata() (in module httk.workflow.adapters) read_oszicar() (in module httk.atomistic.integrations.vasp.io) (in module httk.atomistic.integrations.vasp.io.oszicar) read_outcar() (in module httk.atomistic.integrations.vasp.io) (in module httk.atomistic.integrations.vasp.io.outcar) read_poscar() (in module httk.atomistic.integrations.vasp.io) (in module httk.atomistic.integrations.vasp.io.poscar_reader) read_poscar_header() (in module httk.workflow.vasp) read_potcar_summary() (in module httk.atomistic.integrations.vasp.io) (in module httk.atomistic.integrations.vasp.io.potcar) read_project() (in module httk.core.project) (in module httk.core.project.anchor) (in module httk.workflow.projects) read_project_section() (in module httk.core.project) (in module httk.core.project.anchor) (in module httk.workflow.projects) read_public_key_file() (in module httk.core.project) (in module httk.core.project.anchor) (in module httk.workflow.projects) read_record() (in module httk.workflow.protocol) read_seal() (in module httk.core.project) (in module httk.core.project.sealing) read_settings() (httk.workflow.Workspace method) read_state() (httk.workflow.Workspace method) read_store_metadata() (in module httk.store.backend.sql.layout) read_trajectory_jsonl() (in module httk.atomistic.io.optimade_jsonl) read_version_manifest() (in module httk.core.docs) (in module httk.core.docs.manifests) read_wavecar() (in module httk.atomistic.integrations.vasp.io) (in module httk.atomistic.integrations.vasp.io.wavecar) read_workflow_preludes() (httk.workflow.Workspace method) read_xdatcar() (in module httk.atomistic.integrations.vasp.io) (in module httk.atomistic.integrations.vasp.io.xdatcar) readable (httk.workflow.manifests.MaintenanceLock attribute) readable() (httk.core.BytestreamFileView method) (httk.core.datastream.bytestream_file_view.BytestreamFileView method) (httk.core.datastream.BytestreamFileView method) (httk.core.datastream.textstream_file_view.TextstreamFileView method) (httk.core.datastream.TextstreamFileView method) (httk.core.TextstreamFileView method) reader_filenames (in module httk.core.register) (in module httk.core.register.io) reader_uses_extension() (in module httk.core.loading) readers (in module httk.core.register) (in module httk.core.register.io) readline() (httk.core.BytestreamFileView method) (httk.core.datastream.bytestream_file_view.BytestreamFileView method) (httk.core.datastream.BytestreamFileView method) (httk.core.datastream.textstream_file_view.TextstreamFileView method) (httk.core.datastream.TextstreamFileView method) (httk.core.TextstreamFileView method) readlines() (httk.core.BytestreamFileView method) (httk.core.datastream.bytestream_file_view.BytestreamFileView method) (httk.core.datastream.BytestreamFileView method) (httk.core.datastream.textstream_file_view.TextstreamFileView method) (httk.core.datastream.TextstreamFileView method) (httk.core.TextstreamFileView method) ready_blocked (httk.workflow.WorkCensus attribute) ready_blocked_total (httk.workflow.WorkCensus property) ready_claimable (httk.workflow.WorkCensus attribute) realspace_wave() (httk.atomistic.PlaneWaveFunctions method) (httk.atomistic.wavefunction.PlaneWaveFunctions method) rearm() (in module httk.core.report) reason (httk.core.identity.DocumentSignature attribute) (httk.core.project.manifests.ManifestVerification attribute) (httk.core.project.ManifestVerification attribute) (httk.core.project.sealing.SealVerification attribute) (httk.core.project.SealVerification attribute) (httk.workflow.manifests.ManifestVerification attribute) (httk.workflow.protocol.MarkerFault attribute) (httk.workflow.protocol.StateFrame property) (httk.workflow.vasp.VaspRemedyDecision attribute) receive_negotiation() (httk.serve.dsp.state.DspState method) receive_negotiation_termination() (httk.serve.dsp.DspProvider method) (httk.serve.dsp.provider.DspProvider method) receive_transfer() (httk.serve.dsp.state.DspState method) receive_transfer_completion() (httk.serve.dsp.DspProvider method) (httk.serve.dsp.provider.DspProvider method) receive_transfer_suspension() (httk.serve.dsp.DspProvider method) (httk.serve.dsp.provider.DspProvider method) receive_transfer_termination() (httk.serve.dsp.DspProvider method) (httk.serve.dsp.provider.DspProvider method) reciprocal() (httk.core.vectors.fracvector.FracVectorBase method) recognize_asu() (in module httk.atomistic) (in module httk.atomistic.symmetry.recognition) recognized_prefixes (httk.serve.optimade.backend.execution.StoreResults attribute) (httk.serve.optimade.backend.StoreResults attribute) (httk.serve.optimade.schema.served.ServedSchema attribute) recognized_response_fields (httk.serve.optimade.model.request.ValidatedRequest attribute) (httk.serve.optimade.model.ValidatedRequest attribute) (httk.serve.optimade.ValidatedRequest attribute) RecognizedProtostructure (class in httk.atomistic.models.protostructure.recognized) RecognizedPrototype (class in httk.atomistic.models.prototype.recognized) reconcile() (httk.workflow.executors.PathRunnerExecutor method) (httk.workflow.executors.RunnerExecutor method) record (httk.atomistic.Spacegroup property) (httk.atomistic.symmetry.Spacegroup property) (httk.atomistic.symmetry.spacegroup.Spacegroup property) (httk.core.optimade.entries.OptimadeEntryView property) (httk.core.optimade.OptimadeEntryView property) (httk.store.EntryRecordDeclaration attribute) (httk.store.storage_layout.EntryRecordDeclaration attribute) (httk.workflow.CollectedJob attribute) (httk.workflow.collecting.CollectedJob attribute) record_class (httk.core.optimade.CalculationView attribute) (httk.core.optimade.entries.CalculationView attribute) (httk.core.optimade.entries.FileView attribute) (httk.core.optimade.entries.OptimadeEntryView attribute) (httk.core.optimade.entries.ReferenceView attribute) (httk.core.optimade.FileView attribute) (httk.core.optimade.OptimadeEntryView attribute) (httk.core.optimade.ReferenceView attribute) record_definition_ids (httk.store.backend.sql.layout.EntryFamilyLayout attribute) (httk.store.storage_layout.EntryFamilyLayout attribute) record_length (httk.atomistic.integrations.vasp.io.wavecar.WavecarFile attribute) record_names (httk.store.backend.sql.layout.EntryFamilyLayout attribute) (httk.store.storage_layout.EntryFamilyLayout attribute) record_of() (in module httk.workflow.collecting) record_ref (httk.workflow.protocol.JournalFrame attribute) (httk.workflow.protocol.Marker attribute) (httk.workflow.protocol.RecordVerification attribute) record_type (httk.core.storage.identity.StorageProjectionCycleError attribute) (httk.core.storage.StorageProjectionCycleError attribute) RecordCell (class in httk.atomistic.models.cell.record) RecordComposition (class in httk.atomistic.models.formula.record) records (httk.core.project.Seal attribute) (httk.core.project.sealing.Seal attribute) (httk.core.report.ReportCollection attribute) (httk.store.backend.sql.layout.EntryFamilyLayout attribute) (httk.store.EntryFamilyDeclaration attribute) (httk.store.storage_layout.EntryFamilyDeclaration attribute) (httk.store.storage_layout.EntryFamilyLayout attribute) records() (httk.atomistic.entries.structures.StructureEntryProvider method) (httk.atomistic.entries.trajectories.TrajectoryEntryProvider method) (httk.atomistic.StructureEntryProvider method) (httk.atomistic.TrajectoryEntryProvider method) (httk.core.entry_provider.EntryProvider method) (httk.core.EntryProvider method) (httk.store.backend.mongo.entry_provider.StoreEntryProvider method) (httk.store.backend.mongo.stored_properties.MongoStoredPropertyPlan method) (httk.store.backend.sql.entry_provider.StoreEntryProvider method) (httk.store.backend.sql.stored_properties.StoredPropertySqlPlan method) (httk.store.DataRecordEntryProvider method) (httk.store.entry_providers.DataRecordEntryProvider method) (httk.store.entry_providers.RunEntryProvider method) (httk.store.entry_providers.StandardEntryProvider method) (httk.store.RunEntryProvider method) RECORDS_DEFINITION_ID (in module httk.core.data_records) RecordSites (class in httk.atomistic.models.sites.record) RecordSpecies (class in httk.atomistic.models.species.record) RecordStructure (class in httk.atomistic.models.structure) (class in httk.atomistic.models.structure.record) RecordTooLargeError RecordTrajectory (class in httk.atomistic.models.trajectory.record) RecordVerification (class in httk.workflow.protocol) recover() (httk.workflow.protocol.ReplayableWorkdirBatch static method) recover_transfers() (httk.workflow.Workspace method) (in module httk.workflow.transfers) redact_optimade_document_text() (in module httk.core.optimade) (in module httk.core.optimade.resources) redact_optimade_url() (in module httk.core.optimade) (in module httk.core.optimade.resources) reduced_coefficients() (in module httk.atomistic.models.formula) (in module httk.atomistic.models.formula.notation) reduced_coords (httk.atomistic.models.sites.api.SitesAPI property) (httk.atomistic.models.sites.numeric.NumericSites property) (httk.atomistic.models.sites.NumericSites property) (httk.atomistic.models.sites.plain.PlainSites property) (httk.atomistic.models.sites.PlainSites property) (httk.atomistic.models.sites.record.RecordSites property) (httk.atomistic.models.sites.Sites property) (httk.atomistic.models.sites.sites.Sites property) (httk.atomistic.models.sites.SitesAPI property) (httk.atomistic.Sites property) (httk.atomistic.storage.records.SitesRecord attribute) (httk.atomistic.storage.SitesRecord attribute) Reference (class in httk.core) (class in httk.core.entry_types) reference_frame_indexes (httk.atomistic.storage.records.TrajectoryRecord attribute) (httk.atomistic.storage.TrajectoryRecord attribute) (httk.atomistic.TrajectoryRecord attribute) reference_frame_structures (httk.atomistic.storage.records.TrajectoryRecord attribute) (httk.atomistic.storage.TrajectoryRecord attribute) (httk.atomistic.TrajectoryRecord attribute) reference_frames (httk.atomistic.integrations.vasp.trajectory.VASPTrajectory property) (httk.atomistic.integrations.vasp.VASPTrajectory property) (httk.atomistic.integrations.VASPTrajectory property) (httk.atomistic.JsonlTrajectory property) (httk.atomistic.models.trajectory.api.TrajectoryAPI property) (httk.atomistic.models.trajectory.jsonl.JsonlTrajectory property) (httk.atomistic.models.trajectory.JsonlTrajectory property) (httk.atomistic.models.trajectory.plain.PlainTrajectory property) (httk.atomistic.models.trajectory.PlainTrajectory property) (httk.atomistic.models.trajectory.record.RecordTrajectory property) (httk.atomistic.models.trajectory.Trajectory property) (httk.atomistic.models.trajectory.trajectory.Trajectory property) (httk.atomistic.models.trajectory.TrajectoryAPI property) (httk.atomistic.models.trajectory.TrajectoryView property) (httk.atomistic.models.trajectory.view.TrajectoryView property) (httk.atomistic.PlainTrajectory property) (httk.atomistic.Trajectory property) (httk.atomistic.TrajectoryView property) (httk.atomistic.VASPTrajectory property) referenced_classes() (httk.store.backend.schema.TableSchema method) ReferenceEntryProvider (class in httk.store) (class in httk.store.entry_providers) ReferenceView (class in httk.core.optimade) (class in httk.core.optimade.entries) referrers() (httk.store.backend.sql.graph.LogicalEdgeGraph method) referring() (httk.store.backend.mongo.store.MongoStore method) (httk.store.backend.sql.store.SqlStore method) refresh() (httk.serve.optimade.client.OptimadeStore method) (httk.serve.optimade.OptimadeStore method) refresh_heartbeat() (httk.store.backend.mongo.leases.Lease method) refresh_interval (httk.store.backend.mongo.leases.LeaseTiming attribute) refusals (httk.workflow.vasp.RemedyPolicy attribute) REFUSED (in module httk.workflow.shell_bridge) register() (httk.core.register.PluginRegistry method) (httk.serve.web.resources.SiteResources method) (httk.serve.web.SiteResources method) (httk.serve.web.widgets.assets.WidgetAssetRegistry method) (httk.serve.web.widgets.core.WidgetRegistry method) (httk.serve.web.widgets.WidgetRegistry method) register_canonical_encoder() (in module httk.core.storage) (in module httk.core.storage.identity) register_citation() (in module httk.core) (in module httk.core.citations) register_cli_command() (in module httk.core) (in module httk.core.register) (in module httk.core.register.cli) (in module httk.registry.cli.atomistic) (in module httk.registry.cli.core) (in module httk.registry.cli.job) (in module httk.registry.cli.serve) (in module httk.registry.cli.workflow) (in module httk.registry.cli.workspace) register_coercer() (in module httk.core.views) (in module httk.core.views.coercion) register_compression() (in module httk.core) (in module httk.core.datastream) (in module httk.core.datastream.compression) register_definition_prefix() (in module httk.core) (in module httk.core.property_definitions) register_entry_family() (in module httk.core) (in module httk.core.register) (in module httk.core.register.entries) (in module httk.registry.entries.atomistic) (in module httk.registry.entries.core) register_entry_provider() (in module httk.core) (in module httk.core.register) (in module httk.core.register.entries) (in module httk.registry.entries.atomistic) (in module httk.registry.entries.store) register_entry_record() (in module httk.core) (in module httk.core.register) (in module httk.core.register.entries) (in module httk.registry.entries.atomistic) (in module httk.registry.entries.core) register_entry_type_definition() (in module httk.core) (in module httk.core.register) (in module httk.core.register.schemas) (in module httk.registry.schemas.atomistic) (in module httk.registry.schemas.core) register_format_adapter() (in module httk.core) (in module httk.core.register) (in module httk.core.register.io) (in module httk.registry.io.atomistic) register_format_serializer() (in module httk.core) (in module httk.core.register) (in module httk.core.register.io) (in module httk.registry.io.atomistic) register_leaf_codec() (in module httk.core.vectors) (in module httk.core.vectors.leaf_codecs) register_many() (httk.serve.web.widgets.assets.WidgetAssetRegistry method) register_optimade_entry_binding() (in module httk.core) (in module httk.core.register) (in module httk.core.register.entries) (in module httk.registry.entries.atomistic) (in module httk.registry.entries.core) register_project_member() (in module httk.core.project) (in module httk.core.project.members) register_project_member_kind() (in module httk.core) (in module httk.core.register) (in module httk.core.register.members) (in module httk.registry.cli.project) register_property_definition() (in module httk.core) (in module httk.core.register) (in module httk.core.register.schemas) (in module httk.registry.schemas.atomistic) register_reader() (in module httk.core) (in module httk.core.register) (in module httk.core.register.io) (in module httk.registry.io.atomistic) register_remedy_policy() (in module httk.workflow.vasp) register_schema_override() (in module httk.store.backend.schema) register_value_codec() (in module httk.store.backend.codecs) register_workflow() (in module httk.workflow.scaffold) register_writer() (in module httk.core) (in module httk.core.register) (in module httk.core.register.io) (in module httk.registry.io.atomistic) registered_generation() (in module httk.core.building) registered_workflow() (in module httk.workflow.scaffold) registered_workflow_labels() (in module httk.workflow.scaffold) registered_workflows() (in module httk.workflow.scaffold) registration_id (httk.workflow.scaffold.ResolvedWorkflow attribute) reject_cursor_proxy() (in module httk.store.store_common) reject_text_native_compression() (in module httk.core.datastream.compression) Related (class in httk.core) (class in httk.core.storage) (class in httk.core.storage.markers) related (httk.store.backend.schema.FieldSpec attribute) related_property_resolver_factory() (in module httk.store.backend.sql.stored_federation) RelatedEntry (class in httk.core) (class in httk.core.entry_provider) RelatedPropertyResolver (in module httk.store.query.optimade_filters) RelatedResolver (in module httk.serve.optimade.endpoints.entries) RelatedResolverFactory (in module httk.store.backend.sql.stored_federation) relationship (httk.core.entry_provider.RelatedEntry attribute) (httk.core.RelatedEntry attribute) (httk.core.storage.markers.StrongLink attribute) (httk.core.storage.StrongLink attribute) (httk.core.StrongLink attribute) (httk.store.backend.mongo.evaluator.MongoScope attribute) relationship_id_handler() (in module httk.store.query.optimade_filters) relationship_sources (httk.store.backend.sql.stored_federation.StoredEntrySource attribute) relationships (httk.serve.optimade.backend.adapter.EntrySource attribute) (httk.serve.optimade.backend.EntrySource attribute) (httk.serve.optimade.EntrySource attribute) (httk.serve.optimade.model.ResultRow attribute) (httk.serve.optimade.model.results.ResultRow attribute) (httk.store.backend.sql.stored_federation.StoredEntryPage attribute) relationships() (httk.core.entry_provider.EntryProvider method) (httk.core.EntryProvider method) (httk.store.backend.mongo.entry_provider.StoreEntryProvider method) (httk.store.backend.sql.entry_provider.StoreEntryProvider method) (httk.store.DataRecordEntryProvider method) (httk.store.entry_providers.DataRecordEntryProvider method) (httk.store.entry_providers.RunEntryProvider method) (httk.store.entry_providers.StandardEntryProvider method) (httk.store.RunEntryProvider method) RelationshipSourceMap (class in httk.store.backend.sql.stored_properties) release() (httk.store.backend.mongo.leases.Lease method) release_automatic() (httk.serve.dsp.DspProvider method) (httk.serve.dsp.provider.DspProvider method) release_lease() (in module httk.store.backend.clickhouse.support) release_maintenance_lock() (in module httk.workflow.manifests) ReleaseCheck (class in httk.core.docs) (class in httk.core.docs.release) ReleaseError, [1] reload_app() (in module httk.serve.web.cli) relurl (httk.serve.optimade.model.RawRequest attribute) (httk.serve.optimade.model.request.RawRequest attribute) (httk.serve.optimade.RawRequest attribute) REMEDY_OPERATIONS (in module httk.workflow.vasp) remedy_policy() (in module httk.workflow.vasp) remedy_policy_names() (in module httk.workflow.vasp) RemedyPolicy (class in httk.workflow.vasp) REMOTE_DESCRIPTION_FORMAT (in module httk.workflow.hygiene) REMOTE_JOB_DELETE_COMMAND (in module httk.workflow.adapters) REMOTE_JOB_LIST_COMMAND (in module httk.workflow.adapters) REMOTE_JOB_LOG_COMMAND (in module httk.workflow.adapters) REMOTE_JOB_PUBLISH_REQUESTS_COMMAND (in module httk.workflow.adapters) REMOTE_JOB_REQUEST_ENVELOPES_COMMAND (in module httk.workflow.adapters) REMOTE_JOB_SHOW_COMMAND (in module httk.workflow.adapters) REMOTE_JOB_WHY_COMMAND (in module httk.workflow.adapters) REMOTE_MANAGER_COMMAND (in module httk.workflow.adapters) REMOTE_OFFER_COMMAND (in module httk.workflow.adapters) REMOTE_RECEIVE_COMMAND (in module httk.workflow.adapters) REMOTE_RETIRE_COMMAND (in module httk.workflow.adapters) remote_settings() (in module httk.workflow.adapters) REMOTE_STATUS_COMMAND (in module httk.workflow.adapters) REMOTE_WORKSPACE_DELETE_COMMAND (in module httk.workflow.adapters) REMOTE_WORKSPACE_FSCK_COMMAND (in module httk.workflow.adapters) REMOTE_WORKSPACE_GC_COMMAND (in module httk.workflow.adapters) REMOTE_WORKSPACE_INIT_COMMAND (in module httk.workflow.adapters) REMOTE_WORKSPACE_LIST_COMMAND (in module httk.workflow.adapters) REMOTE_WORKSPACE_MOVE_COMMAND (in module httk.workflow.adapters) REMOTE_WORKSPACE_SETTINGS_COMMAND (in module httk.workflow.adapters) REMOTE_WORKSPACE_WORKFLOW_PRELUDE_COMMAND (in module httk.workflow.adapters) RemoteEntryType (class in httk.serve.optimade) (class in httk.serve.optimade.client) RemoteResultColumn (class in httk.serve.optimade) (class in httk.serve.optimade.remote_query) RemoteResultSet (class in httk.serve.optimade) (class in httk.serve.optimade.remote_query) remotes_home() (in module httk.workflow.configuration) RemoteSearcher (class in httk.serve.optimade) (class in httk.serve.optimade.remote_query) RemoteTarget (class in httk.workflow.adapters) remove() (httk.workflow.Attempt method) (httk.workflow.protocol.TransactionBuilder method) (httk.workflow.sdk.Attempt method) remove_identity() (in module httk.core.identity) remove_remote() (in module httk.workflow.hygiene) render() (httk.serve.web.engine.site_engine.SiteEngine method) (httk.serve.web.engine.SiteEngine method) (httk.serve.web.renderers.base.Renderer method) (httk.serve.web.renderers.html.HtmlRenderer method) (httk.serve.web.renderers.HtmlRenderer method) (httk.serve.web.renderers.httkweb_compat.HttkwebCompatRenderer method) (httk.serve.web.renderers.HttkwebCompatRenderer method) (httk.serve.web.renderers.markdown.MarkdownRenderer method) (httk.serve.web.renderers.MarkdownRenderer method) (httk.serve.web.renderers.Renderer method) (httk.serve.web.renderers.rst.RstRenderer method) (httk.serve.web.renderers.RstRenderer method) (httk.serve.web.templating.base.TemplateEngine method) (httk.serve.web.templating.httk_compat.HttkCompatTemplateEngine method) (httk.serve.web.templating.HttkCompatTemplateEngine method) (httk.serve.web.templating.jinja2_engine.JinjaTemplateEngine method) (httk.serve.web.templating.JinjaTemplateEngine method) (httk.serve.web.templating.TemplateEngine method) (httk.serve.web.widgets.core.FunctionWidget method) (httk.serve.web.widgets.core.Widget method) (httk.serve.web.widgets.FunctionWidget method) (httk.serve.web.widgets.table.TableRuntime method) (httk.serve.web.widgets.table.TableWidget method) (httk.serve.web.widgets.Widget method) (in module httk.serve.web.widgets.optimade_fields) (in module httk.serve.web.widgets.optimade_table) render_aflow_label() (in module httk.atomistic.models.prototype.notation) render_anonymous() (in module httk.atomistic.models.formula) (in module httk.atomistic.models.formula.notation) render_fragment() (httk.serve.web.templating.base.TemplateEngine method) (httk.serve.web.templating.httk_compat.HttkCompatTemplateEngine method) (httk.serve.web.templating.HttkCompatTemplateEngine method) (httk.serve.web.templating.jinja2_engine.JinjaTemplateEngine method) (httk.serve.web.templating.JinjaTemplateEngine method) (httk.serve.web.templating.TemplateEngine method)

render_function (httk.serve.web.widgets.core.FunctionWidget attribute) (httk.serve.web.widgets.FunctionWidget attribute) render_mode (httk.serve.web.widgets.core.WidgetContext attribute) (httk.serve.web.widgets.WidgetContext attribute) render_protostructure_label() (in module httk.atomistic.models.prototype.notation) render_prototype_label() (in module httk.atomistic.models.prototype.notation) render_reduced() (in module httk.atomistic.models.formula) (in module httk.atomistic.models.formula.notation) render_template() (in module httk.workflow.runtime_utils) Renderer (class in httk.serve.web.renderers) (class in httk.serve.web.renderers.base) RENDERERS_BY_SUFFIX (in module httk.serve.web.renderers) RenderResult (class in httk.serve.web.renderers) (class in httk.serve.web.renderers.base) repair() (httk.core.project.members.ProjectMemberHandler method) (httk.core.project.ProjectMemberHandler method) repairable (httk.workflow.hygiene.Finding attribute) repaired (httk.store.backend.mongo.fsck.FsckCollectionSummary attribute) (httk.store.backend.sql.fsck.FsckTableSummary attribute) (httk.workflow.hygiene.Finding attribute) replace() (httk.store.backend.mongo.store.MongoStore method) (httk.store.backend.sql.store.SqlStore method) (httk.workflow.protocol.StateFrame class method) replay_transaction() (in module httk.workflow.protocol) ReplayableWorkdirBatch (class in httk.workflow.protocol) repoint_marker() (httk.workflow.Workspace method) report_marker_fault() (httk.workflow.Workspace method) ReportCollection (class in httk.core.report) ReportFilter (class in httk.core.report) repository (httk.core.docs.CommitSiteResult attribute) (httk.core.docs.gitsite.CommitSiteResult attribute) repository_url (httk.core.docs.config.InternalDependency attribute) (httk.core.docs.config.VersioningConfig attribute) (httk.core.docs.InternalDependency attribute) (httk.core.docs.VersioningConfig attribute) represent_like() (in module httk.atomistic) (in module httk.atomistic.symmetry.paths) representation (httk.serve.optimade.model.RawRequest attribute) (httk.serve.optimade.model.request.RawRequest attribute) (httk.serve.optimade.model.request.ValidatedRequest attribute) (httk.serve.optimade.model.ValidatedRequest attribute) (httk.serve.optimade.RawRequest attribute) (httk.serve.optimade.ValidatedRequest attribute) representative (httk.atomistic.models.protostructure.api.ProtostructureAPI property) (httk.atomistic.models.protostructure.label.ProtostructureLabel property) (httk.atomistic.models.protostructure.Protostructure property) (httk.atomistic.models.protostructure.protostructure.Protostructure property) (httk.atomistic.models.protostructure.ProtostructureAPI property) (httk.atomistic.models.protostructure.recognized.RecognizedProtostructure property) (httk.atomistic.models.prototype.api.PrototypeAPI property) (httk.atomistic.models.prototype.derived.DerivedPrototype property) (httk.atomistic.models.prototype.label.PrototypeLabel property) (httk.atomistic.models.prototype.label_string.PrototypeLabelString property) (httk.atomistic.models.prototype.Prototype property) (httk.atomistic.models.prototype.prototype.Prototype property) (httk.atomistic.models.prototype.PrototypeAPI property) (httk.atomistic.models.prototype.recognized.RecognizedPrototype property) (httk.atomistic.models.structure.asu.WyckoffSite attribute) (httk.atomistic.models.structure.WyckoffSite attribute) (httk.atomistic.Protostructure property) (httk.atomistic.ProtostructureLabel property) (httk.atomistic.ProtostructureRecord attribute) (httk.atomistic.Prototype property) (httk.atomistic.PrototypeLabel property) (httk.atomistic.PrototypeRecord attribute) (httk.atomistic.storage.ProtostructureRecord attribute) (httk.atomistic.storage.PrototypeRecord attribute) (httk.atomistic.storage.records.ProtostructureRecord attribute) (httk.atomistic.storage.records.PrototypeRecord attribute) (httk.atomistic.storage.records.WyckoffSiteRecord attribute) (httk.atomistic.storage.WyckoffSiteRecord attribute) (httk.atomistic.symmetry.wyckoff.WyckoffPosition property) (httk.atomistic.symmetry.WyckoffPosition property) (httk.atomistic.WyckoffPosition property) (httk.atomistic.WyckoffSite attribute) request (httk.core.datastream.bytestream_request.BytestreamRequest property) (httk.core.datastream.BytestreamRequest property) (httk.core.datastream.textstream_request.TextstreamRequest property) (httk.core.datastream.TextstreamRequest property) (httk.serve.http.openapi.app.OpenAPIRequestError attribute) (httk.serve.http.openapi.OpenAPIRequestError attribute) request_delay (httk.serve.optimade.model.config.OptimadeConfig attribute) (httk.serve.optimade.model.OptimadeConfig attribute) (httk.serve.optimade.OptimadeConfig attribute) REQUEST_FORMAT (in module httk.workflow.adapters) request_id (httk.serve.optimade.model.RawRequest attribute) (httk.serve.optimade.model.request.RawRequest attribute) (httk.serve.optimade.model.request.ValidatedRequest attribute) (httk.serve.optimade.model.ValidatedRequest attribute) (httk.serve.optimade.RawRequest attribute) (httk.serve.optimade.ValidatedRequest attribute) request_immutable_id (httk.serve.optimade.model.request.ValidatedRequest attribute) (httk.serve.optimade.model.ValidatedRequest attribute) (httk.serve.optimade.ValidatedRequest attribute) request_negotiation() (httk.serve.dsp.DspProvider method) (httk.serve.dsp.provider.DspProvider method) request_schema (httk.serve.http.openapi.app.OpenAPIOperation attribute) (httk.serve.http.openapi.OpenAPIOperation attribute) request_transfer() (httk.serve.dsp.DspProvider method) (httk.serve.dsp.provider.DspProvider method) requested_base_url (httk.serve.optimade.client.OptimadeStore attribute) (httk.serve.optimade.OptimadeStore attribute) requested_logical_id (httk.store.backend.sql.store.EntryIdConflictError attribute) (httk.store.EntryIdConflictError attribute) (httk.store.store_common.EntryIdConflictError attribute) RequestedSlice (class in httk.serve.optimade.model.request) RequestErrorHandler (in module httk.serve.http.openapi) (in module httk.serve.http.openapi.app) RequestScope (in module httk.serve.http.openapi) (in module httk.serve.http.openapi.app) require() (httk.core.register.PluginRegistry method) require_anonymizable() (in module httk.atomistic.models.structuretype.anonymize) require_network_consent() (in module httk.core.datastream.network_policy) require_project() (in module httk.core.project) (in module httk.core.project.anchor) (in module httk.workflow.projects) required (httk.serve.http.openapi.app.OpenAPIParameter attribute) (httk.serve.http.openapi.OpenAPIParameter attribute) (httk.workflow.supervision.CheckerSpec attribute) required_capabilities (httk.workflow.ChildSpec attribute) (httk.workflow.languages.cwl.LanguageScaffold attribute) (httk.workflow.languages.httk_v1.LanguageScaffold attribute) (httk.workflow.languages.jobflow.LanguageScaffold attribute) (httk.workflow.languages.LanguageScaffold attribute) (httk.workflow.languages.pwd.LanguageScaffold attribute) (httk.workflow.protocol.JobDefinition attribute) (httk.workflow.protocol.JobSpec attribute) (httk.workflow.sdk.ChildSpec attribute) required_modules (httk.workflow.languages.cwl.WorkflowLanguage attribute) (httk.workflow.languages.httk_v1.WorkflowLanguage attribute) (httk.workflow.languages.jobflow.WorkflowLanguage attribute) (httk.workflow.languages.pwd.WorkflowLanguage attribute) (httk.workflow.languages.WorkflowLanguage attribute) required_response_fields (httk.serve.optimade.schema.served.ServedSchema attribute) requirements (httk.core.property_definitions.PropertyDefinition property) (httk.core.PropertyDefinition property) rerepresent() (in module httk.atomistic) (in module httk.atomistic.symmetry.lift) reserve_negotiation() (httk.serve.dsp.state.DspState method) reserve_transfer() (httk.serve.dsp.state.DspState method) reserved_parameters (httk.workflow.languages.cwl.LanguageScaffold attribute) (httk.workflow.languages.httk_v1.LanguageScaffold attribute) (httk.workflow.languages.jobflow.LanguageScaffold attribute) (httk.workflow.languages.LanguageScaffold attribute) (httk.workflow.languages.pwd.LanguageScaffold attribute) reset_reporting() (in module httk.core.report) residual (httk.atomistic.LiftResult attribute) (httk.atomistic.symmetry.lift.LiftResult attribute) ResolutionMiss resolve() (httk.atomistic.ASUStructureView method) (httk.atomistic.DatastreamStructure method) (httk.atomistic.integrations.vasp.structure.VASPStructure method) (httk.atomistic.integrations.vasp.VASPStructure method) (httk.atomistic.integrations.VASPStructure method) (httk.atomistic.models.protostructure.recognized.RecognizedProtostructure method) (httk.atomistic.models.prototype.derived.DerivedPrototype method) (httk.atomistic.models.prototype.recognized.RecognizedPrototype method) (httk.atomistic.models.structure.asu_view.ASUStructureView method) (httk.atomistic.models.structure.datastream.DatastreamStructure method) (httk.atomistic.models.structure.DatastreamStructure method) (httk.atomistic.models.structuretype.anonymized.AnonymizedStructure method) (httk.atomistic.VASPStructure method) (httk.core.register.cli.CLICommand method) (httk.core.register.CLICommand method) (httk.serve.web.engine.site_engine.SiteEngine method) (httk.serve.web.engine.SiteEngine method) (httk.serve.web.widgets.core.WidgetRegistry method) (httk.serve.web.widgets.loader.SiteWidgetLoader method) (httk.serve.web.widgets.SiteWidgetLoader method) (httk.serve.web.widgets.WidgetRegistry method) resolve_access_url() (httk.serve.dsp.config.DspProviderConfig method) (httk.serve.dsp.DspProviderConfig method) resolve_backend() (httk.core.register.entries.OptimadeEntryBinding method) (httk.core.register.OptimadeEntryBinding method) resolve_callable() (in module httk.core.register) resolve_entry_family() (in module httk.core.register) (in module httk.core.register.entries) resolve_entry_record() (in module httk.core.register) (in module httk.core.register.entries) resolve_level() (in module httk.core.report) resolve_operator_identity() (in module httk.core.identity) resolve_property_decoder() (httk.core.register.entries.OptimadeEntryBinding method) (httk.core.register.OptimadeEntryBinding method) resolve_remote() (in module httk.workflow.adapters) resolve_route() (in module httk.serve.web.engine.discovery) resolve_schema() (in module httk.store.backend.schema) resolve_seal_keys() (in module httk.core.project) (in module httk.core.project.sealing) resolve_storage_record() (in module httk.core.storage) (in module httk.core.storage.identity) resolve_template() (in module httk.core.project.templates) resolve_timeout() (in module httk.core.datastream.network_policy) resolve_trusted_keys() (in module httk.core.project) (in module httk.core.project.manifests) resolve_view() (httk.core.register.entries.OptimadeEntryBinding method) (httk.core.register.OptimadeEntryBinding method) resolve_workflow() (in module httk.workflow.scaffold) resolved_sid() (httk.store.backend.sql.bulk.BulkIngest method) ResolvedRoute (class in httk.serve.web.model) (class in httk.serve.web.model.page) ResolvedWorkflow (class in httk.workflow.scaffold) resource (httk.atomistic.models.structure.optimade.OptimadeStructure attribute) (httk.atomistic.models.structure.OptimadeStructure attribute) (httk.atomistic.OptimadeStructure attribute) (httk.core.optimade.entries.OptimadeEntryBackend attribute) (httk.core.optimade.OptimadeEntryBackend attribute) resources (httk.serve.web.engine.site_engine.SiteEngine attribute) (httk.serve.web.engine.SiteEngine attribute) (httk.workflow.ChildSpec attribute) (httk.workflow.protocol.AttemptContext attribute) (httk.workflow.protocol.JobDefinition attribute) (httk.workflow.protocol.JobSpec attribute) (httk.workflow.protocol.StateFrame property) (httk.workflow.runtime.AttemptContext attribute) (httk.workflow.scaffold.ResolvedWorkflow attribute) (httk.workflow.scaffold.WorkflowProvider attribute) (httk.workflow.sdk.ChildSpec attribute) (httk.workflow.TaskManager attribute) response (httk.core.storage.stored_properties.StoredPropertyProjection attribute) (httk.core.storage.StoredPropertyProjection attribute) response_code (httk.serve.optimade.EndpointResponse attribute) (httk.serve.optimade.model.EndpointResponse attribute) (httk.serve.optimade.model.errors.OptimadeError attribute) (httk.serve.optimade.model.OptimadeError attribute) (httk.serve.optimade.model.request.EndpointResponse attribute) (httk.serve.optimade.OptimadeError attribute) response_contracts() (httk.serve.http.openapi.app.OpenAPIOperation method) (httk.serve.http.openapi.OpenAPIOperation method) response_fields (httk.serve.optimade.backend.execution.StoreResults attribute) (httk.serve.optimade.backend.StoreResults attribute) (httk.serve.optimade.client.OptimadeStore attribute) (httk.serve.optimade.model.request.ValidatedParameters attribute) (httk.serve.optimade.model.ValidatedParameters attribute) (httk.serve.optimade.OptimadeStore attribute) (httk.serve.optimade.ValidatedParameters attribute) response_format (httk.serve.optimade.model.request.ValidatedParameters attribute) (httk.serve.optimade.model.ValidatedParameters attribute) (httk.serve.optimade.ValidatedParameters attribute) response_msg (httk.serve.optimade.EndpointResponse attribute) (httk.serve.optimade.model.EndpointResponse attribute) (httk.serve.optimade.model.errors.OptimadeError attribute) (httk.serve.optimade.model.OptimadeError attribute) (httk.serve.optimade.model.request.EndpointResponse attribute) (httk.serve.optimade.OptimadeError attribute) response_row() (httk.store.backend.mongo.stored_properties.MongoStoredPropertyPlan method) (httk.store.backend.sql.stored_properties.StoredPropertySqlPlan method) ResponseHook (in module httk.serve.http) (in module httk.serve.http.apptypes) (in module httk.serve.http.openapi) responses (httk.serve.http.openapi.app.OpenAPIOperation attribute) (httk.serve.http.openapi.OpenAPIOperation attribute) RESULT_FORMAT (in module httk.workflow.adapters) ResultColumn (class in httk.store.backend.sql.results) ResultPage (class in httk.store) (class in httk.store.query) (class in httk.store.query.protocols) ResultRow (class in httk.serve.optimade.model) (class in httk.serve.optimade.model.results) (class in httk.store) (class in httk.store.backend.sql) (class in httk.store.backend.sql.results) (class in httk.store.query) (class in httk.store.query.protocols) ResultRowLike (class in httk.store) (class in httk.store.query) (class in httk.store.query.protocols) results() (httk.serve.optimade.backend.memory_store.MemorySearcher method) (httk.serve.optimade.backend.protocols.Searcher method) (httk.serve.optimade.backend.Searcher method) (httk.serve.optimade.remote_query.RemoteSearcher method) (httk.serve.optimade.RemoteSearcher method) (httk.store.backend.mongo.searcher.MongoSearcher method) (httk.store.backend.sql.searcher.SqlSearcher method) (httk.store.federated_store.FederatedSearcher method) (httk.store.FederatedSearcher method) (httk.store.query.protocols.Searcher method) (httk.store.query.Searcher method) (httk.store.Searcher method) ResultSetLike (class in httk.store) (class in httk.store.query) (class in httk.store.query.protocols) resume() (httk.workflow.protocol.TransactionBuilder class method) resume_transfer() (httk.serve.dsp.DspProvider method) (httk.serve.dsp.provider.DspProvider method) retention (httk.workflow.protocol.WorkspacePolicy attribute) RetentionPolicy (class in httk.workflow.protocol) retire_transfers() (in module httk.workflow.transfers) RETRACTED_COLUMN (in module httk.store.backend.sql.mapping) retry() (httk.workflow.Attempt method) (httk.workflow.sdk.Attempt method) retry_count (httk.serve.dsp.DeliveryStatus attribute) (httk.serve.dsp.models.DeliveryStatus attribute) retry_on (httk.workflow.ChildSpec attribute) (httk.workflow.protocol.JobSpec attribute) (httk.workflow.protocol.RetryPolicy attribute) (httk.workflow.sdk.ChildSpec attribute) retry_policy (httk.workflow.protocol.JobDefinition attribute) retryable (httk.workflow.protocol.Failure attribute) RetryPolicy (class in httk.workflow.protocol) returncode (httk.workflow.runtime.CommandResult attribute) (httk.workflow.supervision.ProcessReport attribute) reverse (httk.core.storage.markers.StrongLink attribute) (httk.core.storage.StrongLink attribute) (httk.core.StrongLink attribute) reverse_prefixes (httk.store.backend.sql.stored_properties.RelationshipSourceMap attribute) reverse_relationships() (httk.core.entry_provider.EntryProvider method) (httk.core.EntryProvider method) (httk.store.entry_providers.RunEntryProvider method) (httk.store.RunEntryProvider method) reverse_run_edges() (in module httk.store.backend.sql.provenance_edges) revision (httk.serve.web.providers.TablePage attribute) (httk.serve.web.providers.TableRequest attribute) (httk.serve.web.TablePage attribute) (httk.serve.web.TableRequest attribute) revision_base (httk.serve.optimade.schema.served.ServedSchema attribute) revision_endpoints (httk.serve.optimade.schema.served.ServedSchema attribute) revisions (httk.serve.optimade.model.request.ValidatedRequest attribute) (httk.serve.optimade.model.ValidatedRequest attribute) (httk.serve.optimade.ValidatedRequest attribute) right (httk.store.backend.mongo.searcher.AndNode attribute) (httk.store.backend.mongo.searcher.OrNode attribute) role (httk.core.entry_provider.RelatedEntry attribute) (httk.core.Related attribute) (httk.core.RelatedEntry attribute) (httk.core.storage.markers.Related attribute) (httk.core.storage.markers.StrongLink attribute) (httk.core.storage.markers.WeakLink attribute) (httk.core.storage.Related attribute) (httk.core.storage.StrongLink attribute) (httk.core.storage.WeakLink attribute) (httk.core.StrongLink attribute) (httk.core.WeakLink attribute) (httk.store.backend.mongo.mapping.DocumentFieldSpec attribute) (httk.store.backend.schema.FieldSpec attribute) (httk.store.backend.schema.LinkSpec attribute) ROLE_COLUMN (in module httk.store.backend.sql.mapping) root (httk.core.plugins.installed.InstalledPlugin attribute) (httk.core.plugins.installed.PluginManifest attribute) (httk.core.plugins.InstalledPlugin attribute) (httk.core.plugins.manifest.PluginManifest attribute) (httk.core.plugins.PluginManifest attribute) (httk.core.project.anchor.LegacyProjectError attribute) (httk.core.project.LegacyProjectError attribute) (httk.core.project.templates.ProjectTemplate attribute) (httk.workflow.projects.LegacyProjectError attribute) (httk.workflow.protocol.OutcomeDraft attribute) (httk.workflow.protocol.ReplayableWorkdirBatch attribute) (httk.workflow.protocol.TransactionBuilder attribute) (httk.workflow.Workspace attribute) root_occurrences (httk.store.backend.sql.bulk_deferred.DeferredFinalizer attribute) root_redirect_html() (in module httk.core.docs) (in module httk.core.docs.redirect) root_stage (httk.store.backend.sql.bulk_deferred.DeferredFinalizer attribute) route (httk.serve.web.model.page.ResolvedRoute attribute) (httk.serve.web.model.ResolvedRoute attribute) (httk.serve.web.ProviderContext attribute) (httk.serve.web.providers.ProviderContext attribute) (httk.serve.web.widgets.core.WidgetContext attribute) (httk.serve.web.widgets.WidgetContext attribute) Row (in module httk.serve.optimade.backend.memory_store) row() (httk.store.backend.sql.rows.RowHydrator method) row_class() (in module httk.store.backend.sql.rows) RowHydrator (class in httk.store.backend.sql.rows) rows (httk.atomistic.integrations.vasp.io.ElasticModuliBlock attribute) (httk.atomistic.integrations.vasp.io.outcar.ElasticModuliBlock attribute) (httk.core.Shape attribute) (httk.core.storage.markers.Shape attribute) (httk.core.storage.Shape attribute) (httk.serve.web.providers.TablePage attribute) (httk.serve.web.TablePage attribute) (httk.store.backend.sql.stored_federation.StoredEntryPage attribute) (httk.store.query.protocols.ResultPage attribute) (httk.store.query.ResultPage attribute) (httk.store.ResultPage attribute) RstRenderer (class in httk.serve.web.renderers) (class in httk.serve.web.renderers.rst) Run (class in httk.core) (class in httk.core.provenance) run (httk.workflow.CollectedJob attribute) (httk.workflow.collecting.CollectedJob attribute) run() (httk.store.backend.sql.bulk_deferred.DeferredFinalizer method) (httk.workflow.Attempt method) (httk.workflow.sdk.Attempt method) (httk.workflow.supervision.ProcessSupervisor method) run_adapter() (in module httk.workflow.adapters) run_command() (in module httk.workflow.runtime) run_dev_server() (in module httk.serve.optimade.runtime) (in module httk.serve.optimade.runtime.devserver) (in module httk.serve.web.runtime.devserver) run_directory() (in module httk.workflow.compat.v1) run_fsck() (in module httk.store.backend.mongo.fsck) (in module httk.store.backend.sql.fsck) run_record() (in module httk.workflow.provenance) run_until_idle() (httk.workflow.TaskManager method) run_vasp() (in module httk.workflow.vasp) rundir (httk.workflow.compat.v1.V1FinishedTask attribute) RunEdge (class in httk.core) (class in httk.core.provenance) RunEntry (class in httk.core) (class in httk.core.provenance) RunEntryProvider (class in httk.store) (class in httk.store.entry_providers) RunLog (class in httk.workflow.protocol) Runner (class in httk.workflow) (class in httk.workflow.sdk) runner (httk.workflow.ChildSpec attribute) (httk.workflow.executors.AttemptLaunch attribute) (httk.workflow.languages.cwl.LanguageScaffold attribute) (httk.workflow.languages.httk_v1.LanguageScaffold attribute) (httk.workflow.languages.jobflow.LanguageScaffold attribute) (httk.workflow.languages.LanguageScaffold attribute) (httk.workflow.languages.pwd.LanguageScaffold attribute) (httk.workflow.scaffold.ScaffoldedJob attribute) (httk.workflow.ScaffoldedJob attribute) (httk.workflow.sdk.ChildSpec attribute) RUNNER (in module httk.workflow.languages.cwl) (in module httk.workflow.languages.httk_v1) (in module httk.workflow.languages.jobflow) (in module httk.workflow.languages.pwd) runner_arguments (httk.workflow.protocol.JobDefinition attribute) (httk.workflow.protocol.JobSpec attribute) runner_builds (httk.workflow.Workspace attribute) runner_command (httk.workflow.executors.AttemptLaunch property) runner_description (httk.workflow.collecting.JobRecord attribute) (httk.workflow.JobRecord attribute) RUNNER_DESCRIPTION_FORMAT (in module httk.workflow.sdk) RUNNER_ERROR_FORMAT (in module httk.workflow.sdk) runner_executor (httk.workflow.languages.cwl.LanguageScaffold attribute) (httk.workflow.languages.httk_v1.LanguageScaffold attribute) (httk.workflow.languages.jobflow.LanguageScaffold attribute) (httk.workflow.languages.LanguageScaffold attribute) (httk.workflow.languages.pwd.LanguageScaffold attribute) (httk.workflow.protocol.JobDefinition attribute) (httk.workflow.protocol.JobSpec attribute) runner_file (httk.workflow.scaffold.WorkflowProvider attribute) runner_modules (httk.workflow.TaskManager attribute) runner_options (httk.workflow.languages.cwl.LanguageRequest attribute) (httk.workflow.languages.httk_v1.LanguageRequest attribute) (httk.workflow.languages.jobflow.LanguageRequest attribute) (httk.workflow.languages.LanguageRequest attribute) (httk.workflow.languages.pwd.LanguageRequest attribute) (httk.workflow.scaffold.ResolvedWorkflow attribute) (httk.workflow.scaffold.WorkflowProvider attribute) runner_package (httk.workflow.scaffold.ResolvedWorkflow attribute) (httk.workflow.scaffold.WorkflowProvider attribute) runner_path (httk.workflow.protocol.JobDefinition attribute) (httk.workflow.protocol.JobSpec attribute) runner_path() (in module httk.workflow.languages) runner_provenance (httk.workflow.collecting.JobRecord attribute) (httk.workflow.JobRecord attribute) runner_provenance() (in module httk.workflow.collecting) runner_reference() (in module httk.workflow.languages) (in module httk.workflow.languages.cwl) (in module httk.workflow.languages.httk_v1) (in module httk.workflow.languages.jobflow) (in module httk.workflow.languages.pwd) runner_search_paths (httk.workflow.TaskManager attribute) runner_sha256 (httk.workflow.protocol.JobDefinition attribute) (httk.workflow.protocol.JobSpec attribute) runner_source (httk.workflow.protocol.JobDefinition attribute) (httk.workflow.protocol.JobSpec attribute) RUNNER_SOURCES (in module httk.workflow.protocol) runner_steps (httk.workflow.collecting.JobRecord attribute) (httk.workflow.JobRecord attribute) RUNNER_STEPS_VARIABLE (in module httk.workflow.shell_bridge) runner_store_path() (httk.workflow.Workspace method) RUNNER_WORKFLOW_VARIABLE (in module httk.workflow.shell_bridge) RunnerExecutor (class in httk.workflow.executors) RunnerRef (class in httk.workflow) (class in httk.workflow.sdk) RunnerResolutionError, [1], [2] runners (httk.workflow.Workspace attribute) RUNS_DEFINITION_ID (in module httk.core.provenance) RYTOEV (in module httk.atomistic.wavefunction)

S

s (httk.core.datastream.textstream_string.TextstreamString attribute) (httk.core.datastream.TextstreamString attribute) same_crystal() (in module httk.atomistic) (in module httk.atomistic.models.structure) (in module httk.atomistic.models.structure.comparison) save() (httk.store.backend.mongo.store.MongoStore method) (httk.store.backend.sql.bulk.BulkIngest method) (httk.store.backend.sql.store.SqlStore method) (in module httk.core) (in module httk.core.saving) save_vesta() (in module httk.atomistic) (in module httk.atomistic.wavefunction) SaveProjection (class in httk.store.store_common) scaffold_job() (in module httk.workflow) (in module httk.workflow.scaffold) ScaffoldedJob (class in httk.workflow) (class in httk.workflow.scaffold) scalar_child (httk.store.backend.mongo.evaluator.MongoScope attribute) ScalarKind (in module httk.store.backend.codecs) (in module httk.store.backend.schema) ScalarLike (in module httk.core) (in module httk.core.vectors) (in module httk.core.vectors.scalar_like) scalars() (httk.serve.optimade.backend.memory_store.MemoryResultSet method) (httk.serve.optimade.remote_query.RemoteResultSet method) (httk.serve.optimade.RemoteResultSet method) (httk.store.backend.mongo.results.MongoResultSet method) (httk.store.backend.sql.results.SqlResultSet method) (httk.store.federated_store.FederatedResultSet method) (httk.store.FederatedResultSet method) (httk.store.query.protocols.ResultSetLike method) (httk.store.query.ResultSetLike method) (httk.store.ResultSetLike method) scale (httk.atomistic.Cell property) (httk.atomistic.CellParams property) (httk.atomistic.integrations.vasp.io.xdatcar.XdatcarFile property) (httk.atomistic.integrations.vasp.io.XdatcarFile property) (httk.atomistic.models.cell.api.CellAPI property) (httk.atomistic.models.cell.Cell property) (httk.atomistic.models.cell.cell.Cell property) (httk.atomistic.models.cell.CellAPI property) (httk.atomistic.models.cell.CellParams property) (httk.atomistic.models.cell.numeric.NumericCell property) (httk.atomistic.models.cell.NumericCell property) (httk.atomistic.models.cell.params.CellParams property) (httk.atomistic.models.cell.plain.PlainCell property) (httk.atomistic.models.cell.PlainCell property) (httk.atomistic.models.cell.record.RecordCell property) (httk.workflow.vasp.PoscarHeader attribute) scale_poscar_lattice() (in module httk.workflow.vasp) scaled_exact_equal() (httk.core.storage.QueryContext method) (httk.core.storage.stored_properties.QueryContext method) scan_marker_entries() (httk.workflow.Workspace method) scan_markers() (httk.workflow.Workspace method) scan_project() (httk.core.project.members.ProjectMemberHandler method) (httk.core.project.ProjectMemberHandler method) schema (httk.core.optimade.OptimadeResource attribute) (httk.core.optimade.resources.OptimadeResource attribute) (httk.serve.optimade.backend.adapter.BackendAdapter attribute) (httk.serve.optimade.backend.BackendAdapter attribute) (httk.serve.optimade.backend.StoredBackendAdapter attribute) (httk.serve.optimade.backend.stores.StoredBackendAdapter attribute) (httk.serve.optimade.BackendAdapter attribute) (httk.serve.optimade.client.RemoteEntryType attribute) (httk.serve.optimade.model.OptimadeAdapter property) (httk.serve.optimade.model.results.OptimadeAdapter property) (httk.serve.optimade.RemoteEntryType attribute) (httk.serve.optimade.StoredBackendAdapter attribute) (httk.store.backend.mongo.evaluator.MongoScope attribute) (httk.store.backend.sql.provenance_edges.StrongLinkFamily attribute) schema_fingerprint_diff() (in module httk.store.storage_layout) schema_fingerprint_json() (in module httk.store.storage_layout) schema_url (httk.serve.optimade.model.config.OptimadeConfig attribute) (httk.serve.optimade.model.OptimadeConfig attribute) (httk.serve.optimade.OptimadeConfig attribute) SchemaError schemas (httk.serve.http.openapi.contract.OpenAPIContract attribute) (httk.serve.http.openapi.OpenAPIContract attribute) school (httk.core.entry_types.Reference attribute) (httk.core.Reference attribute) scope (httk.store.backend.mongo.evaluator.MongoValue attribute) scope() (httk.core.storage.QueryScope method) (httk.core.storage.stored_properties.QueryScope method) (httk.store.backend.mongo.evaluator.MongoScope method) Seal (class in httk.core.project) (class in httk.core.project.sealing) seal() (httk.workflow.protocol.ReplayableWorkdirBatch method) (httk.workflow.protocol.TransactionBuilder method) seal_digest() (httk.core.project.members.ProjectMemberHandler method) (httk.core.project.ProjectMemberHandler method) seal_project() (in module httk.core.project) (in module httk.core.project.sealing) SealedError, [1], [2] SealError, [1], [2] SealKey (in module httk.core.project.sealing) SealKeys (class in httk.core.project) (class in httk.core.project.sealing) SealReport (class in httk.core.project) (class in httk.core.project.sealing) SealVerification (class in httk.core.project) (class in httk.core.project.sealing) Searcher (class in httk.serve.optimade.backend) (class in httk.serve.optimade.backend.protocols) (class in httk.store) (class in httk.store.query) (class in httk.store.query.protocols) searcher (httk.store.backend.mongo.stored_properties.MongoStoredPropertyCandidateStream attribute) (httk.store.backend.sql.stored_properties.StoredPropertySqlCandidateStream attribute) searcher() (httk.serve.optimade.backend.InMemoryStore method) (httk.serve.optimade.backend.memory_store.InMemoryStore method) (httk.serve.optimade.backend.protocols.Store method) (httk.serve.optimade.backend.Store method) (httk.serve.optimade.client.OptimadeStore method) (httk.serve.optimade.InMemoryStore method) (httk.serve.optimade.OptimadeStore method) (httk.store.backend.mongo.store.MongoStore method) (httk.store.backend.sql.store.SqlStore method) (httk.store.EntryStore method) (httk.store.federated_store.FederatedStore method) (httk.store.FederatedStore method) (httk.store.query.protocols.Store method) (httk.store.query.Store method) (httk.store.Store method) (httk.store.store_common.EntryStore method) SearchExpression (class in httk.serve.optimade.backend) (class in httk.serve.optimade.backend.protocols) (class in httk.store) (class in httk.store.query) (class in httk.store.query.protocols) SearchField (class in httk.serve.optimade.backend) (class in httk.serve.optimade.backend.protocols) (class in httk.store) (class in httk.store.query) (class in httk.store.query.protocols) SearchResult (class in httk.serve.optimade.backend) (class in httk.serve.optimade.backend.protocols) (class in httk.store) (class in httk.store.query) (class in httk.store.query.protocols) SearchVariable (class in httk.serve.optimade.backend) (class in httk.serve.optimade.backend.protocols) (class in httk.store) (class in httk.store.query) (class in httk.store.query.protocols) second (httk.atomistic.symmetry.paths.CommonSubgroupResult attribute) seed_application_settings() (in module httk.workflow.adapters) seed_path (httk.core.identity.OperatorIdentity attribute) SEED_SETTING_MAP (in module httk.workflow.adapters) seed_settings() (httk.workflow.Workspace method) seek() (httk.core.BytestreamFileView method) (httk.core.datastream.bytestream_common.BytestreamCommon method) (httk.core.datastream.bytestream_file_view.BytestreamFileView method) (httk.core.datastream.BytestreamCommon method) (httk.core.datastream.BytestreamFileView method) (httk.core.datastream.textstream_common.TextstreamCommon method) (httk.core.datastream.textstream_file_view.TextstreamFileView method) (httk.core.datastream.TextstreamCommon method) (httk.core.datastream.TextstreamFileView method) (httk.core.TextstreamFileView method) seekable() (httk.core.BytestreamFileView method) (httk.core.datastream.bytestream_file_view.BytestreamFileView method) (httk.core.datastream.BytestreamFileView method) (httk.core.datastream.textstream_file_view.TextstreamFileView method) (httk.core.datastream.TextstreamFileView method) (httk.core.TextstreamFileView method) segment (httk.workflow.protocol.JournalFrame attribute) segment_path() (in module httk.workflow.protocol) select() (httk.atomistic.PlaneWaveFunctions method) (httk.atomistic.wavefunction.PlaneWaveFunctions method) (httk.workflow.protocol.StateFrame method) select_catalogue_representation() (httk.serve.dsp.catalogue.DspCataloguePolicy method) (httk.serve.dsp.catalogue.MinimalDspCataloguePolicy method) (httk.serve.dsp.DspCataloguePolicy method) (httk.serve.dsp.DspProvider method) (httk.serve.dsp.MinimalDspCataloguePolicy method) (httk.serve.dsp.provider.DspProvider method) select_transfer_jobs() (in module httk.workflow.transfers) selective_dynamics (httk.atomistic.integrations.vasp.structure.VASPStructure property) (httk.atomistic.integrations.vasp.VASPStructure property) (httk.atomistic.integrations.VASPStructure property) (httk.atomistic.VASPStructure property) selector_config_literal() (in module httk.core.docs.sphinx_ext) send_agreement() (httk.serve.dsp.DspProvider method) (httk.serve.dsp.provider.DspProvider method) send_offer() (httk.serve.dsp.DspProvider method) (httk.serve.dsp.provider.DspProvider method) sequences (httk.workflow.vasp.RemedyPolicy attribute) serial_stage_format (httk.store.backend.sql.layout.BackendFacts attribute) serialize_agreement() (in module httk.serve.dsp.serializers) serialize_catalogue() (httk.serve.dsp.catalogue.DspCataloguePolicy method) (httk.serve.dsp.catalogue.MinimalDspCataloguePolicy method) (httk.serve.dsp.DspCataloguePolicy method) (httk.serve.dsp.MinimalDspCataloguePolicy method) serialize_data_service() (in module httk.serve.dsp.serializers) serialize_dataset() (httk.serve.dsp.catalogue.DspCataloguePolicy method) (httk.serve.dsp.catalogue.MinimalDspCataloguePolicy method) (httk.serve.dsp.DspCataloguePolicy method) (httk.serve.dsp.MinimalDspCataloguePolicy method) serialize_dcat_catalogue() (in module httk.serve.dsp.serializers) serialize_distribution() (in module httk.serve.dsp.serializers) serialize_dsp_catalogue() (in module httk.serve.dsp.serializers) serialize_dsp_dataset() (in module httk.serve.dsp.serializers) serialize_dsp_dataset_document() (in module httk.serve.dsp.serializers) serialize_negotiation() (in module httk.serve.dsp.serializers) serialize_offer() (httk.serve.dsp.catalogue.DspCataloguePolicy method) (httk.serve.dsp.catalogue.MinimalDspCataloguePolicy method) (httk.serve.dsp.DspCataloguePolicy method) (httk.serve.dsp.MinimalDspCataloguePolicy method) serialize_transfer() (in module httk.serve.dsp.serializers) series (httk.core.entry_types.Reference attribute) (httk.core.Reference attribute) (httk.store.EntryIdScheme attribute) (httk.store.store_common.EntryIdScheme attribute) serve (httk.core.Related attribute) (httk.core.storage.markers.Related attribute) (httk.core.storage.Related attribute) serve() (httk.workflow.TaskManager method) (in module httk.serve.optimade) (in module httk.serve.optimade.api) (in module httk.serve.web) (in module httk.serve.web.api) ServeApp (in module httk.serve) (in module httk.serve.http) (in module httk.serve.http.apptypes) (in module httk.serve.http.openapi) served_form() (httk.core.EntryTypeDefinition method) (httk.core.property_definitions.EntryTypeDefinition method) served_specs() (in module httk.store.backend.mongo.entry_provider) (in module httk.store.backend.sql.entry_provider) (in module httk.store.served_specs) ServedSchema (class in httk.serve.optimade.schema.served) server_version (httk.store.backend.sql.engine.Backend property) serves_dataset_ids (httk.core.Service attribute) (httk.core.services.Service attribute) (httk.serve.dsp.DataServiceProfile attribute) (httk.serve.dsp.DcatDataServiceProfile attribute) (httk.serve.dsp.models.DataServiceProfile attribute) (httk.serve.dsp.models.DcatDataServiceProfile attribute) Service (class in httk.core) (class in httk.core.services) service (httk.serve.dsp.config.DspPublicationRecord attribute) (httk.serve.dsp.DspPublicationRecord attribute) service_endpoint_url (httk.serve.dsp.config.DspProviderConfig property) (httk.serve.dsp.DspProviderConfig property) service_id (httk.serve.dsp.config.DspProviderConfig attribute) (httk.serve.dsp.DspProviderConfig attribute) service_title (httk.serve.dsp.config.DspProviderConfig attribute) (httk.serve.dsp.DspProviderConfig attribute) ServiceRecord (class in httk.core) (class in httk.core.services) set() (httk.workflow.JobState method) set_common_denom() (httk.core.vectors.fracvector.FracVectorBase class method) set_config_key() (in module httk.workflow.configuration) set_default_identity() (in module httk.core.identity) set_denominator() (httk.core.vectors.fracvector.FracVectorBase method) set_derived (httk.store.backend.sql.searcher.SqlExpression attribute) set_handler() (in module httk.serve.optimade.backend.handlers) (in module httk.store.query.optimade_filters) set_inv() (httk.core.MutableFracVector method) (httk.core.vectors.MutableFracVector method) (httk.core.vectors.mutablefracvector.MutableFracVector method) set_limit() (httk.serve.optimade.backend.memory_store.MemorySearcher method) (httk.serve.optimade.backend.protocols.Searcher method) (httk.serve.optimade.backend.Searcher method) (httk.serve.optimade.remote_query.RemoteSearcher method) (httk.serve.optimade.RemoteSearcher method) (httk.store.backend.mongo.searcher.MongoSearcher method) (httk.store.backend.sql.searcher.SqlSearcher method) (httk.store.federated_store.FederatedSearcher method) (httk.store.FederatedSearcher method) (httk.store.query.protocols.Searcher method) (httk.store.query.Searcher method) (httk.store.Searcher method) set_negative() (httk.core.MutableFracVector method) (httk.core.vectors.MutableFracVector method) (httk.core.vectors.mutablefracvector.MutableFracVector method) set_normalize() (httk.core.MutableFracVector method) (httk.core.vectors.MutableFracVector method) (httk.core.vectors.mutablefracvector.MutableFracVector method) set_normalize_half() (httk.core.MutableFracVector method) (httk.core.vectors.MutableFracVector method) (httk.core.vectors.mutablefracvector.MutableFracVector method) set_policy() (httk.workflow.Workspace method) set_project_member_name() (in module httk.core.project) (in module httk.core.project.members) set_row_verifier() (httk.store.backend.mongo.searcher.MongoSearcher method) set_set_denominator() (httk.core.MutableFracVector method) (httk.core.vectors.MutableFracVector method) (httk.core.vectors.mutablefracvector.MutableFracVector method) set_setting() (httk.workflow.Workspace method) set_simplify() (httk.core.MutableFracVector method) (httk.core.vectors.MutableFracVector method) (httk.core.vectors.mutablefracvector.MutableFracVector method) set_T() (httk.core.MutableFracVector method) (httk.core.vectors.MutableFracVector method) (httk.core.vectors.mutablefracvector.MutableFracVector method) set_workflow_prelude() (httk.workflow.Workspace method) settable (httk.workflow.configuration.ConfigKey attribute) settable_config_keys() (in module httk.workflow.configuration) setting (httk.atomistic.Spacegroup property) (httk.atomistic.symmetry.Spacegroup property) (httk.atomistic.symmetry.spacegroup.Spacegroup property) setting() (httk.atomistic.FundamentalDomainStructure method) (httk.atomistic.models.structure.asu.FundamentalDomainStructure method) (httk.atomistic.models.structure.FundamentalDomainStructure method) (httk.workflow.Attempt method) (httk.workflow.sdk.Attempt method) setting_definitions() (in module httk.atomistic.entries.symmetry) SETTING_PROPERTY_KEYS (in module httk.atomistic.entries.symmetry) setting_transform (httk.atomistic.FundamentalDomainStructureRecord attribute) (httk.atomistic.storage.FundamentalDomainStructureRecord attribute) (httk.atomistic.storage.records.FundamentalDomainStructureRecord attribute) setting_transform() (in module httk.atomistic.data) settings (httk.workflow.protocol.AttemptContext attribute) (httk.workflow.runtime.AttemptContext attribute) (httk.workflow.Workspace property) SettingTransform (class in httk.atomistic) (class in httk.atomistic.symmetry) (class in httk.atomistic.symmetry.setting_transform) SettingTransformRecord (class in httk.atomistic.storage) (class in httk.atomistic.storage.records) setup() (in module httk.core.docs.sphinx_ext) severity (httk.workflow.supervision.Diagnostic attribute) sha256 (httk.core.DatasetDistribution attribute) (httk.core.datasets.DatasetDistribution attribute) (httk.core.FileRecord attribute) (httk.core.files.FileRecord attribute) (httk.serve.dsp.config.DspDatasetPublication property) (httk.serve.dsp.DistributionProfile attribute) (httk.serve.dsp.DspDatasetPublication property) (httk.serve.dsp.models.DistributionProfile attribute) (httk.workflow.languages.cwl.FileRecord attribute) (httk.workflow.RunnerRef attribute) (httk.workflow.sdk.RunnerRef attribute) (httk.workflow.vasp.PotcarChoice attribute) sha256_file() (in module httk.core.digests) Shape (class in httk.core) (class in httk.core.storage) (class in httk.core.storage.markers) shape (httk.store.backend.mongo.mapping.DocumentFieldSpec attribute) (httk.store.backend.schema.FieldSpec attribute) shift (httk.atomistic.LiftResult attribute) (httk.atomistic.symmetry.lift.LiftResult attribute) shims_home() (in module httk.core.plugins) (in module httk.core.plugins.installed) short (httk.core.identity.OperatorIdentity attribute) show() (in module httk.analyse.crysviz) sid (httk.store.backend.mongo.searcher.MongoVariable property) SID_COLUMN (in module httk.store.backend.sql.mapping) sid_columns() (httk.store.backend.sql.graph.LogicalEdgeGraph method) sid_of() (httk.store.backend.mongo.store.MongoStore method) (httk.store.backend.sql.store.SqlStore method) sign() (httk.core.SurdScalar method) (httk.core.vectors.fracvector.FracVectorBase method) (httk.core.vectors.SurdScalar method) (httk.core.vectors.surdvector.SurdScalar method) (httk.serve.web.widgets.table.TableTokenSigner method) (in module httk.core.vectors.vectormath) sign_document() (in module httk.core.identity) sign_seal_body() (in module httk.core.project) (in module httk.core.project.sealing) signature_digest() (in module httk.core.identity) signatures (httk.core.project.Seal attribute) (httk.core.project.sealing.Seal attribute) signer (httk.serve.web.widgets.table.TableRuntime attribute) signers (httk.core.project.sealing.SealVerification attribute) (httk.core.project.SealVerification attribute) similar() (httk.atomistic.models.protostructure.api.ProtostructureAPI method) (httk.atomistic.models.protostructure.ProtostructureAPI method) (httk.atomistic.models.prototype.api.PrototypeAPI method) (httk.atomistic.models.prototype.PrototypeAPI method) simple_property_handlers() (in module httk.serve.optimade.backend) (in module httk.serve.optimade.backend.handlers) (in module httk.store.query.optimade_filters) simplified_property() (in module httk.serve.optimade.schema.served) simplify() (httk.core.vectors.fracvector.FracVectorBase method) simplify_fast() (httk.core.vectors.fracvector.FracVectorBase method) sin() (httk.core.vectors.fracvector.FracVectorBase method) (in module httk.core.exactmath) (in module httk.core.vectors.vectormath) sin_degrees() (httk.core.SurdScalar class method) (httk.core.vectors.SurdScalar class method) (httk.core.vectors.surdvector.SurdScalar class method) single_asu_from_cif_file() (in module httk.atomistic.io.cif) (in module httk.atomistic.io.cif.cif_parser) single_mag_asu_from_mcif_file() (in module httk.atomistic.io.cif) (in module httk.atomistic.io.cif.mcif_parser) sinh() (in module httk.core.vectors.vectormath) site_coordinate_span (httk.atomistic.ASUStructure property) (httk.atomistic.FundamentalDomainStructure property) (httk.atomistic.models.structure.asu.ASUStructure property) (httk.atomistic.models.structure.asu.FundamentalDomainStructure property) (httk.atomistic.models.structure.ASUStructure property) (httk.atomistic.models.structure.FundamentalDomainStructure property) (httk.atomistic.models.structure.numeric_view.NumericUnitcellStructureView property) (httk.atomistic.models.structure.NumericUnitcellStructureView property) (httk.atomistic.models.structure.optimade.OptimadeStructure property) (httk.atomistic.models.structure.OptimadeStructure property) (httk.atomistic.models.structure.symops.SymopsStructure property) (httk.atomistic.models.structure.unitcell.UnitcellStructure property) (httk.atomistic.models.structure.unitcell_view.UnitcellStructureView property) (httk.atomistic.models.structure.UnitcellStructure property) (httk.atomistic.models.structure.UnitcellStructureView property) (httk.atomistic.NumericUnitcellStructureView property) (httk.atomistic.OptimadeStructure property) (httk.atomistic.SymopsStructure property) (httk.atomistic.UnitcellStructure property) (httk.atomistic.UnitcellStructureView property) site_coordinate_span_description (httk.atomistic.models.structure.optimade.OptimadeStructure property) (httk.atomistic.models.structure.OptimadeStructure property) (httk.atomistic.models.structure.semantics.StructureSemanticsMixin property) (httk.atomistic.models.structure.StructureSemanticsMixin property) (httk.atomistic.models.structure.unitcell_view.UnitcellStructureView property) (httk.atomistic.models.structure.UnitcellStructureView property) (httk.atomistic.OptimadeStructure property) (httk.atomistic.UnitcellStructureView property) site_moments (httk.atomistic.ASEAtoms property) (httk.atomistic.DatastreamStructure property) (httk.atomistic.FundamentalDomainStructure property) (httk.atomistic.integrations.ase.ASEAtoms property) (httk.atomistic.integrations.ase.models.ASEAtoms property) (httk.atomistic.integrations.ASEAtoms property) (httk.atomistic.integrations.pymatgen.models.PymatgenStructure property) (httk.atomistic.integrations.pymatgen.PymatgenStructure property) (httk.atomistic.integrations.PymatgenStructure property) (httk.atomistic.integrations.vasp.structure.VASPStructure property) (httk.atomistic.integrations.vasp.VASPStructure property) (httk.atomistic.integrations.VASPStructure property) (httk.atomistic.models.structure.api.StructureAPI property) (httk.atomistic.models.structure.asu.FundamentalDomainStructure property) (httk.atomistic.models.structure.datastream.DatastreamStructure property) (httk.atomistic.models.structure.DatastreamStructure property) (httk.atomistic.models.structure.FundamentalDomainStructure property) (httk.atomistic.models.structure.modulated.ModulatedStructure property) (httk.atomistic.models.structure.numeric_view.NumericUnitcellStructureView property) (httk.atomistic.models.structure.NumericUnitcellStructureView property) (httk.atomistic.models.structure.optimade.OptimadeStructure property) (httk.atomistic.models.structure.OptimadeStructure property) (httk.atomistic.models.structure.record.RecordStructure property) (httk.atomistic.models.structure.RecordStructure property) (httk.atomistic.models.structure.StructureAPI property) (httk.atomistic.models.structure.symops.SymopsStructure property) (httk.atomistic.models.structure.unitcell.UnitcellStructure property) (httk.atomistic.models.structure.unitcell_view.UnitcellStructureView property) (httk.atomistic.models.structure.UnitcellStructure property) (httk.atomistic.models.structure.UnitcellStructureView property) (httk.atomistic.ModulatedStructure property) (httk.atomistic.NumericUnitcellStructureView property) (httk.atomistic.OptimadeStructure property) (httk.atomistic.PymatgenStructure property) (httk.atomistic.storage.records.UnitcellStructureRecord attribute) (httk.atomistic.storage.UnitcellStructureRecord attribute) (httk.atomistic.SymopsStructure property) (httk.atomistic.UnitcellStructure property) (httk.atomistic.UnitcellStructureRecord attribute) (httk.atomistic.UnitcellStructureView property) (httk.atomistic.VASPStructure property) site_moments_kind (httk.atomistic.storage.records.UnitcellStructureRecord attribute) (httk.atomistic.storage.UnitcellStructureRecord attribute) (httk.atomistic.UnitcellStructureRecord attribute) site_moments_precision (httk.atomistic.storage.records.UnitcellStructureRecord attribute) (httk.atomistic.storage.UnitcellStructureRecord attribute) (httk.atomistic.UnitcellStructureRecord attribute) SITE_RESOURCES_KEY (in module httk.serve.web) (in module httk.serve.web.resources) site_symmetry (httk.atomistic.symmetry.wyckoff.WyckoffPosition property) (httk.atomistic.symmetry.WyckoffPosition property) (httk.atomistic.WyckoffPosition property) SiteConfig (class in httk.serve.web.model) (class in httk.serve.web.model.config) SiteEngine (class in httk.serve.web.engine) (class in httk.serve.web.engine.site_engine) SiteMomentsAPI (class in httk.atomistic.models.moments.api) SiteMomentsBackend (class in httk.atomistic.models.moments.backend) SiteMomentsLike (in module httk.atomistic) (in module httk.atomistic.models.moments) (in module httk.atomistic.models.moments.like) SiteMomentsViewBase (class in httk.atomistic.models.moments.view_base) SiteResources (class in httk.serve.web) (class in httk.serve.web.resources) Sites (class in httk.atomistic) (class in httk.atomistic.models.sites) (class in httk.atomistic.models.sites.sites) sites (httk.atomistic.ASEAtoms property) (httk.atomistic.ASUStructureView property) (httk.atomistic.DatastreamStructure property) (httk.atomistic.FundamentalDomainStructure property) (httk.atomistic.FundamentalDomainTemplate property) (httk.atomistic.integrations.ase.ASEAtoms property) (httk.atomistic.integrations.ase.models.ASEAtoms property) (httk.atomistic.integrations.ASEAtoms property) (httk.atomistic.integrations.pymatgen.models.PymatgenStructure property) (httk.atomistic.integrations.pymatgen.PymatgenStructure property) (httk.atomistic.integrations.PymatgenStructure property) (httk.atomistic.integrations.vasp.structure.VASPStructure property) (httk.atomistic.integrations.vasp.VASPStructure property) (httk.atomistic.integrations.VASPStructure property) (httk.atomistic.models.structure.api.StructureAPI property) (httk.atomistic.models.structure.asu.FundamentalDomainStructure property) (httk.atomistic.models.structure.asu_view.ASUStructureView property) (httk.atomistic.models.structure.datastream.DatastreamStructure property) (httk.atomistic.models.structure.DatastreamStructure property) (httk.atomistic.models.structure.FundamentalDomainStructure property) (httk.atomistic.models.structure.modulated.ModulatedStructure property) (httk.atomistic.models.structure.numeric.NumericUnitcellStructure property) (httk.atomistic.models.structure.numeric_view.NumericUnitcellStructureView property) (httk.atomistic.models.structure.NumericUnitcellStructure property) (httk.atomistic.models.structure.NumericUnitcellStructureView property) (httk.atomistic.models.structure.optimade.OptimadeStructure property) (httk.atomistic.models.structure.OptimadeStructure property) (httk.atomistic.models.structure.plain.PlainStructure property) (httk.atomistic.models.structure.PlainStructure property) (httk.atomistic.models.structure.record.RecordStructure property) (httk.atomistic.models.structure.RecordStructure property) (httk.atomistic.models.structure.StructureAPI property) (httk.atomistic.models.structure.symops.SymopsStructure property) (httk.atomistic.models.structure.unitcell.UnitcellStructure property) (httk.atomistic.models.structure.UnitcellStructure property) (httk.atomistic.models.structuretype.anonymized.AnonymizedStructure property) (httk.atomistic.models.structuretype.api.StructuretypeAPI property) (httk.atomistic.models.structuretype.fundamental.FundamentalDomainTemplate property) (httk.atomistic.models.structuretype.FundamentalDomainTemplate property) (httk.atomistic.models.structuretype.Structuretype property) (httk.atomistic.models.structuretype.structuretype.Structuretype property) (httk.atomistic.models.structuretype.StructuretypeAPI property) (httk.atomistic.ModulatedStructure property) (httk.atomistic.NumericUnitcellStructureView property) (httk.atomistic.OptimadeStructure property) (httk.atomistic.PymatgenStructure property) (httk.atomistic.storage.AssemblyGroupRecord attribute) (httk.atomistic.storage.records.AssemblyGroupRecord attribute) (httk.atomistic.storage.records.UnitcellStructureRecord attribute) (httk.atomistic.storage.UnitcellStructureRecord attribute) (httk.atomistic.Structuretype property) (httk.atomistic.SymopsStructure property) (httk.atomistic.UnitcellStructure property) (httk.atomistic.UnitcellStructureRecord attribute) (httk.atomistic.VASPStructure property) sites_in_groups (httk.atomistic.Assembly attribute) (httk.atomistic.composition.Assembly attribute) (httk.atomistic.storage.AssemblyRecord property) (httk.atomistic.storage.records.AssemblyRecord property) SitesAPI (class in httk.atomistic.models.sites) (class in httk.atomistic.models.sites.api) SitesBackend (class in httk.atomistic.models.sites) (class in httk.atomistic.models.sites.backend) SitesLike (in module httk.atomistic) (in module httk.atomistic.models.sites) (in module httk.atomistic.models.sites.like) SitesNumericView (class in httk.atomistic.models.sites) (class in httk.atomistic.models.sites.numeric_view) SitesRecord (class in httk.atomistic.storage) (class in httk.atomistic.storage.records) SitesView (class in httk.atomistic) (class in httk.atomistic.models.sites) (class in httk.atomistic.models.sites.view) SitesViewBase (class in httk.atomistic.models.sites) (class in httk.atomistic.models.sites.view_base) SiteWidgetLoader (class in httk.serve.web.widgets) (class in httk.serve.web.widgets.loader) size (httk.core.entry_types.File attribute) (httk.core.File attribute) (httk.core.FileRecord attribute) (httk.core.files.FileRecord attribute) (httk.workflow.languages.cwl.FileRecord attribute) Skip (class in httk.core) (class in httk.core.storage) (class in httk.core.storage.markers) sliceable (httk.serve.optimade.backend.partial.PartialDimension attribute) (httk.serve.optimade.backend.PartialDimension attribute) Slicer (class in httk.store.query) (class in httk.store.query.slicer) slicer() (httk.store.backend.mongo.searcher.MongoSearcher method) (httk.store.backend.sql.searcher.SqlSearcher method) (httk.store.federated_store.FederatedSearcher method) (httk.store.FederatedSearcher method) SlicerColumn (class in httk.store.query) (class in httk.store.query.slicer) SlicerMask (class in httk.store.query) (class in httk.store.query.slicer) SlicerSelection (class in httk.store.query) (class in httk.store.query.slicer) slug (httk.core.docs.config.InternalDependency attribute) (httk.core.docs.config.VersioningConfig attribute) (httk.core.docs.InternalDependency attribute) (httk.core.docs.VersioningConfig attribute) snapshot_cutoff_ns() (httk.serve.optimade.backend.StoredBackendAdapter method) (httk.serve.optimade.backend.stores.StoredBackendAdapter method) (httk.serve.optimade.StoredBackendAdapter method) (httk.store.backend.sql.stored_federation.StoredEntryFederation method) SnapshotCutoff (in module httk.serve.optimade.engine.processing) sniff_codec() (in module httk.core.datastream.compression) snippet (httk.serve.web.renderers.base.WidgetPlacement attribute) sort (httk.core.storage.stored_properties.StoredPropertyProjection attribute) (httk.core.storage.StoredPropertyProjection attribute) (httk.serve.optimade.model.request.ValidatedParameters attribute) (httk.serve.optimade.model.ValidatedParameters attribute) (httk.serve.optimade.ValidatedParameters attribute) sort_count (httk.store.backend.mongo.stored_properties.MongoStoredPropertyCandidateStream attribute) (httk.store.backend.sql.stored_properties.StoredPropertySqlCandidateStream attribute) sort_fields (httk.serve.optimade.model.request.ValidatedRequest attribute) (httk.serve.optimade.model.ValidatedRequest attribute) (httk.serve.optimade.ValidatedRequest attribute) sort_keys (httk.serve.optimade.backend.adapter.EntrySource attribute) (httk.serve.optimade.backend.EntrySource attribute) (httk.serve.optimade.EntrySource attribute) sortable_properties (httk.serve.optimade.client.RemoteEntryType attribute) (httk.serve.optimade.RemoteEntryType attribute) sortable_response_fields (httk.serve.optimade.schema.served.ServedSchema attribute) source (httk.serve.web.widgets.core.FunctionWidget attribute) (httk.serve.web.widgets.core.Widget property) (httk.serve.web.widgets.FunctionWidget attribute) (httk.serve.web.widgets.table.TableWidget attribute) (httk.serve.web.widgets.Widget property) (httk.store.backend.sql.stored_federation.StoredEntryOrigin attribute) (httk.store.federated_store.FederatedSourceError attribute) (httk.store.FederatedSourceError attribute) (httk.workflow.RunnerRef attribute) (httk.workflow.scaffold.ResolvedWorkflow attribute) (httk.workflow.sdk.RunnerRef attribute) (httk.workflow.supervision.Diagnostic attribute) (httk.workflow.supervision.SourceEvent attribute) (httk.workflow.vasp.PotcarChoice attribute) source_column (httk.store.backend.sql.graph.LogicalEdge attribute) source_id (httk.core.ProductLink attribute) (httk.core.provenance.ProductLink attribute) (httk.core.provenance.Run attribute) (httk.core.Run attribute) source_index (httk.store.backend.sql.stored_federation.StoredEntryOrigin attribute) SOURCE_LID_COLUMN (in module httk.store.backend.sql.mapping) source_locator (httk.atomistic.integrations.vasp.trajectory.VASPTrajectory property) (httk.atomistic.integrations.vasp.VASPTrajectory property) (httk.atomistic.integrations.VASPTrajectory property) (httk.atomistic.JsonlTrajectory property) (httk.atomistic.models.trajectory.jsonl.JsonlTrajectory property) (httk.atomistic.models.trajectory.JsonlTrajectory property) (httk.atomistic.models.trajectory.TrajectoryView property) (httk.atomistic.models.trajectory.view.TrajectoryView property) (httk.atomistic.storage.records.TrajectoryRecord attribute) (httk.atomistic.storage.TrajectoryRecord attribute) (httk.atomistic.TrajectoryRecord attribute) (httk.atomistic.TrajectoryView property) (httk.atomistic.VASPTrajectory property) source_names (httk.store.federated_store.FederatedStore property) (httk.store.FederatedStore property) source_path (httk.serve.web.model.page.ResolvedRoute attribute) (httk.serve.web.model.ResolvedRoute attribute) (httk.serve.web.renderers.base.WidgetPlacement attribute) (httk.serve.web.widgets.core.WidgetContext attribute) (httk.serve.web.widgets.WidgetContext attribute) source_placement (httk.workflow.transfers.TransferCandidate attribute) source_table (httk.store.backend.sql.graph.LogicalEdge attribute) source_type (httk.core.ProductLink attribute) (httk.core.provenance.ProductLink attribute) source_url (httk.core.optimade.OptimadeDocument attribute) (httk.core.optimade.resources.OptimadeDocument attribute) (httk.serve.optimade.client.OptimadeDiscoveryError attribute) (httk.serve.optimade.client.OptimadeHTTPError attribute) (httk.serve.optimade.client.OptimadeTransportError attribute) (httk.serve.optimade.client.OptimadeVersionNegotiationError attribute) (httk.serve.optimade.OptimadeDiscoveryError attribute) (httk.serve.optimade.OptimadeHTTPError attribute) (httk.serve.optimade.OptimadeTransportError attribute) (httk.serve.optimade.OptimadeVersionNegotiationError attribute) SourceEvent (class in httk.workflow.supervision) sources (httk.serve.optimade.backend.adapter.BackendAdapter attribute) (httk.serve.optimade.backend.BackendAdapter attribute) (httk.serve.optimade.BackendAdapter attribute) (httk.store.backend.sql.stored_federation.StoredEntryFederation property) (httk.workflow.supervision.CheckerSpec attribute) space_group_it_number (httk.atomistic.FundamentalDomainStructure property) (httk.atomistic.models.structure.asu.FundamentalDomainStructure property) (httk.atomistic.models.structure.FundamentalDomainStructure property) (httk.atomistic.models.structure.optimade.OptimadeStructure property) (httk.atomistic.models.structure.OptimadeStructure property) (httk.atomistic.models.structure.semantics.StructureSemanticsMixin property) (httk.atomistic.models.structure.semantics.StructureSymmetry attribute) (httk.atomistic.models.structure.StructureSemanticsMixin property) (httk.atomistic.models.structure.StructureSymmetry attribute) (httk.atomistic.models.structure.unitcell_view.UnitcellStructureView property) (httk.atomistic.models.structure.UnitcellStructureView property) (httk.atomistic.OptimadeStructure property) (httk.atomistic.storage.records.SymmetryRecord attribute) (httk.atomistic.storage.SymmetryRecord attribute) (httk.atomistic.StructureSymmetry attribute) (httk.atomistic.UnitcellStructureView property) space_group_symbol_hall (httk.atomistic.FundamentalDomainStructure property) (httk.atomistic.models.structure.asu.FundamentalDomainStructure property) (httk.atomistic.models.structure.FundamentalDomainStructure property) (httk.atomistic.models.structure.optimade.OptimadeStructure property) (httk.atomistic.models.structure.OptimadeStructure property) (httk.atomistic.models.structure.semantics.StructureSemanticsMixin property) (httk.atomistic.models.structure.semantics.StructureSymmetry attribute) (httk.atomistic.models.structure.StructureSemanticsMixin property) (httk.atomistic.models.structure.StructureSymmetry attribute) (httk.atomistic.models.structure.unitcell_view.UnitcellStructureView property) (httk.atomistic.models.structure.UnitcellStructureView property) (httk.atomistic.OptimadeStructure property) (httk.atomistic.storage.records.SymmetryRecord attribute) (httk.atomistic.storage.SymmetryRecord attribute) (httk.atomistic.StructureSymmetry attribute) (httk.atomistic.UnitcellStructureView property) space_group_symbol_hermann_mauguin (httk.atomistic.FundamentalDomainStructure property) (httk.atomistic.models.structure.asu.FundamentalDomainStructure property) (httk.atomistic.models.structure.FundamentalDomainStructure property) (httk.atomistic.models.structure.optimade.OptimadeStructure property) (httk.atomistic.models.structure.OptimadeStructure property) (httk.atomistic.models.structure.semantics.StructureSemanticsMixin property) (httk.atomistic.models.structure.semantics.StructureSymmetry attribute) (httk.atomistic.models.structure.StructureSemanticsMixin property) (httk.atomistic.models.structure.StructureSymmetry attribute) (httk.atomistic.models.structure.unitcell_view.UnitcellStructureView property) (httk.atomistic.models.structure.UnitcellStructureView property) (httk.atomistic.OptimadeStructure property) (httk.atomistic.storage.records.SymmetryRecord attribute) (httk.atomistic.storage.SymmetryRecord attribute) (httk.atomistic.StructureSymmetry attribute) (httk.atomistic.UnitcellStructureView property)

space_group_symbol_hermann_mauguin_extended (httk.atomistic.FundamentalDomainStructure property) (httk.atomistic.models.structure.asu.FundamentalDomainStructure property) (httk.atomistic.models.structure.FundamentalDomainStructure property) (httk.atomistic.models.structure.optimade.OptimadeStructure property) (httk.atomistic.models.structure.OptimadeStructure property) (httk.atomistic.models.structure.semantics.StructureSemanticsMixin property) (httk.atomistic.models.structure.semantics.StructureSymmetry attribute) (httk.atomistic.models.structure.StructureSemanticsMixin property) (httk.atomistic.models.structure.StructureSymmetry attribute) (httk.atomistic.models.structure.unitcell_view.UnitcellStructureView property) (httk.atomistic.models.structure.UnitcellStructureView property) (httk.atomistic.OptimadeStructure property) (httk.atomistic.storage.records.SymmetryRecord attribute) (httk.atomistic.storage.SymmetryRecord attribute) (httk.atomistic.StructureSymmetry attribute) (httk.atomistic.UnitcellStructureView property) space_group_symmetry_operations_xyz (httk.atomistic.FundamentalDomainStructure property) (httk.atomistic.models.structure.asu.FundamentalDomainStructure property) (httk.atomistic.models.structure.FundamentalDomainStructure property) (httk.atomistic.models.structure.optimade.OptimadeStructure property) (httk.atomistic.models.structure.OptimadeStructure property) (httk.atomistic.models.structure.semantics.StructureSemanticsMixin property) (httk.atomistic.models.structure.semantics.StructureSymmetry attribute) (httk.atomistic.models.structure.StructureSemanticsMixin property) (httk.atomistic.models.structure.StructureSymmetry attribute) (httk.atomistic.models.structure.unitcell_view.UnitcellStructureView property) (httk.atomistic.models.structure.UnitcellStructureView property) (httk.atomistic.OptimadeStructure property) (httk.atomistic.storage.records.SymmetryRecord attribute) (httk.atomistic.storage.SymmetryRecord attribute) (httk.atomistic.StructureSymmetry attribute) (httk.atomistic.UnitcellStructureView property) Spacegroup (class in httk.atomistic) (class in httk.atomistic.symmetry) (class in httk.atomistic.symmetry.spacegroup) spacegroup (httk.atomistic.ConventionalCellResult attribute) (httk.atomistic.FundamentalDomainStructure property) (httk.atomistic.FundamentalDomainTemplate property) (httk.atomistic.LiftResult attribute) (httk.atomistic.models.protostructure.api.ProtostructureAPI property) (httk.atomistic.models.protostructure.label.ProtostructureLabel property) (httk.atomistic.models.protostructure.label_string.ProtostructureLabelString property) (httk.atomistic.models.protostructure.Protostructure property) (httk.atomistic.models.protostructure.protostructure.Protostructure property) (httk.atomistic.models.protostructure.ProtostructureAPI property) (httk.atomistic.models.protostructure.recognized.RecognizedProtostructure property) (httk.atomistic.models.prototype.api.PrototypeAPI property) (httk.atomistic.models.prototype.derived.DerivedPrototype property) (httk.atomistic.models.prototype.label.PrototypeLabel property) (httk.atomistic.models.prototype.label_string.PrototypeLabelString property) (httk.atomistic.models.prototype.Prototype property) (httk.atomistic.models.prototype.prototype.Prototype property) (httk.atomistic.models.prototype.PrototypeAPI property) (httk.atomistic.models.prototype.recognized.RecognizedPrototype property) (httk.atomistic.models.structure.asu.FundamentalDomainStructure property) (httk.atomistic.models.structure.FundamentalDomainStructure property) (httk.atomistic.models.structuretype.fundamental.FundamentalDomainTemplate property) (httk.atomistic.models.structuretype.FundamentalDomainTemplate property) (httk.atomistic.PrimitiveCellResult attribute) (httk.atomistic.Protostructure property) (httk.atomistic.ProtostructureLabel property) (httk.atomistic.Prototype property) (httk.atomistic.PrototypeLabel property) (httk.atomistic.StructurePath attribute) (httk.atomistic.SubgroupRepresentationResult attribute) (httk.atomistic.symmetry.lift.LiftResult attribute) (httk.atomistic.symmetry.paths.CommonSubgroupResult attribute) (httk.atomistic.symmetry.paths.StructurePath attribute) (httk.atomistic.symmetry.primitive.PrimitiveCellResult attribute) (httk.atomistic.symmetry.standardization.ConventionalCellResult attribute) (httk.atomistic.symmetry.subgroups.SubgroupRepresentationResult attribute) spacegroup_hall_entry (httk.atomistic.FundamentalDomainStructureRecord attribute) (httk.atomistic.FundamentalDomainTemplateRecord attribute) (httk.atomistic.ProtostructureRecord attribute) (httk.atomistic.PrototypeRecord attribute) (httk.atomistic.storage.FundamentalDomainStructureRecord attribute) (httk.atomistic.storage.FundamentalDomainTemplateRecord attribute) (httk.atomistic.storage.ProtostructureRecord attribute) (httk.atomistic.storage.PrototypeRecord attribute) (httk.atomistic.storage.records.FundamentalDomainStructureRecord attribute) (httk.atomistic.storage.records.FundamentalDomainTemplateRecord attribute) (httk.atomistic.storage.records.ProtostructureRecord attribute) (httk.atomistic.storage.records.PrototypeRecord attribute) spacegroup_it_number (httk.atomistic.FundamentalDomainStructureRecord attribute) (httk.atomistic.FundamentalDomainTemplateRecord attribute) (httk.atomistic.ProtostructureRecord attribute) (httk.atomistic.PrototypeRecord attribute) (httk.atomistic.storage.FundamentalDomainStructureRecord attribute) (httk.atomistic.storage.FundamentalDomainTemplateRecord attribute) (httk.atomistic.storage.ProtostructureRecord attribute) (httk.atomistic.storage.PrototypeRecord attribute) (httk.atomistic.storage.records.FundamentalDomainStructureRecord attribute) (httk.atomistic.storage.records.FundamentalDomainTemplateRecord attribute) (httk.atomistic.storage.records.ProtostructureRecord attribute) (httk.atomistic.storage.records.PrototypeRecord attribute) spacegroup_setting() (in module httk.atomistic.data) spacegroup_setting_by_symop_key() (in module httk.atomistic.data) spacegroup_settings() (in module httk.atomistic.data) spacegroup_subgroup_record() (in module httk.atomistic.data) spawn() (httk.workflow.Attempt method) (httk.workflow.sdk.Attempt method) SPDX_SHA256 (in module httk.serve.dsp) (in module httk.serve.dsp.config) spec (httk.store.backend.mongo.evaluator.MongoValue attribute) Species (class in httk.atomistic) (class in httk.atomistic.models.species) (class in httk.atomistic.models.species.species) species (httk.atomistic.ASEAtoms property) (httk.atomistic.DatastreamStructure property) (httk.atomistic.FundamentalDomainStructure property) (httk.atomistic.FundamentalDomainStructureRecord attribute) (httk.atomistic.FundamentalDomainTemplate property) (httk.atomistic.FundamentalDomainTemplateRecord attribute) (httk.atomistic.integrations.ase.ASEAtoms property) (httk.atomistic.integrations.ase.models.ASEAtoms property) (httk.atomistic.integrations.ASEAtoms property) (httk.atomistic.integrations.pymatgen.models.PymatgenStructure property) (httk.atomistic.integrations.pymatgen.PymatgenStructure property) (httk.atomistic.integrations.PymatgenStructure property) (httk.atomistic.integrations.vasp.structure.VASPStructure property) (httk.atomistic.integrations.vasp.trajectory.VASPTrajectory property) (httk.atomistic.integrations.vasp.VASPStructure property) (httk.atomistic.integrations.vasp.VASPTrajectory property) (httk.atomistic.integrations.VASPStructure property) (httk.atomistic.integrations.VASPTrajectory property) (httk.atomistic.JsonlTrajectory property) (httk.atomistic.models.protostructure.occupation.WyckoffOccupation attribute) (httk.atomistic.models.protostructure.WyckoffOccupation attribute) (httk.atomistic.models.structure.api.StructureAPI property) (httk.atomistic.models.structure.asu.FundamentalDomainStructure property) (httk.atomistic.models.structure.asu.WyckoffSite attribute) (httk.atomistic.models.structure.datastream.DatastreamStructure property) (httk.atomistic.models.structure.DatastreamStructure property) (httk.atomistic.models.structure.FundamentalDomainStructure property) (httk.atomistic.models.structure.modulated.ModulatedStructure property) (httk.atomistic.models.structure.numeric.NumericUnitcellStructure property) (httk.atomistic.models.structure.numeric_view.NumericUnitcellStructureView property) (httk.atomistic.models.structure.NumericUnitcellStructure property) (httk.atomistic.models.structure.NumericUnitcellStructureView property) (httk.atomistic.models.structure.optimade.OptimadeStructure property) (httk.atomistic.models.structure.OptimadeStructure property) (httk.atomistic.models.structure.plain.PlainStructure property) (httk.atomistic.models.structure.PlainStructure property) (httk.atomistic.models.structure.record.RecordStructure property) (httk.atomistic.models.structure.RecordStructure property) (httk.atomistic.models.structure.StructureAPI property) (httk.atomistic.models.structure.symops.SymopsStructure property) (httk.atomistic.models.structure.unitcell.UnitcellStructure property) (httk.atomistic.models.structure.UnitcellStructure property) (httk.atomistic.models.structure.WyckoffSite attribute) (httk.atomistic.models.structuretype.anonymized.AnonymizedStructure property) (httk.atomistic.models.structuretype.api.StructuretypeAPI property) (httk.atomistic.models.structuretype.fundamental.FundamentalDomainTemplate property) (httk.atomistic.models.structuretype.FundamentalDomainTemplate property) (httk.atomistic.models.structuretype.Structuretype property) (httk.atomistic.models.structuretype.structuretype.Structuretype property) (httk.atomistic.models.structuretype.StructuretypeAPI property) (httk.atomistic.models.trajectory.api.TrajectoryAPI property) (httk.atomistic.models.trajectory.jsonl.JsonlTrajectory property) (httk.atomistic.models.trajectory.JsonlTrajectory property) (httk.atomistic.models.trajectory.plain.PlainTrajectory property) (httk.atomistic.models.trajectory.PlainTrajectory property) (httk.atomistic.models.trajectory.record.RecordTrajectory property) (httk.atomistic.models.trajectory.Trajectory property) (httk.atomistic.models.trajectory.trajectory.Trajectory property) (httk.atomistic.models.trajectory.TrajectoryAPI property) (httk.atomistic.models.trajectory.TrajectoryView property) (httk.atomistic.models.trajectory.view.TrajectoryView property) (httk.atomistic.ModulatedStructure property) (httk.atomistic.NumericUnitcellStructureView property) (httk.atomistic.OptimadeStructure property) (httk.atomistic.PlainTrajectory property) (httk.atomistic.PymatgenStructure property) (httk.atomistic.storage.FundamentalDomainStructureRecord attribute) (httk.atomistic.storage.FundamentalDomainTemplateRecord attribute) (httk.atomistic.storage.records.FundamentalDomainStructureRecord attribute) (httk.atomistic.storage.records.FundamentalDomainTemplateRecord attribute) (httk.atomistic.storage.records.TrajectoryRecord attribute) (httk.atomistic.storage.records.UnitcellStructureRecord attribute) (httk.atomistic.storage.records.WyckoffOccupationRecord attribute) (httk.atomistic.storage.records.WyckoffSiteRecord attribute) (httk.atomistic.storage.TrajectoryRecord attribute) (httk.atomistic.storage.UnitcellStructureRecord attribute) (httk.atomistic.storage.WyckoffOccupationRecord attribute) (httk.atomistic.storage.WyckoffSiteRecord attribute) (httk.atomistic.Structuretype property) (httk.atomistic.SymopsStructure property) (httk.atomistic.Trajectory property) (httk.atomistic.TrajectoryRecord attribute) (httk.atomistic.TrajectoryView property) (httk.atomistic.UnitcellStructure property) (httk.atomistic.UnitcellStructureRecord attribute) (httk.atomistic.VASPStructure property) (httk.atomistic.VASPTrajectory property) (httk.atomistic.WyckoffOccupation attribute) (httk.atomistic.WyckoffOccupationRecord attribute) (httk.atomistic.WyckoffSite attribute) (httk.workflow.vasp.PoscarHeader attribute) (httk.workflow.vasp.PotcarChoice attribute) species_and_occu (httk.atomistic.integrations.pymatgen.models.PymatgenStructureProtocol attribute) (httk.atomistic.integrations.pymatgen.PymatgenStructureProtocol attribute) (httk.atomistic.integrations.PymatgenStructureProtocol attribute) (httk.atomistic.PymatgenStructureProtocol attribute) species_at_sites (httk.atomistic.ASEAtoms property) (httk.atomistic.ASUStructureView property) (httk.atomistic.DatastreamStructure property) (httk.atomistic.FundamentalDomainStructure property) (httk.atomistic.FundamentalDomainTemplate property) (httk.atomistic.integrations.ase.ASEAtoms property) (httk.atomistic.integrations.ase.models.ASEAtoms property) (httk.atomistic.integrations.ASEAtoms property) (httk.atomistic.integrations.pymatgen.models.PymatgenStructure property) (httk.atomistic.integrations.pymatgen.PymatgenStructure property) (httk.atomistic.integrations.PymatgenStructure property) (httk.atomistic.integrations.vasp.structure.VASPStructure property) (httk.atomistic.integrations.vasp.trajectory.VASPTrajectory property) (httk.atomistic.integrations.vasp.VASPStructure property) (httk.atomistic.integrations.vasp.VASPTrajectory property) (httk.atomistic.integrations.VASPStructure property) (httk.atomistic.integrations.VASPTrajectory property) (httk.atomistic.JsonlTrajectory property) (httk.atomistic.models.structure.api.StructureAPI property) (httk.atomistic.models.structure.asu.FundamentalDomainStructure property) (httk.atomistic.models.structure.asu_view.ASUStructureView property) (httk.atomistic.models.structure.datastream.DatastreamStructure property) (httk.atomistic.models.structure.DatastreamStructure property) (httk.atomistic.models.structure.FundamentalDomainStructure property) (httk.atomistic.models.structure.modulated.ModulatedStructure property) (httk.atomistic.models.structure.numeric.NumericUnitcellStructure property) (httk.atomistic.models.structure.numeric_view.NumericUnitcellStructureView property) (httk.atomistic.models.structure.NumericUnitcellStructure property) (httk.atomistic.models.structure.NumericUnitcellStructureView property) (httk.atomistic.models.structure.optimade.OptimadeStructure property) (httk.atomistic.models.structure.OptimadeStructure property) (httk.atomistic.models.structure.plain.PlainStructure property) (httk.atomistic.models.structure.PlainStructure property) (httk.atomistic.models.structure.record.RecordStructure property) (httk.atomistic.models.structure.RecordStructure property) (httk.atomistic.models.structure.StructureAPI property) (httk.atomistic.models.structure.symops.SymopsStructure property) (httk.atomistic.models.structure.unitcell.UnitcellStructure property) (httk.atomistic.models.structure.UnitcellStructure property) (httk.atomistic.models.structuretype.anonymized.AnonymizedStructure property) (httk.atomistic.models.structuretype.api.StructuretypeAPI property) (httk.atomistic.models.structuretype.fundamental.FundamentalDomainTemplate property) (httk.atomistic.models.structuretype.FundamentalDomainTemplate property) (httk.atomistic.models.structuretype.Structuretype property) (httk.atomistic.models.structuretype.structuretype.Structuretype property) (httk.atomistic.models.structuretype.StructuretypeAPI property) (httk.atomistic.models.trajectory.api.TrajectoryAPI property) (httk.atomistic.models.trajectory.jsonl.JsonlTrajectory property) (httk.atomistic.models.trajectory.JsonlTrajectory property) (httk.atomistic.models.trajectory.plain.PlainTrajectory property) (httk.atomistic.models.trajectory.PlainTrajectory property) (httk.atomistic.models.trajectory.record.RecordTrajectory property) (httk.atomistic.models.trajectory.Trajectory property) (httk.atomistic.models.trajectory.trajectory.Trajectory property) (httk.atomistic.models.trajectory.TrajectoryAPI property) (httk.atomistic.models.trajectory.TrajectoryView property) (httk.atomistic.models.trajectory.view.TrajectoryView property) (httk.atomistic.ModulatedStructure property) (httk.atomistic.NumericUnitcellStructureView property) (httk.atomistic.OptimadeStructure property) (httk.atomistic.PlainTrajectory property) (httk.atomistic.PymatgenStructure property) (httk.atomistic.storage.records.TrajectoryRecord attribute) (httk.atomistic.storage.records.UnitcellStructureRecord attribute) (httk.atomistic.storage.TrajectoryRecord attribute) (httk.atomistic.storage.UnitcellStructureRecord attribute) (httk.atomistic.Structuretype property) (httk.atomistic.SymopsStructure property) (httk.atomistic.Trajectory property) (httk.atomistic.TrajectoryRecord attribute) (httk.atomistic.TrajectoryView property) (httk.atomistic.UnitcellStructure property) (httk.atomistic.UnitcellStructureRecord attribute) (httk.atomistic.VASPStructure property) (httk.atomistic.VASPTrajectory property) SpeciesAPI (class in httk.atomistic.models.species) (class in httk.atomistic.models.species.api) SpeciesBackend (class in httk.atomistic.models.species) (class in httk.atomistic.models.species.backend) SpeciesConstituentRecord (class in httk.atomistic.storage) (class in httk.atomistic.storage.records) SpeciesLike (in module httk.atomistic) (in module httk.atomistic.models.species) (in module httk.atomistic.models.species.like) SpeciesRecord (class in httk.atomistic.storage) (class in httk.atomistic.storage.records) SpeciesView (class in httk.atomistic) (class in httk.atomistic.models.species) (class in httk.atomistic.models.species.view) SpeciesViewBase (class in httk.atomistic.models.species) (class in httk.atomistic.models.species.view_base) spglib_default_spacegroup_setting() (in module httk.atomistic.data) spin (httk.atomistic.storage.records.SpeciesConstituentRecord attribute) (httk.atomistic.storage.SpeciesConstituentRecord attribute) spins (httk.atomistic.models.species.api.SpeciesAPI property) (httk.atomistic.models.species.plain.PlainSpecies property) (httk.atomistic.models.species.PlainSpecies property) (httk.atomistic.models.species.record.RecordSpecies property) (httk.atomistic.models.species.Species attribute) (httk.atomistic.models.species.species.Species attribute) (httk.atomistic.models.species.SpeciesAPI property) (httk.atomistic.Species attribute) (httk.atomistic.storage.records.SpeciesRecord property) (httk.atomistic.storage.SpeciesRecord property) split_compression_suffix() (in module httk.core.datastream.compression) split_http_list() (in module httk.serve.http) (in module httk.serve.http.accept) split_settings() (in module httk.workflow.adapters) splittings (httk.atomistic.symmetry.subgroups.SubgroupTransform attribute) sqlalchemy_metadata() (in module httk.store.backend.sql.mapping) SqlColumn (class in httk.store.backend.sql.searcher) SqlExpression (class in httk.store.backend.sql.searcher) sqlite() (httk.store.backend.sql.engine.Backend class method) SqlLinks (class in httk.store.backend.sql.searcher) SqlLinkSet (class in httk.store.backend.sql.searcher) SqlReference (class in httk.store.backend.sql.searcher) SqlResultSet (class in httk.store.backend.sql.results) SqlSearcher (class in httk.store.backend.sql.searcher) SqlStore (class in httk.store.backend.sql.store) SqlVariable (class in httk.store.backend.sql.searcher) sqrt() (httk.core.vectors.fracvector.FracVectorBase method) (in module httk.core.exactmath) (in module httk.core.vectors.vectormath) sqrt_of() (httk.core.SurdVector class method) (httk.core.vectors.SurdVector class method) (httk.core.vectors.surdvector.SurdVector class method) srcdir (httk.serve.web.model.config.SiteConfig attribute) (httk.serve.web.model.SiteConfig attribute) stack_vecs() (httk.core.vectors.fracvector.FracVectorBase class method) stage_cwl_inputs() (in module httk.workflow.languages.cwl) stage_load (httk.store.backend.sql.layout.BackendFacts attribute) stage_views (httk.store.backend.sql.bulk_deferred.DeferredFinalizer attribute) STAGED_DIRECTORY (in module httk.workflow.languages.cwl) (in module httk.workflow.languages.jobflow) stale_after (httk.store.backend.mongo.leases.LeaseTiming property) stale_multiplier (httk.store.backend.mongo.leases.LeaseTiming attribute) StaleResultError stamp_store_metadata() (in module httk.store.backend.clickhouse.support) standard() (httk.atomistic.Spacegroup class method) (httk.atomistic.symmetry.Spacegroup class method) (httk.atomistic.symmetry.spacegroup.Spacegroup class method) standard_entry_type() (in module httk.core) (in module httk.core.property_definitions) standard_setting() (httk.atomistic.Spacegroup method) (httk.atomistic.symmetry.Spacegroup method) (httk.atomistic.symmetry.spacegroup.Spacegroup method) standard_setting_it_numbers() (in module httk.atomistic.data) standard_spacegroup_setting() (in module httk.atomistic.data) StandardEntryProvider (class in httk.store) (class in httk.store.entry_providers) start (httk.atomistic.StructurePath attribute) (httk.atomistic.symmetry.paths.StructurePath attribute) (httk.serve.optimade.model.request.RequestedSlice attribute) start() (httk.store.backend.sql.bulk_parallel.ParallelController method) start_transfer() (httk.serve.dsp.DspProvider method) (httk.serve.dsp.provider.DspProvider method) started_at (httk.workflow.protocol.StateFrame property) (httk.workflow.supervision.ProcessReport attribute) startswith() (httk.serve.optimade.backend.memory_store.MemoryField method) (httk.serve.optimade.backend.protocols.SearchField method) (httk.serve.optimade.backend.SearchField method) (httk.store.backend.mongo.searcher.MongoField method) (httk.store.backend.mongo.searcher.MongoLinkField method) (httk.store.backend.sql.searcher.SqlColumn method) (httk.store.federated_store.FederatedField method) (httk.store.query.protocols.SearchField method) (httk.store.query.SearchField method) (httk.store.SearchField method) state (httk.serve.dsp.models.NegotiationRecord attribute) (httk.serve.dsp.models.TransferRecord attribute) (httk.serve.dsp.NegotiationRecord attribute) (httk.serve.dsp.TransferRecord attribute) (httk.workflow.Attempt attribute) (httk.workflow.collecting.JobRecord attribute) (httk.workflow.JobRecord attribute) (httk.workflow.sdk.Attempt attribute) state_directory() (httk.workflow.Workspace method) STATE_KINDS (in module httk.workflow.protocol) StateFrame (class in httk.workflow.protocol) static_dir (httk.serve.web.model.config.SiteConfig property) (httk.serve.web.model.SiteConfig property) static_subdir (httk.serve.web.model.config.SiteConfig attribute) (httk.serve.web.model.SiteConfig attribute) status (httk.serve.http.openapi.app.OpenAPIResponse attribute) (httk.serve.http.openapi.OpenAPIResponse attribute) (httk.workflow.hygiene.Finding attribute) status_code (httk.serve.dsp.DspProtocolError attribute) (httk.serve.dsp.models.DspProtocolError attribute) (httk.serve.optimade.client.OptimadeHTTPError attribute) (httk.serve.optimade.OptimadeHTTPError attribute) (httk.serve.web.model.errors.WebError attribute) (httk.serve.web.model.page.PageResult attribute) (httk.serve.web.model.PageResult attribute) (httk.serve.web.model.WebError attribute) stderr (httk.workflow.runtime.CommandResult attribute) (httk.workflow.supervision.ProcessReport attribute) stderr_bytes (httk.workflow.supervision.ProcessReport attribute) stderr_path (httk.workflow.supervision.ProcessReport attribute) stderr_truncated (httk.workflow.supervision.ProcessReport attribute) stdout (httk.workflow.runtime.CommandResult attribute) (httk.workflow.supervision.ProcessReport attribute) stdout_bytes (httk.workflow.supervision.ProcessReport attribute) stdout_path (httk.workflow.supervision.ProcessReport attribute) stdout_truncated (httk.workflow.supervision.ProcessReport attribute) steal_lease() (httk.store.backend.sql.store.SqlStore method) step (httk.serve.optimade.model.request.RequestedSlice attribute) (httk.workflow.Attempt attribute) (httk.workflow.ChildSpec attribute) (httk.workflow.protocol.AttemptContext attribute) (httk.workflow.protocol.StateFrame property) (httk.workflow.runtime.AttemptContext attribute) (httk.workflow.sdk.Attempt attribute) (httk.workflow.sdk.ChildSpec attribute) (httk.workflow.vasp.VaspRemedyDecision attribute) step() (httk.workflow.Runner method) (httk.workflow.sdk.Runner method) step_resources (httk.workflow.ChildSpec attribute) (httk.workflow.protocol.JobDefinition attribute) (httk.workflow.protocol.JobSpec attribute) (httk.workflow.scaffold.ResolvedWorkflow attribute) (httk.workflow.scaffold.WorkflowProvider attribute) (httk.workflow.sdk.ChildSpec attribute) steps (httk.workflow.languages.cwl.WorkflowLanguage attribute) (httk.workflow.languages.httk_v1.WorkflowLanguage attribute) (httk.workflow.languages.jobflow.WorkflowLanguage attribute) (httk.workflow.languages.pwd.WorkflowLanguage attribute) (httk.workflow.languages.WorkflowLanguage attribute) (httk.workflow.Runner property) (httk.workflow.scaffold.ResolvedWorkflow attribute) (httk.workflow.scaffold.WorkflowProvider attribute) (httk.workflow.sdk.Runner property) stop (httk.serve.optimade.model.request.RequestedSlice attribute) (httk.workflow.supervision.Diagnostic attribute) storage_identity_name() (in module httk.core.storage) (in module httk.core.storage.identity) STORAGE_INFO_ATTRIBUTE (in module httk.core.storage) (in module httk.core.storage.markers) storage_name (httk.core.storage.markers.StorageInfo attribute) (httk.core.storage.StorageInfo attribute) (httk.core.StorageInfo attribute) STORAGE_PROTOCOL_VERSION (in module httk.store.backend.sql.layout) StorageInfo (class in httk.core) (class in httk.core.storage) (class in httk.core.storage.markers) StorageLayout (class in httk.store.backend.sql.layout) (class in httk.store.storage_layout) StorageLayoutUpgradeRequiredError, [1] StorageProjectionCycleError, [1] Store (class in httk.serve.optimade.backend) (class in httk.serve.optimade.backend.protocols) (class in httk.store) (class in httk.store.query) (class in httk.store.query.protocols) store (httk.serve.optimade.backend.adapter.BackendAdapter attribute) (httk.serve.optimade.backend.BackendAdapter attribute) (httk.serve.optimade.BackendAdapter attribute) (httk.store.backend.sql.bulk_deferred.DeferredFinalizer attribute) (httk.store.backend.sql.stored_federation.StoredEntrySource attribute) (httk.store.backend.sql.stored_properties.StoredPropertySqlPlan attribute) store_credentials() (in module httk.workflow.adapters) store_name (httk.workflow.scaffold.ResolvedWorkflow property) store_timestamp (httk.store.store_common.SaveProjection attribute) STORE_TIMESTAMP_COLUMN (in module httk.store.backend.sql.mapping) store_timestamp_resolution (httk.store.backend.mongo.store.MongoStore property) (httk.store.backend.sql.store.SqlStore property) store_timestamps (httk.store.backend.mongo.store.MongoStore property) (httk.store.backend.sql.store.SqlStore property) StoreClockRegressionError, [1], [2] stored_digest (httk.workflow.protocol.JobDefinition attribute) stored_property (class in httk.core) (class in httk.core.storage) (class in httk.core.storage.markers) stored_property_mongo_plan() (in module httk.store.backend.mongo.stored_properties) stored_property_plan() (httk.store.backend.mongo.store.MongoStore method) (httk.store.backend.sql.store.SqlStore method) (httk.store.EntryStore method) (httk.store.store_common.EntryStore method) stored_property_projections() (in module httk.core.storage) (in module httk.core.storage.stored_properties) STORED_PROPERTY_PROJECTIONS_ATTRIBUTE (in module httk.core.storage) (in module httk.core.storage.stored_properties) stored_property_sql_plan() (in module httk.store.backend.sql.stored_properties) StoredBackendAdapter (class in httk.serve.optimade) (class in httk.serve.optimade.backend) (class in httk.serve.optimade.backend.stores) StoredEntryFederation (class in httk.store.backend.sql.stored_federation) StoredEntryOrigin (class in httk.store.backend.sql.stored_federation) StoredEntryPage (class in httk.store.backend.sql.stored_federation) StoredEntrySource (class in httk.store.backend.sql.stored_federation) StoredPropertyProjection (class in httk.core.storage) (class in httk.core.storage.stored_properties) StoredPropertyQuery (in module httk.core.storage) (in module httk.core.storage.stored_properties) StoredPropertyResponse (in module httk.core.storage) (in module httk.core.storage.stored_properties) StoredPropertySort (in module httk.core.storage) (in module httk.core.storage.stored_properties) StoredPropertySqlCandidateStream (class in httk.store.backend.sql.stored_properties) StoredPropertySqlConfigurationError StoredPropertySqlPlan (class in httk.store.backend.sql.stored_properties) StoreEntryProvider (class in httk.store.backend.mongo.entry_provider) (class in httk.store.backend.sql.entry_provider) StoreLockedError StoreResults (class in httk.serve.optimade.backend) (class in httk.serve.optimade.backend.execution) StoreUnderConstructionError str (httk.store.query.slicer.SlicerColumn property) (httk.store.query.SlicerColumn property) stress_gpa_voigt() (httk.atomistic.integrations.vasp.io.outcar.OutcarFrame method) (httk.atomistic.integrations.vasp.io.OutcarFrame method) stress_kbar (httk.atomistic.integrations.vasp.io.outcar.OutcarFrame attribute) (httk.atomistic.integrations.vasp.io.OutcarFrame attribute) stresses() (httk.atomistic.integrations.vasp.io.outcar.OutcarFile method) (httk.atomistic.integrations.vasp.io.OutcarFile method) string_handler() (in module httk.serve.optimade.backend.handlers) (in module httk.store.query.optimade_filters) string_to_val_and_delta() (in module httk.core.exactmath) stringmatching_handler() (in module httk.serve.optimade.backend.handlers) (in module httk.store.query.optimade_filters) StringMatchNode (class in httk.store.backend.mongo.searcher) strong_link (httk.store.backend.schema.FieldSpec attribute) strong_link_families() (in module httk.store.backend.sql.provenance_edges) strong_link_markers() (in module httk.store.entry_providers) StrongLink (class in httk.core) (class in httk.core.storage) (class in httk.core.storage.markers) StrongLinkFamily (class in httk.store.backend.sql.provenance_edges) structural_displacement_label (httk.atomistic.io.cif.cif_tags.CifTags attribute) structural_occupancy_label (httk.atomistic.io.cif.cif_tags.CifTags attribute) structural_q (httk.atomistic.io.cif.cif_tags.CifTags attribute) (httk.atomistic.models.structure.modulated.ModulatedStructure property) (httk.atomistic.ModulatedStructure property) structure (httk.atomistic.ConventionalCellResult attribute) (httk.atomistic.NiggliReducedStructureResult attribute) (httk.atomistic.PrimitiveCellResult attribute) (httk.atomistic.reduction.NiggliReducedStructureResult attribute) (httk.atomistic.supercell.SupercellResult attribute) (httk.atomistic.SupercellResult attribute) (httk.atomistic.symmetry.primitive.PrimitiveCellResult attribute) (httk.atomistic.symmetry.standardization.ConventionalCellResult attribute) structure_delta() (in module httk.atomistic) (in module httk.atomistic.symmetry.paths) structure_features (httk.atomistic.models.structure.api.StructureAPI property) (httk.atomistic.models.structure.optimade.OptimadeStructure property) (httk.atomistic.models.structure.OptimadeStructure property) (httk.atomistic.models.structure.semantics.StructureSemanticsMixin property) (httk.atomistic.models.structure.StructureAPI property) (httk.atomistic.models.structure.StructureSemanticsMixin property) (httk.atomistic.OptimadeStructure property) structure_files() (in module httk.workflow.scaffold) STRUCTURE_PATTERNS (in module httk.workflow.scaffold) structure_tag() (in module httk.workflow.scaffold) structure_tolerance() (in module httk.atomistic) (in module httk.atomistic.symmetry.recognition) StructureAPI (class in httk.atomistic.models.structure) (class in httk.atomistic.models.structure.api) StructureBackend (class in httk.atomistic.models.structure) (class in httk.atomistic.models.structure.backend) StructureComposition (class in httk.atomistic.models.formula.structure) StructureEntry (class in httk.atomistic) (class in httk.atomistic.entries.structures) StructureEntryProvider (class in httk.atomistic) (class in httk.atomistic.entries.structures) StructureLike (in module httk.atomistic) (in module httk.atomistic.models.structure) (in module httk.atomistic.models.structure.like) StructurePath (class in httk.atomistic) (class in httk.atomistic.symmetry.paths) StructureSemanticsMixin (class in httk.atomistic.models.structure) (class in httk.atomistic.models.structure.semantics) StructureSymmetry (class in httk.atomistic) (class in httk.atomistic.models.structure) (class in httk.atomistic.models.structure.semantics) Structuretype (class in httk.atomistic) (class in httk.atomistic.models.structuretype) (class in httk.atomistic.models.structuretype.structuretype) StructuretypeAPI (class in httk.atomistic.models.structuretype) (class in httk.atomistic.models.structuretype.api) StructuretypeBackend (class in httk.atomistic.models.structuretype) (class in httk.atomistic.models.structuretype.backend) StructuretypeLike (in module httk.atomistic) (in module httk.atomistic.models.structuretype) (in module httk.atomistic.models.structuretype.like) StructuretypeView (class in httk.atomistic) (class in httk.atomistic.models.structuretype.view) StructuretypeViewBase (class in httk.atomistic.models.structuretype) (class in httk.atomistic.models.structuretype.view_base) StructureView (class in httk.atomistic.models.structure) (class in httk.atomistic.models.structure.view) subgroup (httk.atomistic.symmetry.subgroups.SubgroupTransform attribute) subgroup_closure() (in module httk.atomistic) (in module httk.atomistic.symmetry.subgroups) subgroup_representation() (in module httk.atomistic) subgroup_transforms() (in module httk.atomistic.symmetry.subgroups) subgroup_type (httk.atomistic.symmetry.subgroups.SubgroupTransform attribute) SubgroupRepresentationResult (class in httk.atomistic) (class in httk.atomistic.symmetry.subgroups) SubgroupTransform (class in httk.atomistic.symmetry.subgroups) subject (httk.atomistic.composition.CompositionDiagnostic attribute) (httk.atomistic.models.formula.CompositionDiagnostic attribute) (httk.atomistic.models.formula.diagnostics.CompositionDiagnostic attribute) (httk.core.project.Seal attribute) (httk.core.project.sealing.Seal attribute) submit() (httk.workflow.Workspace method) succeed() (httk.workflow.Attempt method) (httk.workflow.sdk.Attempt method) succeeded (httk.workflow.ChildrenView property) (httk.workflow.ChildResult property) (httk.workflow.sdk.ChildrenView property) (httk.workflow.sdk.ChildResult property) (httk.workflow.WorkCensus attribute) success_contracts (httk.serve.http.openapi.app.OpenAPIOperation property) (httk.serve.http.openapi.OpenAPIOperation property) success_status (httk.serve.http.openapi.app.OpenAPIOperation attribute) (httk.serve.http.openapi.OpenAPIOperation attribute) suffix (httk.workflow.vasp.PotcarChoice attribute) suggest_tag() (httk.workflow.scaffold.InstantiateContext method) suggested_magnetic_moments() (in module httk.workflow.vasp) summary (httk.core.register.cli.CLICommand attribute) (httk.core.register.CLICommand attribute) (httk.workflow.scaffold.ResolvedWorkflow attribute) (httk.workflow.scaffold.WorkflowProvider attribute) (httk.workflow.supervision.Diagnostic attribute) summary_line() (httk.workflow.WorkCensus method) supercell() (httk.atomistic.models.structure.unitcell.UnitcellStructure method) (httk.atomistic.models.structure.UnitcellStructure method) (httk.atomistic.UnitcellStructure method) SupercellResult (class in httk.atomistic) (class in httk.atomistic.supercell) supergroup_closure() (in module httk.atomistic) (in module httk.atomistic.symmetry.subgroups) SUPPORTED_EXTENSIONS (in module httk.workflow.protocol) SUPPORTED_KINDS (in module httk.workflow.adapter_protocol) supported_segments (httk.analyse.generic.lower_hull.LowerConvexHull property) (httk.analyse.generic.LowerConvexHull property) SUPPORTED_WIDGET_ASSET_CONTENT_TYPES (in module httk.serve.web.widgets) (in module httk.serve.web.widgets.core) supports() (httk.store.PortableQueryCapabilities method) (httk.store.query.portable.PortableQueryCapabilities method) (httk.store.query.PortableQueryCapabilities method) supports_adhoc_indexes (httk.store.backend.sql.layout.BackendFacts attribute) supports_deferred_finalize (httk.store.backend.sql.layout.BackendFacts attribute) supports_degraded (httk.store.backend.sql.layout.BackendFacts attribute) supports_incremental_save (httk.store.backend.sql.layout.BackendFacts attribute) supports_page (httk.store.backend.mongo.store.MongoStore attribute) supports_sequences (httk.store.backend.sql.layout.BackendFacts attribute) supports_transactions (httk.store.backend.mongo.database.MongoDatabase property) SURD_EXACT_FORMAT (in module httk.store.backend.codecs) SurdScalar (class in httk.core) (class in httk.core.vectors) (class in httk.core.vectors.surdvector) SurdVector (class in httk.core) (class in httk.core.vectors) (class in httk.core.vectors.surdvector) suspend_transfer() (httk.serve.dsp.DspProvider method) (httk.serve.dsp.provider.DspProvider method) swap_finalizer_map() (in module httk.store.backend.clickhouse.support) symbol_of() (in module httk.atomistic) (in module httk.atomistic.elements) symbols (httk.atomistic.integrations.vasp.io.xdatcar.XdatcarFile property) (httk.atomistic.integrations.vasp.io.XdatcarFile property) (httk.atomistic.io.cif.cif_parser.AsuCell attribute) SYMBOLS (in module httk.atomistic.elements) symmetry (httk.atomistic.models.structure.optimade.OptimadeStructure property) (httk.atomistic.models.structure.OptimadeStructure property) (httk.atomistic.models.structure.record.RecordStructure property) (httk.atomistic.models.structure.RecordStructure property) (httk.atomistic.models.structure.unitcell.UnitcellStructure property) (httk.atomistic.models.structure.unitcell_view.UnitcellStructureView property) (httk.atomistic.models.structure.UnitcellStructure property) (httk.atomistic.models.structure.UnitcellStructureView property) (httk.atomistic.OptimadeStructure property) (httk.atomistic.storage.records.UnitcellStructureRecord attribute) (httk.atomistic.storage.UnitcellStructureRecord attribute) (httk.atomistic.UnitcellStructure property) (httk.atomistic.UnitcellStructureRecord attribute) (httk.atomistic.UnitcellStructureView property) symmetry_operations (httk.atomistic.Spacegroup property) (httk.atomistic.symmetry.Spacegroup property) (httk.atomistic.symmetry.spacegroup.Spacegroup property) symmetry_properties() (in module httk.atomistic.entries.symmetry) SYMMETRY_PROPERTY_KEYS (in module httk.atomistic.entries.symmetry) SymmetryRecord (class in httk.atomistic.storage) (class in httk.atomistic.storage.records) symop_key_v1() (in module httk.atomistic.symmetry.symop_key) symop_to_setting() (httk.atomistic.SettingTransform method) (httk.atomistic.symmetry.setting_transform.SettingTransform method) (httk.atomistic.symmetry.SettingTransform method) symop_to_standard() (httk.atomistic.SettingTransform method) (httk.atomistic.symmetry.setting_transform.SettingTransform method) (httk.atomistic.symmetry.SettingTransform method) symops (httk.atomistic.models.structure.symops.SymopsStructure property) (httk.atomistic.SymopsStructure property) symops_structures_from_mcif() (in module httk.atomistic.mcif_structures) SymopsStructure (class in httk.atomistic) (class in httk.atomistic.models.structure.symops) system_catalog (httk.store.backend.sql.layout.BackendFacts attribute)

T

T() (httk.core.SurdVector method) (httk.core.vectors.fracvector.FracVectorBase method) (httk.core.vectors.SurdVector method) (httk.core.vectors.surdvector.SurdVector method) TABLE_ASSET_ROOT (in module httk.serve.web.widgets.table) TABLE_ENDPOINT (in module httk.serve.web.widgets.table) table_for() (in module httk.store.backend.sql.mapping) table_name (httk.store.backend.schema.ChildTableSpec attribute) (httk.store.backend.schema.LinkSpec attribute) (httk.store.backend.schema.TableSchema attribute) (httk.store.backend.sql.store.EntryIdConflictError attribute) (httk.store.backend.sql.store.EntryReplacementError attribute) (httk.store.EntryIdConflictError attribute) (httk.store.store_common.EntryIdConflictError attribute) (httk.store.store_common.EntryReplacementError attribute) table_runtime (httk.serve.web.widgets.core.WidgetContext attribute) (httk.serve.web.widgets.WidgetContext attribute) TableColumn (class in httk.serve.web) (class in httk.serve.web.providers) TableContinuationError TableContinuationExpired TablePage (class in httk.serve.web) (class in httk.serve.web.providers) TableProtocolError TableProviderError TableRequest (class in httk.serve.web) (class in httk.serve.web.providers) TableRevisionMismatch TableRuntime (class in httk.serve.web.widgets.table) tables (httk.serve.optimade.backend.InMemoryStore attribute) (httk.serve.optimade.backend.memory_store.InMemoryStore attribute) (httk.serve.optimade.InMemoryStore attribute) (httk.store.backend.sql.fsck.FsckSummary attribute) (httk.store.backend.sql.graph.LogicalEdgeGraph attribute) TableSchema (class in httk.store.backend.schema) TableTokenSigner (class in httk.serve.web.widgets.table) TableWidget (class in httk.serve.web.widgets.table) tag (httk.core.building.BuildResult attribute) (httk.core.docs.release.ReleaseCheck attribute) (httk.core.docs.ReleaseCheck attribute) (httk.core.docs.semver.Version property) (httk.core.docs.Version property) (httk.workflow.ChildSpec attribute) (httk.workflow.hookapi.InstantiateRequest attribute) (httk.workflow.protocol.JobDefinition attribute) (httk.workflow.protocol.JobSpec attribute) (httk.workflow.scaffold.InstantiateContext attribute) (httk.workflow.scaffold.JobItem attribute) (httk.workflow.scaffold.ScaffoldedJob attribute) (httk.workflow.ScaffoldedJob attribute) (httk.workflow.sdk.ChildSpec attribute) takeover_grace_factor (httk.workflow.TaskManager attribute) tan() (in module httk.core.exactmath) (in module httk.core.vectors.vectormath) tanh() (in module httk.core.vectors.vectormath) target (httk.core.storage.markers.WeakLink attribute) (httk.core.storage.WeakLink attribute) (httk.core.WeakLink attribute) (httk.serve.dsp.AgreementRecord attribute) (httk.serve.dsp.models.AgreementRecord attribute) (httk.serve.dsp.models.OfferProfile attribute) (httk.serve.dsp.OfferProfile attribute) (httk.serve.http.openapi.binding.OperationBinding attribute) (httk.serve.http.openapi.OperationBinding attribute) (httk.serve.optimade.backend.adapter.EntrySource attribute) (httk.serve.optimade.backend.EntrySource attribute) (httk.serve.optimade.backend.memory_store.MemoryVariable attribute) (httk.serve.optimade.EntrySource attribute) (httk.store.backend.schema.ChildTableSpec attribute) (httk.store.backend.schema.FieldSpec attribute) (httk.store.backend.schema.LinkSpec attribute) target() (httk.store.federated_store.FederatedStore method) (httk.store.FederatedStore method) target_column (httk.store.backend.sql.graph.LogicalEdge attribute) target_id (httk.core.ProductLink attribute) (httk.core.provenance.ProductLink attribute) TARGET_LID_COLUMN (in module httk.store.backend.sql.mapping) target_table (httk.store.backend.sql.graph.LogicalEdge attribute) target_type (httk.core.ProductLink attribute) (httk.core.provenance.ProductLink attribute) targets (httk.store.federated_store.FederatedTarget attribute) (httk.store.FederatedTarget attribute) task_file() (in module httk.workflow.compat.v1) task_id (httk.workflow.compat.v1.V1FinishedTask attribute) TaskManager (class in httk.workflow) taskset (httk.workflow.compat.v1.V1FinishedTask attribute) tell() (httk.core.BytestreamFileView method) (httk.core.datastream.bytestream_common.BytestreamCommon method) (httk.core.datastream.bytestream_file_view.BytestreamFileView method) (httk.core.datastream.BytestreamCommon method) (httk.core.datastream.BytestreamFileView method) (httk.core.datastream.textstream_common.TextstreamCommon method) (httk.core.datastream.textstream_file_view.TextstreamFileView method) (httk.core.datastream.TextstreamCommon method) (httk.core.datastream.TextstreamFileView method) (httk.core.TextstreamFileView method) temperature (httk.atomistic.integrations.vasp.io.outcar.OutcarFrame attribute) (httk.atomistic.integrations.vasp.io.OutcarFrame attribute) template (httk.core.project.templates.TemplateInstantiateRequest attribute) template_dir (httk.serve.web.model.config.SiteConfig property) (httk.serve.web.model.SiteConfig property) (httk.serve.web.templating.jinja2_engine.JinjaTemplateEngine attribute) (httk.serve.web.templating.JinjaTemplateEngine attribute) template_engine (httk.serve.web.engine.site_engine.SiteEngine attribute) (httk.serve.web.engine.SiteEngine attribute) template_instantiate_main() (in module httk.core.project.templates) TEMPLATE_MANIFEST (in module httk.core.project.templates) template_name (httk.serve.web.templating.base.TemplateRenderInput attribute) (httk.serve.web.templating.TemplateRenderInput attribute) template_subdir (httk.serve.web.model.config.SiteConfig attribute) (httk.serve.web.model.SiteConfig attribute) template_suffixes (httk.serve.web.templating.jinja2_engine.JinjaTemplateEngine attribute) (httk.serve.web.templating.JinjaTemplateEngine attribute) TEMPLATE_SUFFIXES (in module httk.serve.web.templating.jinja2_engine) TemplateEngine (class in httk.serve.web.templating) (class in httk.serve.web.templating.base) TemplateInstantiateRequest (class in httk.core.project.templates) TemplateParameter (class in httk.core.project.templates) TemplateRenderInput (class in httk.serve.web.templating) (class in httk.serve.web.templating.base) templates (httk.core.plugins.installed.PluginManifest attribute) (httk.core.plugins.manifest.PluginManifest attribute) (httk.core.plugins.PluginManifest attribute) TERMINAL_KINDS (in module httk.workflow.protocol) terminate_negotiation() (httk.serve.dsp.DspProvider method) (httk.serve.dsp.provider.DspProvider method) terminate_transfer() (httk.serve.dsp.DspProvider method) (httk.serve.dsp.provider.DspProvider method) termination (httk.workflow.supervision.ProcessReport attribute) text (httk.core.optimade.OptimadeDocument attribute) (httk.core.optimade.resources.OptimadeDocument attribute) (httk.store.backend.mongo.searcher.StringMatchNode attribute) TextstreamAPI (class in httk.core.datastream.textstream_api) TextstreamBackend (class in httk.core.datastream) (class in httk.core.datastream.textstream_backend) TextstreamCommon (class in httk.core.datastream) (class in httk.core.datastream.textstream_common) TextstreamFile (class in httk.core.datastream) (class in httk.core.datastream.textstream_file) TextstreamFilename (class in httk.core.datastream) (class in httk.core.datastream.textstream_filename) TextstreamFilenameView (class in httk.core.datastream) (class in httk.core.datastream.textstream_filename_view) TextstreamFileView (class in httk.core) (class in httk.core.datastream) (class in httk.core.datastream.textstream_file_view) TextstreamLike (in module httk.core) (in module httk.core.datastream) (in module httk.core.datastream.textstream_like) TextstreamRequest (class in httk.core.datastream) (class in httk.core.datastream.textstream_request) TextstreamRequestView (class in httk.core.datastream) (class in httk.core.datastream.textstream_request_view) TextstreamString (class in httk.core.datastream) (class in httk.core.datastream.textstream_string) TextstreamStringView (class in httk.core.datastream) (class in httk.core.datastream.textstream_string_view) TextstreamURL (class in httk.core.datastream) (class in httk.core.datastream.textstream_url) TextstreamURLView (class in httk.core) (class in httk.core.datastream) (class in httk.core.datastream.textstream_url_view) TextstreamView (class in httk.core.datastream) (class in httk.core.datastream.textstream_view) thaw_json() (in module httk.serve) (in module httk.serve.dsp.models) (in module httk.serve.jsondata) tick() (httk.workflow.TaskManager method) timed_out (httk.workflow.runtime.CommandResult attribute) (httk.workflow.supervision.ProcessReport property) timeline() (in module httk.workflow.collecting) timeout (httk.core.datastream.datastream_url.DatastreamURL property) (httk.core.datastream.DatastreamURL property) (httk.core.DatastreamURL property) timeout_message() (httk.workflow.WorkCensus method) timestamp (httk.serve.dsp.AgreementRecord attribute) (httk.serve.dsp.models.AgreementRecord attribute) (httk.workflow.supervision.SourceEvent attribute) timestamp_handler() (in module httk.serve.optimade.backend.handlers) (in module httk.store.query.optimade_filters) timestamp_output (httk.store.backend.mongo.stored_properties.MongoStoredPropertyCandidateStream attribute) (httk.store.backend.sql.stored_properties.StoredPropertySqlCandidateStream attribute) timing (httk.store.backend.mongo.leases.Lease attribute) titel (httk.workflow.vasp.PotcarChoice attribute) title (httk.core.Dataset attribute) (httk.core.datasets.Dataset attribute) (httk.core.entry_types.Reference attribute) (httk.core.property_definitions.PropertyDefinition property) (httk.core.PropertyDefinition property) (httk.core.Reference attribute) (httk.core.Service attribute) (httk.core.services.Service attribute) (httk.serve.dsp.CatalogueProfile attribute) (httk.serve.dsp.DataServiceProfile attribute) (httk.serve.dsp.DcatDataServiceProfile attribute) (httk.serve.dsp.models.CatalogueProfile attribute) (httk.serve.dsp.models.DataServiceProfile attribute) (httk.serve.dsp.models.DcatDataServiceProfile attribute) TMP_MAXIMUM_AGE_SECONDS (in module httk.workflow.hygiene) to_base36() (in module httk.workflow.protocol) to_decimal() (httk.core.SurdScalar method) (httk.core.vectors.SurdScalar method) (httk.core.vectors.surdvector.SurdScalar method)

to_float() (httk.core.SurdScalar method) (httk.core.vectors.fracvector.FracVectorBase method) (httk.core.vectors.SurdScalar method) (httk.core.vectors.surdvector.SurdScalar method) (httk.core.vectors.vector_api.VectorAPI method) (httk.core.vectors.vector_numpy_backend.VectorNumpyBackend method) (httk.core.vectors.VectorAPI method) to_floats() (httk.core.SurdVector method) (httk.core.vectors.fracvector.FracVectorBase method) (httk.core.vectors.SurdVector method) (httk.core.vectors.surdvector.SurdVector method) (httk.core.vectors.vector_api.VectorAPI method) (httk.core.vectors.vector_numpy_backend.VectorNumpyBackend method) (httk.core.vectors.VectorAPI method) to_fraction() (httk.core.vectors.fracvector.FracVectorBase method) to_fractions() (httk.core.vectors.fracvector.FracVectorBase method) to_fractions_approx() (httk.core.SurdVector method) (httk.core.vectors.SurdVector method) (httk.core.vectors.surdvector.SurdVector method) to_fracvector() (httk.store.backend.sql.results.ResultColumn method) to_numeric() (in module httk.core) (in module httk.core.vectors) (in module httk.core.vectors.numeric) to_numeric_scalar() (in module httk.core) (in module httk.core.vectors) (in module httk.core.vectors.numeric) to_payload() (in module httk.analyse.crysviz) to_setting() (httk.atomistic.SettingTransform method) (httk.atomistic.symmetry.setting_transform.SettingTransform method) (httk.atomistic.symmetry.SettingTransform method) to_standard() (httk.atomistic.SettingTransform method) (httk.atomistic.symmetry.setting_transform.SettingTransform method) (httk.atomistic.symmetry.SettingTransform method) to_tuple() (httk.core.vectors.fracvector.FracVectorBase method) to_xyz() (httk.atomistic.AffineOperation method) (httk.atomistic.symmetry.affine_operation.AffineOperation method) (httk.atomistic.symmetry.AffineOperation method) token_ttl_seconds (httk.serve.web.widgets.table.TableRuntime attribute) TOKEN_VERSION (in module httk.serve.web.widgets.table) total (httk.atomistic.composition.CompositionDiagnostic attribute) (httk.atomistic.models.formula.CompositionDiagnostic attribute) (httk.atomistic.models.formula.diagnostics.CompositionDiagnostic attribute) (httk.serve.web.providers.TablePage attribute) (httk.serve.web.TablePage attribute) (httk.store.query.protocols.ResultPage attribute) (httk.store.query.ResultPage attribute) (httk.store.ResultPage attribute) total_attempts (httk.workflow.protocol.AttemptContext attribute) (httk.workflow.protocol.StateFrame property) (httk.workflow.runtime.AttemptContext attribute) total_count (httk.store.backend.sql.stored_federation.StoredEntryPage attribute) trajectories_entry_info() (in module httk.serve.optimade.schema.trajectories) Trajectory (class in httk.atomistic) (class in httk.atomistic.models.trajectory) (class in httk.atomistic.models.trajectory.trajectory) TRAJECTORY_FRAME_MATERIALIZATION_LIMIT (in module httk.atomistic.entries.trajectories) TrajectoryAPI (class in httk.atomistic.models.trajectory) (class in httk.atomistic.models.trajectory.api) TrajectoryBackend (class in httk.atomistic.models.trajectory) (class in httk.atomistic.models.trajectory.backend) TrajectoryEntry (class in httk.atomistic) (class in httk.atomistic.entries.trajectories) TrajectoryEntryProvider (class in httk.atomistic) (class in httk.atomistic.entries.trajectories) TrajectoryJsonlFile (class in httk.atomistic.io.optimade_jsonl) TrajectoryLike (in module httk.atomistic) (in module httk.atomistic.models.trajectory) (in module httk.atomistic.models.trajectory.like) TrajectoryRecord (class in httk.atomistic) (class in httk.atomistic.storage) (class in httk.atomistic.storage.records) TrajectoryView (class in httk.atomistic) (class in httk.atomistic.models.trajectory) (class in httk.atomistic.models.trajectory.view) transaction (httk.workflow.protocol.ReplayableWorkdirBatch attribute) transaction() (httk.store.backend.mongo.store.MongoStore method) (httk.store.backend.sql.store.SqlStore method) (httk.workflow.protocol.OutcomeDraft method) transactional_ddl (httk.store.backend.sql.layout.BackendFacts attribute) transactional_dml (httk.store.backend.sql.layout.BackendFacts attribute) TransactionBuilder (class in httk.workflow.protocol) TransactionError, [1], [2] TransactionsUnavailableError transfer() (httk.serve.dsp.state.DspState method) TRANSFER_DIRECTORY (in module httk.workflow.transfers) transfer_for_consumer() (httk.serve.dsp.state.DspState method) TRANSFER_FORMAT (in module httk.workflow.transfers) TRANSFER_FORMAT_VERSION (in module httk.workflow.transfers) TRANSFER_MANIFEST (in module httk.workflow.transfers) TRANSFER_OFFER_FORMAT (in module httk.workflow.transfers) TRANSFER_RETIREMENT_FORMAT (in module httk.workflow.transfers) TRANSFER_RUNNERS (in module httk.workflow.transfers) TransferCandidate (class in httk.workflow.transfers) TransferRecord (class in httk.serve.dsp) (class in httk.serve.dsp.models) transform (httk.atomistic.ConventionalCellResult attribute) (httk.atomistic.FundamentalDomainStructure property) (httk.atomistic.models.structure.asu.FundamentalDomainStructure property) (httk.atomistic.models.structure.FundamentalDomainStructure property) (httk.atomistic.NiggliReducedStructureResult attribute) (httk.atomistic.NiggliReductionResult attribute) (httk.atomistic.PrimitiveCellResult attribute) (httk.atomistic.reduction.NiggliReducedStructureResult attribute) (httk.atomistic.reduction.NiggliReductionResult attribute) (httk.atomistic.symmetry.primitive.PrimitiveCellResult attribute) (httk.atomistic.symmetry.standardization.ConventionalCellResult attribute) transform_from_standard (httk.atomistic.FundamentalDomainStructure property) (httk.atomistic.models.structure.asu.FundamentalDomainStructure property) (httk.atomistic.models.structure.FundamentalDomainStructure property) (httk.atomistic.Spacegroup property) (httk.atomistic.symmetry.Spacegroup property) (httk.atomistic.symmetry.spacegroup.Spacegroup property) transformation (httk.atomistic.supercell.SupercellResult attribute) (httk.atomistic.SupercellResult attribute) transition() (httk.workflow.Workspace method) TransitionLostError, [1], [2] translate_filter() (in module httk.serve.optimade.backend) (in module httk.serve.optimade.backend.translation) translate_filter_ast() (in module httk.store.query.optimade_filters) translate_filter_node() (in module httk.serve.optimade.backend) (in module httk.serve.optimade.backend.translation) translator_error_from() (in module httk.serve.optimade.model.errors) TranslatorError, [1], [2] trash_days (httk.workflow.protocol.RetentionPolicy attribute) tree (httk.core.docs.CommitSiteResult attribute) (httk.core.docs.gitsite.CommitSiteResult attribute) tree_digest() (in module httk.core.digests) true_handler() (in module httk.serve.optimade.backend.handlers) (in module httk.store.query.optimade_filters) trunc() (in module httk.core.vectors.vectormath) trust_project_key() (in module httk.core.project) (in module httk.core.project.anchor) (in module httk.workflow.projects) trusted (httk.core.project.manifests.ManifestVerification property) (httk.core.project.ManifestVerification property) (httk.workflow.manifests.ManifestVerification property) trusted_html() (in module httk.serve.web.widgets) (in module httk.serve.web.widgets.core) trusted_keys (httk.core.project.manifests.ManifestVerification attribute) (httk.core.project.ManifestVerification attribute) (httk.workflow.manifests.ManifestVerification attribute) trusted_project_keys() (in module httk.core.project) (in module httk.core.project.anchor) (in module httk.workflow.projects) try_parse_anonymous() (in module httk.atomistic.models.formula) (in module httk.atomistic.models.formula.notation) try_parse_protostructure() (in module httk.atomistic.models.prototype.notation) try_parse_prototype() (in module httk.atomistic.models.prototype.notation) try_parse_reduced() (in module httk.atomistic.models.formula) (in module httk.atomistic.models.formula.notation) type (httk.atomistic.ASUStructureRecord property) (httk.atomistic.entries.prototypes.ProtostructureEntry attribute) (httk.atomistic.entries.prototypes.PrototypeEntry attribute) (httk.atomistic.entries.structures.StructureEntry attribute) (httk.atomistic.entries.trajectories.TrajectoryEntry attribute) (httk.atomistic.FundamentalDomainStructureRecord property) (httk.atomistic.models.structure.optimade.OptimadeStructure property) (httk.atomistic.models.structure.OptimadeStructure property) (httk.atomistic.models.structure.semantics.StructureSemanticsMixin property) (httk.atomistic.models.structure.StructureSemanticsMixin property) (httk.atomistic.OptimadeStructure property) (httk.atomistic.storage.ASUStructureRecord property) (httk.atomistic.storage.FundamentalDomainStructureRecord property) (httk.atomistic.storage.records.ASUStructureRecord property) (httk.atomistic.storage.records.FundamentalDomainStructureRecord property) (httk.atomistic.storage.records.TrajectoryRecord property) (httk.atomistic.storage.records.UnitcellStructureRecord property) (httk.atomistic.storage.TrajectoryRecord property) (httk.atomistic.storage.UnitcellStructureRecord property) (httk.atomistic.StructureEntry attribute) (httk.atomistic.TrajectoryEntry attribute) (httk.atomistic.TrajectoryRecord property) (httk.atomistic.UnitcellStructureRecord property) (httk.core.data_records.DataRecord property) (httk.core.data_records.DataRecordEntry attribute) (httk.core.DataRecord property) (httk.core.DataRecordEntry attribute) (httk.core.FileEntry attribute) (httk.core.FileRecord property) (httk.core.files.FileEntry attribute) (httk.core.files.FileRecord property) (httk.core.optimade.entries.OptimadeEntryBackend property) (httk.core.optimade.entries.OptimadeEntryView property) (httk.core.optimade.OptimadeEntryBackend property) (httk.core.optimade.OptimadeEntryView property) (httk.core.optimade.OptimadeResource property) (httk.core.optimade.resources.OptimadeResource property) (httk.core.project.templates.TemplateParameter attribute) (httk.core.provenance.Run property) (httk.core.provenance.RunEntry attribute) (httk.core.Run property) (httk.core.RunEntry attribute) (httk.serve.dsp.config.DspPublicationEntry attribute) (httk.serve.dsp.DspPublicationEntry attribute) (httk.workflow.languages.cwl.FileRecord property) type_ (httk.core.dataset_loader.DatasetMeta attribute) (httk.core.DatasetMeta attribute) type_in_base (httk.store.EntryIdScheme attribute) (httk.store.store_common.EntryIdScheme attribute)

U

uid (httk.workflow.TaskManager attribute) uncertainties (httk.atomistic.ChemicalFormulaView property) (httk.atomistic.Composition attribute) (httk.atomistic.CompositionView property) (httk.atomistic.FormulatypeView property) (httk.atomistic.models.formula.api.ChemicalFormulaAPI property) (httk.atomistic.models.formula.ChemicalFormulaAPI property) (httk.atomistic.models.formula.ChemicalFormulaView property) (httk.atomistic.models.formula.Composition attribute) (httk.atomistic.models.formula.composition.Composition attribute) (httk.atomistic.models.formula.composition_view.CompositionView property) (httk.atomistic.models.formula.CompositionView property) (httk.atomistic.models.formula.formula_view.ChemicalFormulaView property) (httk.atomistic.models.formula.formulatype_view.FormulatypeView property) (httk.atomistic.models.formula.FormulatypeView property) (httk.atomistic.models.formula.plain.PlainComposition property) (httk.atomistic.models.formula.record.RecordComposition property) (httk.atomistic.models.formula.structure.StructureComposition property) (httk.atomistic.models.formula.wyckoff.WyckoffComposition property) uncertainty_mapping (httk.atomistic.Composition property) (httk.atomistic.models.formula.Composition property) (httk.atomistic.models.formula.composition.Composition property) unchanged (httk.core.docs.ComposeResult attribute) (httk.core.docs.sitetree.ComposeResult attribute) unclean_restart (httk.workflow.protocol.StateFrame property) unfulfilled (httk.workflow.CollectedJob attribute) (httk.workflow.collecting.CollectedJob attribute) uninstall_plugin() (in module httk.core.plugins) (in module httk.core.plugins.install) Unique (class in httk.core) (class in httk.core.storage) (class in httk.core.storage.markers) unique (httk.store.backend.mongo.mapping.IndexSpec attribute) (httk.store.backend.schema.ColumnSpec attribute) unit (httk.core.property_definitions.PropertyDefinition property) (httk.core.PropertyDefinition property) unitcell_structure_properties() (in module httk.atomistic.storage.stored_properties) UnitcellStructure (class in httk.atomistic) (class in httk.atomistic.models.structure) (class in httk.atomistic.models.structure.unitcell) UnitcellStructureRecord (class in httk.atomistic) (class in httk.atomistic.storage) (class in httk.atomistic.storage.records) UnitcellStructureView (class in httk.atomistic) (class in httk.atomistic.models.structure) (class in httk.atomistic.models.structure.unitcell_view) universal (httk.store.backend.mongo.searcher.LinkPredicateNode attribute) unknown_comparison_handler() (in module httk.serve.optimade.backend.handlers) (in module httk.store.query.optimade_filters) unknown_compositions (httk.analyse.matsci.phase_diagrams.PhaseDiagram property) (httk.analyse.matsci.PhaseDiagram property) unknown_has_handler() (in module httk.serve.optimade.backend.handlers) (in module httk.store.query.optimade_filters) unknown_ids (httk.analyse.matsci.phase_diagrams.PhaseDiagram property) (httk.analyse.matsci.PhaseDiagram property) unknown_length_handler() (in module httk.serve.optimade.backend.handlers) (in module httk.store.query.optimade_filters) unknown_response_fields (httk.serve.optimade.backend.execution.StoreResults attribute) (httk.serve.optimade.backend.StoreResults attribute) (httk.serve.optimade.schema.served.ServedSchema attribute) unknown_stringmatching_handler() (in module httk.serve.optimade.backend.handlers) (in module httk.store.query.optimade_filters) unknown_unknown_handler() (in module httk.serve.optimade.backend.handlers) (in module httk.store.query.optimade_filters) unlink() (httk.store.backend.mongo.store.MongoStore method) (httk.store.backend.sql.store.SqlStore method) unreadable (httk.workflow.WorkCensus attribute) unrecognized_response_fields (httk.serve.optimade.model.request.ValidatedRequest attribute) (httk.serve.optimade.model.ValidatedRequest attribute) (httk.serve.optimade.ValidatedRequest attribute) unregister_project_member() (in module httk.core.project) (in module httk.core.project.members) unsafe_isolated_takeover (httk.workflow.TaskManager attribute) unsafe_persistent_takeover (httk.workflow.protocol.AttemptContext attribute) (httk.workflow.protocol.StateFrame property) (httk.workflow.runtime.AttemptContext attribute) (httk.workflow.TaskManager attribute) unscaled_basis (httk.atomistic.Cell property) (httk.atomistic.CellParams property) (httk.atomistic.models.cell.api.CellAPI property) (httk.atomistic.models.cell.Cell property) (httk.atomistic.models.cell.cell.Cell property) (httk.atomistic.models.cell.CellAPI property) (httk.atomistic.models.cell.CellParams property) (httk.atomistic.models.cell.numeric.NumericCell property) (httk.atomistic.models.cell.NumericCell property) (httk.atomistic.models.cell.params.CellParams property) (httk.atomistic.models.cell.plain.PlainCell property) (httk.atomistic.models.cell.PlainCell property) (httk.atomistic.models.cell.record.RecordCell property) unseal_project() (in module httk.core.project) (in module httk.core.project.sealing) unset_config_key() (in module httk.workflow.configuration) unset_setting() (httk.workflow.Workspace method) unset_workflow_prelude() (httk.workflow.Workspace method) UnstableIdentityError UnsupportedCwlError UnsupportedExtensionError, [1], [2] UnsupportedQueryError, [1], [2] unview() (httk.atomistic.ASUStructureView method) (httk.atomistic.CartesianSiteMomentsView method) (httk.atomistic.CellParamsView method) (httk.atomistic.CellView method) (httk.atomistic.ChemicalFormulaView method) (httk.atomistic.CompositionView method) (httk.atomistic.CrystalAxisSiteMomentsView method) (httk.atomistic.FormulatypeView method) (httk.atomistic.FundamentalDomainTemplateView method) (httk.atomistic.integrations.ase.view.ASEAtomsView method) (httk.atomistic.integrations.pymatgen.view.PymatgenStructureView method) (httk.atomistic.models.cell.CellNumericView method) (httk.atomistic.models.cell.CellParamsView method) (httk.atomistic.models.cell.CellView method) (httk.atomistic.models.cell.numeric_view.CellNumericView method) (httk.atomistic.models.cell.params_view.CellParamsView method) (httk.atomistic.models.cell.plain_view.PlainCellView method) (httk.atomistic.models.cell.PlainCellView method) (httk.atomistic.models.cell.view.CellView method) (httk.atomistic.models.formula.ChemicalFormulaView method) (httk.atomistic.models.formula.composition_view.CompositionView method) (httk.atomistic.models.formula.CompositionView method) (httk.atomistic.models.formula.formula_view.ChemicalFormulaView method) (httk.atomistic.models.formula.formulatype_view.FormulatypeView method) (httk.atomistic.models.formula.FormulatypeView method) (httk.atomistic.models.moments.cartesian_view.CartesianSiteMomentsView method) (httk.atomistic.models.moments.CartesianSiteMomentsView method) (httk.atomistic.models.moments.crystalaxis_view.CrystalAxisSiteMomentsView method) (httk.atomistic.models.moments.CrystalAxisSiteMomentsView method) (httk.atomistic.models.protostructure.label.ProtostructureLabel method) (httk.atomistic.models.protostructure.view.ProtostructureView method) (httk.atomistic.models.prototype.label.PrototypeLabel method) (httk.atomistic.models.prototype.view.PrototypeView method) (httk.atomistic.models.sites.numeric_view.SitesNumericView method) (httk.atomistic.models.sites.plain_view.PlainSitesView method) (httk.atomistic.models.sites.PlainSitesView method) (httk.atomistic.models.sites.SitesNumericView method) (httk.atomistic.models.sites.SitesView method) (httk.atomistic.models.sites.view.SitesView method) (httk.atomistic.models.species.plain_view.PlainSpeciesView method) (httk.atomistic.models.species.PlainSpeciesView method) (httk.atomistic.models.species.SpeciesView method) (httk.atomistic.models.species.view.SpeciesView method) (httk.atomistic.models.structure.asu_view.ASUStructureView method) (httk.atomistic.models.structure.numeric_view.NumericUnitcellStructureView method) (httk.atomistic.models.structure.NumericUnitcellStructureView method) (httk.atomistic.models.structure.plain_view.PlainStructureView method) (httk.atomistic.models.structure.PlainStructureView method) (httk.atomistic.models.structure.unitcell_view.UnitcellStructureView method) (httk.atomistic.models.structure.UnitcellStructureView method) (httk.atomistic.models.structuretype.fundamental_view.FundamentalDomainTemplateView method) (httk.atomistic.models.structuretype.view.StructuretypeView method) (httk.atomistic.NumericUnitcellStructureView method) (httk.atomistic.PlainSpeciesView method) (httk.atomistic.PlainStructureView method) (httk.atomistic.ProtostructureLabel method) (httk.atomistic.ProtostructureView method) (httk.atomistic.PrototypeLabel method) (httk.atomistic.PrototypeView method) (httk.atomistic.SitesView method) (httk.atomistic.SpeciesView method) (httk.atomistic.StructuretypeView method) (httk.atomistic.UnitcellStructureView method) (httk.core.datastream.bytestream_bytes_view.BytestreamBytesView method) (httk.core.datastream.bytestream_filename_view.BytestreamFilenameView method) (httk.core.datastream.BytestreamBytesView method) (httk.core.datastream.BytestreamFilenameView method) (httk.core.datastream.textstream_filename_view.TextstreamFilenameView method) (httk.core.datastream.textstream_string_view.TextstreamStringView method) (httk.core.datastream.TextstreamFilenameView method) (httk.core.datastream.TextstreamStringView method) (httk.core.vectors.vector_frac_view.VectorFracView method) (httk.core.vectors.vector_native_view.VectorNativeView method) (httk.core.vectors.vector_numpy_view.VectorNumpyView method) (httk.core.vectors.vector_surd_view.VectorSurdView method) (httk.core.vectors.VectorFracView method) (httk.core.vectors.VectorNativeView method) (httk.core.vectors.VectorSurdView method) (httk.core.View method) (httk.core.views.View method) (httk.core.views.view.View method) (in module httk.core) (in module httk.core.views) (in module httk.core.views.unviewing) unwrap() (httk.atomistic.ASEAtoms method) (httk.atomistic.ASUStructureView method) (httk.atomistic.CellParams method) (httk.atomistic.CellParamsView method) (httk.atomistic.CellView method) (httk.atomistic.ChemicalFormulaView method) (httk.atomistic.CompositionView method) (httk.atomistic.DatastreamStructure method) (httk.atomistic.FormulatypeView method) (httk.atomistic.FundamentalDomainTemplateView method) (httk.atomistic.integrations.ase.ASEAtoms method) (httk.atomistic.integrations.ase.models.ASEAtoms method) (httk.atomistic.integrations.ase.view.ASEAtomsView method) (httk.atomistic.integrations.ASEAtoms method) (httk.atomistic.integrations.pymatgen.models.PymatgenStructure method) (httk.atomistic.integrations.pymatgen.PymatgenStructure method) (httk.atomistic.integrations.pymatgen.view.PymatgenStructureView method) (httk.atomistic.integrations.PymatgenStructure method) (httk.atomistic.integrations.vasp.structure.VASPStructure method) (httk.atomistic.integrations.vasp.trajectory.VASPTrajectory method) (httk.atomistic.integrations.vasp.VASPStructure method) (httk.atomistic.integrations.vasp.VASPTrajectory method) (httk.atomistic.integrations.VASPStructure method) (httk.atomistic.integrations.VASPTrajectory method) (httk.atomistic.JsonlTrajectory method) (httk.atomistic.models.cell.CellNumericView method) (httk.atomistic.models.cell.CellParams method) (httk.atomistic.models.cell.CellParamsView method) (httk.atomistic.models.cell.CellView method) (httk.atomistic.models.cell.numeric_view.CellNumericView method) (httk.atomistic.models.cell.params.CellParams method) (httk.atomistic.models.cell.params_view.CellParamsView method) (httk.atomistic.models.cell.plain.PlainCell method) (httk.atomistic.models.cell.plain_view.PlainCellView method) (httk.atomistic.models.cell.PlainCell method) (httk.atomistic.models.cell.PlainCellView method) (httk.atomistic.models.cell.record.RecordCell method) (httk.atomistic.models.cell.view.CellView method) (httk.atomistic.models.formula.ChemicalFormulaView method) (httk.atomistic.models.formula.composition_view.CompositionView method) (httk.atomistic.models.formula.CompositionView method) (httk.atomistic.models.formula.formula_string.FormulaString method) (httk.atomistic.models.formula.formula_view.ChemicalFormulaView method) (httk.atomistic.models.formula.FormulaString method) (httk.atomistic.models.formula.formulatype_string.FormulatypeString method) (httk.atomistic.models.formula.formulatype_view.FormulatypeView method) (httk.atomistic.models.formula.FormulatypeString method) (httk.atomistic.models.formula.FormulatypeView method) (httk.atomistic.models.formula.plain.PlainComposition method) (httk.atomistic.models.formula.record.RecordComposition method) (httk.atomistic.models.formula.structure.StructureComposition method) (httk.atomistic.models.formula.wyckoff.WyckoffComposition method) (httk.atomistic.models.protostructure.label.ProtostructureLabel method) (httk.atomistic.models.protostructure.label_string.ProtostructureLabelString method) (httk.atomistic.models.protostructure.recognized.RecognizedProtostructure method) (httk.atomistic.models.protostructure.view.ProtostructureView method) (httk.atomistic.models.prototype.derived.DerivedPrototype method) (httk.atomistic.models.prototype.label.PrototypeLabel method) (httk.atomistic.models.prototype.label_string.PrototypeLabelString method) (httk.atomistic.models.prototype.recognized.RecognizedPrototype method) (httk.atomistic.models.prototype.view.PrototypeView method) (httk.atomistic.models.sites.numeric_view.SitesNumericView method) (httk.atomistic.models.sites.plain.PlainSites method) (httk.atomistic.models.sites.plain_view.PlainSitesView method) (httk.atomistic.models.sites.PlainSites method) (httk.atomistic.models.sites.PlainSitesView method) (httk.atomistic.models.sites.record.RecordSites method) (httk.atomistic.models.sites.SitesNumericView method) (httk.atomistic.models.sites.SitesView method) (httk.atomistic.models.sites.view.SitesView method) (httk.atomistic.models.species.plain.PlainSpecies method) (httk.atomistic.models.species.plain_view.PlainSpeciesView method) (httk.atomistic.models.species.PlainSpecies method) (httk.atomistic.models.species.PlainSpeciesView method) (httk.atomistic.models.species.record.RecordSpecies method) (httk.atomistic.models.species.SpeciesView method) (httk.atomistic.models.species.view.SpeciesView method) (httk.atomistic.models.structure.asu_view.ASUStructureView method) (httk.atomistic.models.structure.datastream.DatastreamStructure method) (httk.atomistic.models.structure.DatastreamStructure method) (httk.atomistic.models.structure.numeric.NumericUnitcellStructure method) (httk.atomistic.models.structure.numeric_view.NumericUnitcellStructureView method) (httk.atomistic.models.structure.NumericUnitcellStructure method) (httk.atomistic.models.structure.NumericUnitcellStructureView method) (httk.atomistic.models.structure.optimade.OptimadeStructure method) (httk.atomistic.models.structure.OptimadeStructure method) (httk.atomistic.models.structure.plain.PlainStructure method) (httk.atomistic.models.structure.plain_view.PlainStructureView method) (httk.atomistic.models.structure.PlainStructure method) (httk.atomistic.models.structure.PlainStructureView method) (httk.atomistic.models.structure.record.RecordStructure method) (httk.atomistic.models.structure.RecordStructure method) (httk.atomistic.models.structure.unitcell_view.UnitcellStructureView method) (httk.atomistic.models.structure.UnitcellStructureView method) (httk.atomistic.models.structuretype.anonymized.AnonymizedStructure method) (httk.atomistic.models.structuretype.fundamental_view.FundamentalDomainTemplateView method) (httk.atomistic.models.structuretype.view.StructuretypeView method) (httk.atomistic.models.trajectory.jsonl.JsonlTrajectory method) (httk.atomistic.models.trajectory.JsonlTrajectory method) (httk.atomistic.models.trajectory.plain.PlainTrajectory method) (httk.atomistic.models.trajectory.PlainTrajectory method) (httk.atomistic.models.trajectory.record.RecordTrajectory method) (httk.atomistic.models.trajectory.TrajectoryView method) (httk.atomistic.models.trajectory.view.TrajectoryView method) (httk.atomistic.NumericUnitcellStructureView method) (httk.atomistic.OptimadeStructure method) (httk.atomistic.PlainSpeciesView method) (httk.atomistic.PlainStructureView method) (httk.atomistic.PlainTrajectory method) (httk.atomistic.ProtostructureLabel method) (httk.atomistic.ProtostructureView method) (httk.atomistic.PrototypeLabel method) (httk.atomistic.PrototypeView method) (httk.atomistic.PymatgenStructure method) (httk.atomistic.SitesView method) (httk.atomistic.SpeciesView method) (httk.atomistic.StructuretypeView method) (httk.atomistic.TrajectoryView method) (httk.atomistic.UnitcellStructureView method) (httk.atomistic.VASPStructure method) (httk.atomistic.VASPTrajectory method) (httk.core.Backend method) (httk.core.BytestreamFileView method) (httk.core.BytestreamURLView method) (httk.core.datastream.bytestream_bytes_view.BytestreamBytesView method) (httk.core.datastream.bytestream_common.BytestreamCommon method) (httk.core.datastream.bytestream_file_view.BytestreamFileView method) (httk.core.datastream.bytestream_filename_view.BytestreamFilenameView method) (httk.core.datastream.bytestream_request_view.BytestreamRequestView method) (httk.core.datastream.bytestream_url_view.BytestreamURLView method) (httk.core.datastream.BytestreamBytesView method) (httk.core.datastream.BytestreamCommon method) (httk.core.datastream.BytestreamFilenameView method) (httk.core.datastream.BytestreamFileView method) (httk.core.datastream.BytestreamRequestView method) (httk.core.datastream.BytestreamURLView method) (httk.core.datastream.textstream_common.TextstreamCommon method) (httk.core.datastream.textstream_file_view.TextstreamFileView method) (httk.core.datastream.textstream_filename_view.TextstreamFilenameView method) (httk.core.datastream.textstream_request_view.TextstreamRequestView method) (httk.core.datastream.textstream_string_view.TextstreamStringView method) (httk.core.datastream.textstream_url_view.TextstreamURLView method) (httk.core.datastream.TextstreamCommon method) (httk.core.datastream.TextstreamFilenameView method) (httk.core.datastream.TextstreamFileView method) (httk.core.datastream.TextstreamRequestView method) (httk.core.datastream.TextstreamStringView method) (httk.core.datastream.TextstreamURLView method) (httk.core.optimade.entries.OptimadeEntryBackend method) (httk.core.optimade.entries.OptimadeEntryView method) (httk.core.optimade.OptimadeEntryBackend method) (httk.core.optimade.OptimadeEntryView method) (httk.core.optimade.OptimadeResource method) (httk.core.optimade.resources.OptimadeResource method) (httk.core.TextstreamFileView method) (httk.core.TextstreamURLView method) (httk.core.vectors.vector_frac_view.VectorFracView method) (httk.core.vectors.vector_native_backend.VectorNativeBackend method) (httk.core.vectors.vector_native_view.VectorNativeView method) (httk.core.vectors.vector_numpy_backend.VectorNumpyBackend method) (httk.core.vectors.vector_numpy_view.VectorNumpyView method) (httk.core.vectors.vector_surd_view.VectorSurdView method) (httk.core.vectors.VectorFracView method) (httk.core.vectors.VectorNativeBackend method) (httk.core.vectors.VectorNativeView method) (httk.core.vectors.VectorSurdView method) (httk.core.View method) (httk.core.views.Backend method) (httk.core.views.backend.Backend method) (httk.core.views.View method) (httk.core.views.view.View method) (in module httk.core) (in module httk.core.views) (in module httk.core.views.unwrapping)

update_incar() (in module httk.workflow.vasp) update_project_member_path() (in module httk.core.project) (in module httk.core.project.members) updated() (httk.workflow.protocol.WorkspacePolicy method) url (httk.core.datastream.bytestream_request.BytestreamRequest property) (httk.core.datastream.bytestream_url.BytestreamURL property) (httk.core.datastream.BytestreamRequest property) (httk.core.datastream.BytestreamURL property) (httk.core.datastream.datastream_url.DatastreamURL property) (httk.core.datastream.DatastreamURL property) (httk.core.datastream.textstream_request.TextstreamRequest property) (httk.core.datastream.textstream_url.TextstreamURL property) (httk.core.datastream.TextstreamRequest property) (httk.core.datastream.TextstreamURL property) (httk.core.DatastreamURL property) (httk.core.entry_types.File attribute) (httk.core.entry_types.Reference attribute) (httk.core.File attribute) (httk.core.Reference attribute) url_for (httk.serve.web.widgets.core.WidgetContext attribute) (httk.serve.web.widgets.WidgetContext attribute) url_for() (httk.serve.web.ProviderContext method) (httk.serve.web.providers.ProviderContext method) url_stable_until (httk.core.entry_types.File attribute) (httk.core.File attribute) (httk.core.FileRecord attribute) (httk.core.files.FileRecord attribute) (httk.workflow.languages.cwl.FileRecord attribute) url_version (httk.serve.optimade.model.request.ValidatedRequest attribute) (httk.serve.optimade.model.ValidatedRequest attribute) (httk.serve.optimade.ValidatedRequest attribute) urn_uuid() (in module httk.serve.http) (in module httk.serve.http.identifiers) UtcClock (in module httk.serve.dsp) (in module httk.serve.dsp.provider) UuidFactory (in module httk.serve.dsp) (in module httk.serve.dsp.provider)

V

V1_PRIORITY_MAP (in module httk.workflow.compat.v1) (in module httk.workflow.languages.httk_v1) V1FinishedTask (class in httk.workflow.compat.v1) V2_TO_V1_PRIORITY (in module httk.workflow.languages.httk_v1) valid (httk.core.identity.DocumentSignature attribute) (httk.core.project.manifests.ManifestVerification property) (httk.core.project.ManifestVerification property) (httk.core.project.sealing.SealVerification attribute) (httk.core.project.SealVerification attribute) (httk.workflow.manifests.ManifestVerification property) valid_endpoints (httk.serve.optimade.schema.served.ServedSchema attribute) valid_remote_name() (in module httk.workflow.adapters) VALID_TRUSTED (in module httk.core.project.manifests) (in module httk.core.project.sealing) VALID_UNKNOWN_KEY (in module httk.core.project.manifests) (in module httk.core.project.sealing) validate() (httk.core.MutableFracVector method) (httk.core.vectors.fracvector.FracVectorBase method) (httk.core.vectors.MutableFracVector method) (httk.core.vectors.mutablefracvector.MutableFracVector method) (httk.serve.http.openapi.contract.OpenAPIContract method) (httk.serve.http.openapi.OpenAPIContract method) (httk.serve.http.openapi.OpenAPISchemaRegistry method) (httk.serve.http.openapi.schemas.OpenAPISchemaRegistry method) (httk.workflow.executors.PathRunnerExecutor method) (httk.workflow.executors.RunnerExecutor method) validate_adapter_bundle() (in module httk.workflow.adapters) validate_assemblies() (in module httk.atomistic.composition) validate_attempt_control() (in module httk.workflow.protocol) validate_bulk_tables() (in module httk.store.backend.clickhouse.support) validate_bundle() (in module httk.workflow.transfers) validate_catalogue_request() (httk.serve.dsp.catalogue.DspCataloguePolicy method) (httk.serve.dsp.catalogue.MinimalDspCataloguePolicy method) (httk.serve.dsp.DspCataloguePolicy method) (httk.serve.dsp.DspProvider method) (httk.serve.dsp.MinimalDspCataloguePolicy method) (httk.serve.dsp.provider.DspProvider method) validate_compression() (in module httk.core.datastream.compression) validate_declaration_name() (in module httk.workflow.protocol) validate_declarations() (in module httk.workflow.protocol) validate_descriptive_formula() (in module httk.atomistic.models.structure) (in module httk.atomistic.models.structure.semantics) validate_entry_id_fields() (in module httk.store.storage_layout) validate_failure() (in module httk.workflow.protocol) validate_hill_formula() (in module httk.atomistic.models.structure) (in module httk.atomistic.models.structure.semantics) validate_job_payload() (httk.workflow.Workspace method) validate_label() (in module httk.workflow.languages.httk_v1) (in module httk.workflow.protocol) validate_leaf_codec() (in module httk.core.vectors.leaf_codecs) validate_metadata_table() (in module httk.store.backend.clickhouse.support) validate_optimade_request() (in module httk.serve.optimade.engine) (in module httk.serve.optimade.engine.validate) validate_optimization_type() (in module httk.atomistic.models.structure) (in module httk.atomistic.models.structure.semantics) validate_parameters() (in module httk.workflow.protocol) validate_property() (in module httk.store) (in module httk.store.validation) validate_pwd_document() (in module httk.workflow.languages.pwd) validate_record() (in module httk.store) (in module httk.store.validation) validate_resources() (in module httk.workflow.protocol) validate_runner (httk.workflow.languages.cwl.WorkflowLanguage attribute) (httk.workflow.languages.httk_v1.WorkflowLanguage attribute) (httk.workflow.languages.jobflow.WorkflowLanguage attribute) (httk.workflow.languages.pwd.WorkflowLanguage attribute) (httk.workflow.languages.WorkflowLanguage attribute) validate_runner() (in module httk.workflow.languages.httk_v1) validate_runner_path() (in module httk.workflow.protocol) validate_sha256() (in module httk.workflow.protocol) validate_step() (in module httk.workflow.protocol) validate_structure_record() (in module httk.atomistic) validate_vasp_workdir() (in module httk.workflow.vasp) validated (httk.store.store_common.SaveProjection attribute) validated_headers() (in module httk.serve.http) (in module httk.serve.http.fields) ValidatedParameters (class in httk.serve.optimade) (class in httk.serve.optimade.model) (class in httk.serve.optimade.model.request) ValidatedRequest (class in httk.serve.optimade) (class in httk.serve.optimade.model) (class in httk.serve.optimade.model.request) validator_for() (in module httk.store.backend.mongo.mapping) value (httk.core.data_records.DataRecord property) (httk.core.DataRecord property) (httk.store.backend.mongo.evaluator.MongoValue attribute) value_above_hull (httk.analyse.generic.lower_hull.LowerConvexHull property) (httk.analyse.generic.LowerConvexHull property) value_by_definition_id() (httk.core.optimade.entries.OptimadeEntryBackend method) (httk.core.optimade.OptimadeEntryBackend method) value_json (httk.core.data_records.DataRecord attribute) (httk.core.DataRecord attribute) value_number (httk.core.data_records.DataRecord property) (httk.core.DataRecord property) ValueCodec (class in httk.store.backend.codecs) values (httk.analyse.generic.lower_hull.LowerConvexHull property) (httk.analyse.generic.LowerConvexHull property) (httk.serve.optimade.backend.protocols.SearchResult attribute) (httk.serve.optimade.backend.SearchResult attribute) (httk.serve.optimade.model.ResultRow attribute) (httk.serve.optimade.model.results.ResultRow attribute) (httk.store.backend.mongo.searcher.IsInNode attribute) (httk.store.backend.sql.ResultRow property) (httk.store.backend.sql.results.ResultRow property) (httk.store.query.protocols.ResultRow property) (httk.store.query.protocols.SearchResult attribute) (httk.store.query.ResultRow property) (httk.store.query.SearchResult attribute) (httk.store.ResultRow property) (httk.store.SearchResult attribute) values_by_source (httk.store.store_common.SaveProjection attribute) variable() (httk.serve.optimade.backend.memory_store.MemorySearcher method) (httk.serve.optimade.backend.protocols.Searcher method) (httk.serve.optimade.backend.Searcher method) (httk.serve.optimade.remote_query.RemoteSearcher method) (httk.serve.optimade.RemoteSearcher method) (httk.store.backend.mongo.searcher.MongoSearcher method) (httk.store.backend.sql.searcher.SqlSearcher method) (httk.store.federated_store.FederatedSearcher method) (httk.store.FederatedSearcher method) (httk.store.query.protocols.Searcher method) (httk.store.query.Searcher method) (httk.store.Searcher method)

variant (httk.workflow.vasp.PotcarChoice attribute) VASP_RESTART_ARTIFACTS (in module httk.workflow.vasp) vasp_xc_tags (in module httk.atomistic.integrations.vasp.io.outcar) VASPOutputs (class in httk.atomistic.integrations.vasp.io) (class in httk.atomistic.integrations.vasp.io.outputs) VaspPreparationOptions (class in httk.workflow.vasp) VaspRemedyDecision (class in httk.workflow.vasp) VaspRunReport (class in httk.workflow.vasp) VASPStructure (class in httk.atomistic) (class in httk.atomistic.integrations) (class in httk.atomistic.integrations.vasp) (class in httk.atomistic.integrations.vasp.structure) VASPTrajectory (class in httk.atomistic) (class in httk.atomistic.integrations) (class in httk.atomistic.integrations.vasp) (class in httk.atomistic.integrations.vasp.trajectory) vector (httk.atomistic.AffineOperation property) (httk.atomistic.SettingTransform property) (httk.atomistic.storage.records.SettingTransformRecord attribute) (httk.atomistic.storage.SettingTransformRecord attribute) (httk.atomistic.symmetry.affine_operation.AffineOperation property) (httk.atomistic.symmetry.AffineOperation property) (httk.atomistic.symmetry.setting_transform.SettingTransform property) (httk.atomistic.symmetry.SettingTransform property) VectorAPI (class in httk.core.vectors) (class in httk.core.vectors.vector_api) VectorBackend (class in httk.core.vectors) (class in httk.core.vectors.vector_backend) VectorFracView (class in httk.core.vectors) (class in httk.core.vectors.vector_frac_view) VectorLike (in module httk.core) (in module httk.core.vectors) (in module httk.core.vectors.vector_like) VectorNativeBackend (class in httk.core.vectors) (class in httk.core.vectors.vector_native_backend) VectorNativeView (class in httk.core.vectors) (class in httk.core.vectors.vector_native_view) VectorNumpyBackend (class in httk.core.vectors.vector_numpy_backend) VectorNumpyView (class in httk.core.vectors.vector_numpy_view) VectorSurdView (class in httk.core.vectors) (class in httk.core.vectors.vector_surd_view) VectorView (class in httk.core.vectors) (class in httk.core.vectors.vector_view) verdict (httk.core.project.manifests.ManifestVerification attribute) (httk.core.project.ManifestVerification attribute) (httk.core.project.sealing.SealVerification attribute) (httk.core.project.SealVerification attribute) (httk.workflow.manifests.ManifestVerification attribute) VERDICT_EXIT_CODES (in module httk.core.project.manifests) verdict_for_key() (in module httk.core.project.manifests) verify() (httk.core.project.members.ProjectMemberHandler method) (httk.core.project.ProjectMemberHandler method) (httk.serve.web.widgets.table.TableTokenSigner method) verify_agreement() (httk.serve.dsp.DspProvider method) (httk.serve.dsp.provider.DspProvider method) verify_bulk_integrity() (in module httk.store.backend.clickhouse.support) verify_clickhouse_connection() (in module httk.store.backend.clickhouse.support) verify_document() (in module httk.core.identity) verify_ecosystem_manifest() (in module httk.core.docs) (in module httk.core.docs.ecosystem) verify_export() (in module httk.core.project) (in module httk.core.project.export) verify_lease() (in module httk.store.backend.clickhouse.support) verify_legacy_manifest() (in module httk.workflow.manifests) verify_manifest() (in module httk.core.project) (in module httk.core.project.manifests) (in module httk.workflow.manifests) verify_project() (in module httk.core.project) (in module httk.core.project.sealing) verify_record() (in module httk.workflow.protocol) verify_seal() (in module httk.core.project) (in module httk.core.project.sealing) verify_signed_body() (in module httk.core.project.sealing) Version (class in httk.core.docs) (class in httk.core.docs.semver) version (httk.core.docs.release.ReleaseCheck attribute) (httk.core.docs.ReleaseCheck attribute) (httk.core.entry_types.File attribute) (httk.core.File attribute) (httk.core.FileRecord attribute) (httk.core.files.FileRecord attribute) (httk.serve.optimade.model.RawRequest attribute) (httk.serve.optimade.model.request.RawRequest attribute) (httk.serve.optimade.model.request.ValidatedRequest attribute) (httk.serve.optimade.model.ValidatedRequest attribute) (httk.serve.optimade.RawRequest attribute) (httk.serve.optimade.ValidatedRequest attribute) (httk.workflow.languages.cwl.FileRecord attribute) (httk.workflow.languages.pwd.PwdDocument property) VERSION (in module httk.atomistic.io.optimade_jsonl) version_depth() (in module httk.core.docs.sphinx_ext) version_document() (httk.serve.dsp.DspProvider method) (httk.serve.dsp.provider.DspProvider method) (in module httk.serve.dsp.serializers) version_numbers (httk.atomistic.integrations.vasp.io.outcar.OutcarFile property) (httk.atomistic.integrations.vasp.io.OutcarFile property) version_string (httk.atomistic.integrations.vasp.io.outcar.OutcarFile property) (httk.atomistic.integrations.vasp.io.OutcarFile property) VersionError, [1] VersioningConfig (class in httk.core.docs) (class in httk.core.docs.config) versions (httk.core.docs.ComposeResult attribute) (httk.core.docs.sitetree.ComposeResult attribute) View (class in httk.core) (class in httk.core.views) (class in httk.core.views.view) view (httk.core.register.entries.OptimadeEntryBinding attribute) (httk.core.register.OptimadeEntryBinding attribute) view_class_coercer() (in module httk.core.views) (in module httk.core.views.coercion) violations (httk.store.backend.mongo.fsck.FsckSummary attribute) (httk.store.backend.sql.fsck.FsckSummary attribute) visibility_deadline (httk.workflow.Workspace property) visibility_deadline_seconds (httk.workflow.protocol.WorkspacePolicy attribute) volume (httk.atomistic.Cell property) (httk.atomistic.models.cell.api.CellAPI property) (httk.atomistic.models.cell.Cell property) (httk.atomistic.models.cell.cell.Cell property) (httk.atomistic.models.cell.CellAPI property) (httk.atomistic.models.cell.numeric.NumericCell property) (httk.atomistic.models.cell.NumericCell property) (httk.core.entry_types.Reference attribute) (httk.core.Reference attribute)

W

waiting (httk.workflow.WorkCensus attribute) walk_markers() (httk.workflow.Workspace method) warnings (httk.serve.optimade.model.request.ValidatedRequest attribute) (httk.serve.optimade.model.ValidatedRequest attribute) (httk.serve.optimade.ValidatedRequest attribute) (httk.serve.web.model.page.PageResult attribute) (httk.serve.web.model.page.PublishReport attribute) (httk.serve.web.model.PageResult attribute) (httk.serve.web.model.PublishReport attribute) (httk.workflow.languages.cwl.CwlNotes attribute) (httk.workflow.languages.cwl.LanguageScaffold attribute) (httk.workflow.languages.httk_v1.LanguageScaffold attribute) (httk.workflow.languages.jobflow.LanguageScaffold attribute) (httk.workflow.languages.LanguageScaffold attribute) (httk.workflow.languages.pwd.LanguageScaffold attribute) (httk.workflow.scaffold.ScaffoldedJob attribute) (httk.workflow.ScaffoldedJob attribute) WavecarFile (class in httk.atomistic.integrations.vasp.io.wavecar) wavefunction_overlap() (in module httk.atomistic) (in module httk.atomistic.wavefunction) WeakLink (class in httk.core) (class in httk.core.storage) (class in httk.core.storage.markers) WebError, [1] WebhookSender (in module httk.serve.http) (in module httk.serve.http.webhook) WebhookTransportError, [1] when_known() (httk.core.storage.QueryContext method) (httk.core.storage.stored_properties.QueryContext method) where_clause (httk.store.backend.sql.searcher.SqlExpression attribute) Widget (class in httk.serve.web.widgets) (class in httk.serve.web.widgets.core) widget_assets (httk.serve.web.engine.site_engine.SiteEngine attribute) (httk.serve.web.engine.SiteEngine attribute) widget_id (httk.serve.web.ProviderContext attribute) (httk.serve.web.providers.ProviderContext attribute) (httk.serve.web.widgets.core.WidgetContext attribute) (httk.serve.web.widgets.WidgetContext attribute) widget_loader (httk.serve.web.engine.site_engine.SiteEngine attribute) (httk.serve.web.engine.SiteEngine attribute) WidgetAsset (class in httk.serve.web.widgets) (class in httk.serve.web.widgets.core) WidgetAssetConflictError WidgetAssetRegistry (class in httk.serve.web.widgets.assets) WidgetContext (class in httk.serve.web.widgets) (class in httk.serve.web.widgets.core) WidgetDiscoveryError, [1] WidgetError, [1] WidgetParseError, [1] WidgetPlacement (class in httk.serve.web.renderers.base) WidgetRegistry (class in httk.serve.web.widgets) (class in httk.serve.web.widgets.core) WidgetRenderer (in module httk.serve.web.widgets.core) WidgetRenderingError, [1] WidgetRenderResult (class in httk.serve.web.widgets) (class in httk.serve.web.widgets.core) widgets (httk.serve.web.renderers.base.RenderResult attribute) (httk.serve.web.renderers.RenderResult attribute) widgets_dir (httk.serve.web.model.config.SiteConfig property) (httk.serve.web.model.SiteConfig property) (httk.serve.web.widgets.loader.SiteWidgetLoader attribute) (httk.serve.web.widgets.SiteWidgetLoader attribute) widgets_subdir (httk.serve.web.model.config.SiteConfig attribute) (httk.serve.web.model.SiteConfig attribute) WidgetValidationError, [1] width (httk.atomistic.composition.CompositionDiagnostic attribute) (httk.atomistic.models.formula.CompositionDiagnostic attribute) (httk.atomistic.models.formula.diagnostics.CompositionDiagnostic attribute) wire_relationship_key() (in module httk.store.entry_providers) wire_type (httk.store.backend.sql.provenance_edges.StrongLinkFamily attribute) wire_type_for_internal() (in module httk.store.backend.sql.provenance_edges) wire_types (httk.store.backend.sql.stored_properties.RelationshipSourceMap attribute) with_implementation() (httk.core.property_definitions.PropertyDefinition method) (httk.core.PropertyDefinition method) without_charges() (httk.atomistic.models.species.Species method) (httk.atomistic.models.species.species.Species method) (httk.atomistic.models.structure.api.StructureAPI method) (httk.atomistic.models.structure.StructureAPI method) (httk.atomistic.Species method) WorkCensus (class in httk.workflow) workdir (httk.workflow.Attempt attribute) (httk.workflow.ChildResult attribute) (httk.workflow.collecting.JobRecord property) (httk.workflow.executors.AttemptLaunch attribute) (httk.workflow.JobRecord property) (httk.workflow.protocol.ReplayableWorkdirBatch attribute) (httk.workflow.protocol.StateFrame property) (httk.workflow.sdk.Attempt attribute) (httk.workflow.sdk.ChildResult attribute) workdir_batch() (httk.workflow.Attempt method) (httk.workflow.sdk.Attempt method) workdir_mode (httk.workflow.ChildSpec attribute) (httk.workflow.protocol.AttemptContext attribute) (httk.workflow.protocol.JobDefinition attribute) (httk.workflow.protocol.JobSpec attribute) (httk.workflow.runtime.AttemptContext attribute) (httk.workflow.scaffold.ResolvedWorkflow attribute) (httk.workflow.scaffold.WorkflowProvider attribute) (httk.workflow.sdk.ChildSpec attribute) workdir_path (httk.workflow.ChildSpec attribute) (httk.workflow.collecting.JobRecord attribute) (httk.workflow.JobRecord attribute) (httk.workflow.languages.cwl.LanguageScaffold attribute) (httk.workflow.languages.httk_v1.LanguageScaffold attribute) (httk.workflow.languages.jobflow.LanguageScaffold attribute) (httk.workflow.languages.LanguageScaffold attribute) (httk.workflow.languages.pwd.LanguageScaffold attribute) (httk.workflow.protocol.JobDefinition attribute) (httk.workflow.protocol.JobSpec attribute) (httk.workflow.sdk.ChildSpec attribute) workdir_reused (httk.workflow.protocol.AttemptContext attribute) (httk.workflow.runtime.AttemptContext attribute) workflow (httk.workflow.ChildSpec attribute) (httk.workflow.hookapi.InstantiateRequest attribute) (httk.workflow.protocol.JobDefinition attribute) (httk.workflow.protocol.JobSpec attribute) (httk.workflow.Runner attribute) (httk.workflow.scaffold.ScaffoldedJob attribute) (httk.workflow.ScaffoldedJob attribute) (httk.workflow.sdk.ChildSpec attribute) (httk.workflow.sdk.Runner attribute) workflow_declaration_uri (httk.core.ProductLink attribute) (httk.core.provenance.ProductLink attribute) (httk.core.provenance.Run attribute) (httk.core.Run attribute) workflow_id (httk.workflow.CollectedJob attribute) (httk.workflow.collecting.CollectedJob attribute) (httk.workflow.languages.cwl.LanguageRequest attribute) (httk.workflow.languages.httk_v1.LanguageRequest attribute) (httk.workflow.languages.jobflow.LanguageRequest attribute) (httk.workflow.languages.LanguageRequest attribute) (httk.workflow.languages.pwd.LanguageRequest attribute) (httk.workflow.scaffold.ResolvedWorkflow attribute) (httk.workflow.scaffold.WorkflowProvider attribute) workflow_prelude (httk.workflow.executors.AttemptLaunch attribute) workflow_provider() (in module httk.workflow.scaffold) WorkflowError, [1], [2] WorkflowLanguage (class in httk.workflow.languages) (class in httk.workflow.languages.cwl) (class in httk.workflow.languages.httk_v1) (class in httk.workflow.languages.jobflow) (class in httk.workflow.languages.pwd)

WorkflowProvider (class in httk.workflow.scaffold) workflows (httk.core.plugins.installed.PluginManifest attribute) (httk.core.plugins.manifest.PluginManifest attribute) (httk.core.plugins.PluginManifest attribute) Workspace (class in httk.workflow) workspace (httk.workflow.Attempt attribute) (httk.workflow.sdk.Attempt attribute) (httk.workflow.TaskManager attribute) workspace() (httk.workflow.RunnerRef class method) (httk.workflow.sdk.RunnerRef class method) workspace_id (httk.workflow.collecting.JobRecord attribute) (httk.workflow.JobRecord attribute) (httk.workflow.protocol.AttemptContext attribute) (httk.workflow.protocol.ChildReference attribute) (httk.workflow.runtime.AttemptContext attribute) (httk.workflow.Workspace attribute) workspace_maintenance_guard() (in module httk.workflow.manifests) workspace_root (httk.workflow.collecting.JobRecord attribute) (httk.workflow.JobRecord attribute) WorkspaceCorruptionError, [1], [2] WorkspacePolicy (class in httk.workflow.protocol) WorkspaceUnavailableError, [1], [2] wrapped() (httk.atomistic.AffineOperation method) (httk.atomistic.symmetry.affine_operation.AffineOperation method) (httk.atomistic.symmetry.AffineOperation method) writable() (httk.core.BytestreamFileView method) (httk.core.datastream.bytestream_file_view.BytestreamFileView method) (httk.core.datastream.BytestreamFileView method) (httk.core.datastream.textstream_file_view.TextstreamFileView method) (httk.core.datastream.TextstreamFileView method) (httk.core.TextstreamFileView method) write() (httk.workflow.supervision.ProcessReport method) (httk.workflow.vasp.VaspRunReport method) write_automatic_kpoints() (in module httk.workflow.vasp) write_cif() (in module httk.atomistic.io.cif.cif_writer) write_config() (in module httk.workflow.configuration) write_dataset_sqlar() (in module httk.core.dataset_loader) write_ecosystem_manifest() (in module httk.core.docs) (in module httk.core.docs.ecosystem) write_generation() (in module httk.core.building) write_identity_config() (in module httk.core.identity) write_ingest_marker() (in module httk.store.backend.clickhouse.support) write_page_manifest() (in module httk.core.docs) (in module httk.core.docs.manifests) write_profile (httk.store.backend.sql.engine.Backend property) (httk.store.backend.sql.store.SqlStore property) WRITE_PROFILE_VOCABULARY (in module httk.store.backend.sql.layout) write_profiles (httk.store.backend.sql.layout.BackendFacts attribute) write_project_section() (in module httk.core.project) (in module httk.core.project.anchor) (in module httk.workflow.projects) write_root_redirect() (in module httk.core.docs) (in module httk.core.docs.redirect) write_seal() (in module httk.core.project) (in module httk.core.project.sealing) write_trajectory_jsonl() (in module httk.atomistic.io.optimade_jsonl) write_vasp_volumetric() (in module httk.atomistic.integrations.vasp.io) (in module httk.atomistic.integrations.vasp.io.volumetric) write_version_manifest() (in module httk.core.docs) (in module httk.core.docs.manifests) write_wavecar() (in module httk.atomistic.integrations.vasp.io) (in module httk.atomistic.integrations.vasp.io.wavecar) writer (httk.workflow.TaskManager attribute) writer_filenames (in module httk.core.register) (in module httk.core.register.io) writer_formats (in module httk.core.register) (in module httk.core.register.io) writer_id (httk.workflow.protocol.JournalFrame attribute) WriterLease (class in httk.store.backend.mongo.leases) writers (in module httk.core.register) (in module httk.core.register.io) written_files (httk.serve.web.model.page.PublishReport attribute) (httk.serve.web.model.PublishReport attribute) wyckoff (httk.atomistic.models.protostructure.occupation.WyckoffOccupation attribute) (httk.atomistic.models.protostructure.WyckoffOccupation attribute) (httk.atomistic.models.prototype.occupation.PrototypeOccupation attribute) (httk.atomistic.models.prototype.PrototypeOccupation attribute) (httk.atomistic.models.structure.asu.WyckoffSite attribute) (httk.atomistic.models.structure.WyckoffSite attribute) (httk.atomistic.PrototypeOccupation attribute) (httk.atomistic.Spacegroup property) (httk.atomistic.storage.records.WyckoffOccupationRecord attribute) (httk.atomistic.storage.records.WyckoffSiteRecord attribute) (httk.atomistic.storage.WyckoffOccupationRecord attribute) (httk.atomistic.storage.WyckoffSiteRecord attribute) (httk.atomistic.symmetry.Spacegroup property) (httk.atomistic.symmetry.spacegroup.Spacegroup property) (httk.atomistic.WyckoffOccupation attribute) (httk.atomistic.WyckoffOccupationRecord attribute) (httk.atomistic.WyckoffSite attribute) wyckoff_letter_map() (in module httk.atomistic) (in module httk.atomistic.symmetry) (in module httk.atomistic.symmetry.spacegroup) wyckoff_position() (httk.atomistic.Spacegroup method) (httk.atomistic.symmetry.Spacegroup method) (httk.atomistic.symmetry.spacegroup.Spacegroup method) wyckoff_positions (httk.atomistic.FundamentalDomainStructure property) (httk.atomistic.models.structure.asu.FundamentalDomainStructure property) (httk.atomistic.models.structure.FundamentalDomainStructure property) (httk.atomistic.models.structure.optimade.OptimadeStructure property) (httk.atomistic.models.structure.OptimadeStructure property) (httk.atomistic.models.structure.semantics.StructureSemanticsMixin property) (httk.atomistic.models.structure.semantics.StructureSymmetry attribute) (httk.atomistic.models.structure.StructureSemanticsMixin property) (httk.atomistic.models.structure.StructureSymmetry attribute) (httk.atomistic.models.structure.unitcell_view.UnitcellStructureView property) (httk.atomistic.models.structure.UnitcellStructureView property) (httk.atomistic.OptimadeStructure property) (httk.atomistic.storage.records.SymmetryRecord attribute) (httk.atomistic.storage.SymmetryRecord attribute) (httk.atomistic.StructureSymmetry attribute) (httk.atomistic.UnitcellStructureView property) wyckoff_positions() (in module httk.atomistic) (in module httk.atomistic.symmetry) (in module httk.atomistic.symmetry.wyckoff) wyckoff_sites (httk.atomistic.FundamentalDomainStructure property) (httk.atomistic.FundamentalDomainTemplate property) (httk.atomistic.FundamentalDomainTemplateRecord attribute) (httk.atomistic.models.structure.asu.FundamentalDomainStructure property) (httk.atomistic.models.structure.FundamentalDomainStructure property) (httk.atomistic.models.structuretype.fundamental.FundamentalDomainTemplate property) (httk.atomistic.models.structuretype.FundamentalDomainTemplate property) (httk.atomistic.storage.FundamentalDomainTemplateRecord attribute) (httk.atomistic.storage.records.FundamentalDomainTemplateRecord attribute) WyckoffBranch (class in httk.atomistic.symmetry) (class in httk.atomistic.symmetry.wyckoff) WyckoffComposition (class in httk.atomistic.models.formula.wyckoff) WyckoffOccupation (class in httk.atomistic) (class in httk.atomistic.models.protostructure) (class in httk.atomistic.models.protostructure.occupation) WyckoffOccupationRecord (class in httk.atomistic) (class in httk.atomistic.storage) (class in httk.atomistic.storage.records) WyckoffPosition (class in httk.atomistic) (class in httk.atomistic.symmetry) (class in httk.atomistic.symmetry.wyckoff) WyckoffSite (class in httk.atomistic) (class in httk.atomistic.models.structure) (class in httk.atomistic.models.structure.asu) WyckoffSiteRecord (class in httk.atomistic.storage) (class in httk.atomistic.storage.records) WyckoffSplitPiece (class in httk.atomistic.symmetry.subgroups)

X

xc (httk.atomistic.integrations.vasp.io.outcar.OutcarFile property) (httk.atomistic.integrations.vasp.io.OutcarFile property) xdatcar (httk.atomistic.integrations.vasp.io.outputs.VASPOutputs property) (httk.atomistic.integrations.vasp.io.VASPOutputs property)

XdatcarFile (class in httk.atomistic.integrations.vasp.io) (class in httk.atomistic.integrations.vasp.io.xdatcar) xsd_utc_timestamp() (in module httk.serve.http) (in module httk.serve.http.identifiers) xyz (httk.atomistic.symmetry.subgroups.WyckoffSplitPiece attribute)

Y

year (httk.core.entry_types.Reference attribute) (httk.core.Reference attribute)

Z

zero() (httk.core.SurdVector class method) (httk.core.vectors.SurdVector class method) (httk.core.vectors.surdvector.SurdVector class method)

zeros() (httk.core.vectors.fracvector.FracVectorBase class method)