Index

A

a (httk.atomistic.cell_params_view.CellParamsView property) (httk.atomistic.CellParamsView property) ABSENT (in module httk.workflow.shell_bridge) accept_any_pool (httk.workflow.TaskManager attribute) accuracy_per_atom (httk.workflow.vasp.VaspPreparationOptions attribute) acknowledge_transfer() (httk.workflow.compat.cwl.Workspace method) (httk.workflow.compat.pwd.Workspace method) (httk.workflow.Workspace method) (in module httk.workflow.transfers) acos() (httk.core.FracVector method) (httk.core.vectors.FracVector method) (httk.core.vectors.fracvector.FracVector 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) action (httk.workflow.hygiene.Finding 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) ADAPTER_EXECUTABLE (in module httk.workflow.adapters) ADAPTER_FORMAT (in module httk.workflow.adapters) adapter_from_providers() (in module httk.optimade) (in module httk.optimade.backend) (in module httk.optimade.backend.providers) ADAPTER_OPERATIONS (in module httk.workflow.adapters) add() (httk.data.db.searcher.SqlSearcher method) (httk.data.query.Searcher method) (httk.data.Searcher method) (httk.optimade.backend.memory_store.MemorySearcher method) (httk.optimade.backend.protocols.Searcher method) (httk.optimade.backend.Searcher method) add_child() (httk.workflow.protocol.OutcomeDraft method) add_child_job() (httk.workflow.protocol.OutcomeDraft method) add_offset() (httk.data.db.searcher.SqlSearcher method) (httk.data.query.Searcher method) (httk.data.Searcher method) (httk.optimade.backend.memory_store.MemorySearcher method) (httk.optimade.backend.protocols.Searcher method) (httk.optimade.backend.Searcher method) add_remote() (in module httk.workflow.adapters) add_sort() (httk.data.db.searcher.SqlSearcher method) (httk.data.query.Searcher method) (httk.data.Searcher method) (httk.optimade.backend.memory_store.MemorySearcher method) (httk.optimade.backend.protocols.Searcher method) (httk.optimade.backend.Searcher method) address (httk.core.entry_types.Reference attribute) (httk.core.Reference attribute) adopt_legacy_data_home() (in module httk.workflow.configuration) advance() (httk.workflow.Attempt method) (httk.workflow.sdk.Attempt method) AffineOperation (class in httk.atomistic) (class in httk.atomistic.affine_operation) age_seconds (httk.workflow.manifests.MaintenanceLock property) alg_symops_to_matrix() (in module httk.io.cif.mcif_parser) all (httk.workflow.ChildrenView attribute) (httk.workflow.sdk.ChildrenView attribute) all_entries (httk.optimade.schema.served.ServedSchema attribute) allowed_backends (httk.workflow.TaskManager attribute) alpha (httk.atomistic.cell_params_view.CellParamsView property) (httk.atomistic.CellParamsView property) always_false() (httk.data.db.searcher.SqlVariable method) (httk.data.query.SearchVariable method) (httk.data.SearchVariable method) (httk.optimade.backend.memory_store.MemoryVariable method) (httk.optimade.backend.protocols.SearchVariable method) (httk.optimade.backend.SearchVariable method) always_true() (httk.data.db.searcher.SqlVariable method) (httk.data.query.SearchVariable method) (httk.data.SearchVariable method) (httk.optimade.backend.memory_store.MemoryVariable method) (httk.optimade.backend.protocols.SearchVariable method) (httk.optimade.backend.SearchVariable method) angles (httk.atomistic.Cell property) (httk.atomistic.cell.Cell property) (httk.atomistic.numeric_cell.NumericCell property) (httk.atomistic.NumericCell property) annote (httk.core.entry_types.Reference attribute) (httk.core.Reference attribute) any_to_fraction() (in module httk.core.exactmath) append() (httk.workflow.protocol.RunLog method) apply() (httk.atomistic.affine_operation.AffineOperation method) (httk.atomistic.AffineOperation method) apply_leaf_codec() (in module httk.core.vectors.leaf_codecs) apply_vasp_remedy() (in module httk.workflow.vasp) apply_wrapped() (httk.atomistic.affine_operation.AffineOperation method) (httk.atomistic.AffineOperation method) argmax() (httk.core.FracVector method) (httk.core.vectors.FracVector method) (httk.core.vectors.fracvector.FracVector method) argmin() (httk.core.FracVector method) (httk.core.vectors.FracVector method) (httk.core.vectors.fracvector.FracVector method) argv (httk.workflow.runtime.CommandResult attribute) (httk.workflow.supervision.CheckerSpec attribute) (httk.workflow.supervision.ProcessReport attribute) as_mapping() (httk.workflow.compat.cwl.ScaffoldedJob method) (httk.workflow.compat.pwd.ScaffoldedJob method) (httk.workflow.harvesting.HarvestRecord method) (httk.workflow.HarvestRecord method) (httk.workflow.hygiene.Finding 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_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.optimade.model.request.ValidatedParameters method) (httk.optimade.model.ValidatedParameters method) (httk.optimade.ValidatedParameters method) ASEAtomsBackend (class in httk.atomistic) (class in httk.atomistic.compat) ASEAtomsProtocol (class in httk.atomistic) (class in httk.atomistic.compat) ASEAtomsView (class in httk.atomistic.ase_atoms_view) asin() (httk.core.FracVector method) (httk.core.vectors.FracVector method) (httk.core.vectors.fracvector.FracVector 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) asu (httk.atomistic.asu_structure.ASUStructure property) (httk.atomistic.ASUStructure property) (httk.atomistic.ConventionalCellResult attribute) (httk.atomistic.standardization.ConventionalCellResult attribute) (httk.atomistic.structure_asu.StructureASU property) (httk.atomistic.StructureASU property) asu_sites (httk.atomistic.asu_structure.ASUStructure property) (httk.atomistic.ASUStructure property) 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) asus_from_cif_file() (in module httk.io.cif) (in module httk.io.cif.cif_parser) ASUSite (class in httk.atomistic) (class in httk.atomistic.asu_structure) ASUStructure (class in httk.atomistic) (class in httk.atomistic.asu_structure) ASUStructureView (class in httk.atomistic) (class in httk.atomistic.asu_structure_view) 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) atomic_number() (in module httk.atomistic) (in module httk.atomistic.elements) attached (httk.atomistic.Species attribute) (httk.atomistic.species.Species attribute) (httk.atomistic.species_api.SpeciesAPI property) (httk.atomistic.species_class.SpeciesClass property) (httk.atomistic.species_primitive.SpeciesPrimitive property) (httk.atomistic.SpeciesAPI property) (httk.atomistic.SpeciesClass property) (httk.atomistic.SpeciesPrimitive property) (httk.atomistic.SpeciesRecord attribute) (httk.atomistic.structure_record.SpeciesRecord attribute) attached_present (httk.atomistic.SpeciesRecord attribute) (httk.atomistic.structure_record.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.backends) attempts (httk.workflow.compat.v1.V1RunnerBackend attribute) authors (httk.core.entry_types.Reference attribute) (httk.core.Reference attribute) auto_definition() (in module httk.data.db.entry_provider) automatic_kpoint_grid() (in module httk.workflow.vasp) available_licenses (httk.optimade.model.config.OptimadeConfig attribute) (httk.optimade.model.OptimadeConfig attribute) (httk.optimade.OptimadeConfig attribute) available_licenses_for_entries (httk.optimade.model.config.OptimadeConfig attribute) (httk.optimade.model.OptimadeConfig attribute) (httk.optimade.OptimadeConfig attribute)

B

b (httk.atomistic.cell_params_view.CellParamsView property) (httk.atomistic.CellParamsView property) (httk.core.BytestreamBytes attribute) (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) backend_classes (httk.atomistic.cell_backend.CellBackend attribute) (httk.atomistic.CellBackend attribute) (httk.atomistic.sites_backend.SitesBackend attribute) (httk.atomistic.SitesBackend attribute) (httk.atomistic.species_backend.SpeciesBackend attribute) (httk.atomistic.SpeciesBackend attribute) (httk.atomistic.structure_backend.StructureBackend attribute) (httk.atomistic.StructureBackend attribute) (httk.core.Backend attribute) (httk.core.BytestreamBackend 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.TextstreamBackend attribute) (httk.core.VectorBackend attribute) (httk.core.vectors.vector_backend.VectorBackend attribute) (httk.core.vectors.VectorBackend attribute) (httk.core.views.Backend attribute) (httk.core.views.backend.Backend attribute) BackendAdapter (class in httk.optimade) (class in httk.optimade.backend) (class in httk.optimade.backend.adapter) base_template_name (httk.web.templating.base.TemplateRenderInput attribute) (httk.web.templating.TemplateRenderInput attribute) baseurl (httk.optimade.model.RawRequest attribute) (httk.optimade.model.request.RawRequest attribute) (httk.optimade.model.request.ValidatedRequest attribute) (httk.optimade.model.ValidatedRequest attribute) (httk.optimade.RawRequest attribute) (httk.optimade.ValidatedRequest attribute) (httk.web.model.config.SiteConfig attribute) (httk.web.model.SiteConfig attribute) basis (httk.atomistic.Cell property) (httk.atomistic.cell.Cell property) (httk.atomistic.cell_api.CellAPI property) (httk.atomistic.cell_class.CellClass property) (httk.atomistic.cell_params.CellParams property) (httk.atomistic.cell_primitive.CellPrimitive property) (httk.atomistic.CellAPI property) (httk.atomistic.CellClass property) (httk.atomistic.CellParams property) (httk.atomistic.CellPrimitive property) (httk.atomistic.numeric_cell.NumericCell property) (httk.atomistic.NumericCell property) (httk.atomistic.structure_record.StructureRecord attribute) (httk.atomistic.StructureRecord attribute) basis_precision (httk.atomistic.Structure property) (httk.atomistic.structure.Structure property) (httk.atomistic.structure_record.StructureRecord attribute) (httk.atomistic.StructureRecord attribute) basis_to_setting() (httk.atomistic.setting_transform.SettingTransform method) (httk.atomistic.SettingTransform method) basis_to_standard() (httk.atomistic.setting_transform.SettingTransform method) (httk.atomistic.SettingTransform method) BATCH_DIRECTIVES (in module httk.workflow.adapter_protocol) BATCH_DIRECTORY (in module httk.workflow.adapter_protocol) best_rational_in_interval() (in module httk.core.exactmath) beta (httk.atomistic.cell_params_view.CellParamsView property) (httk.atomistic.CellParamsView property)

bib_type (httk.core.entry_types.Reference attribute) (httk.core.Reference attribute) body (httk.web.model.page.PageResult attribute) (httk.web.model.PageResult attribute) booktitle (httk.core.entry_types.Reference attribute) (httk.core.Reference attribute) branch (httk.core.docs.CommitSiteResult attribute) (httk.core.docs.gitsite.CommitSiteResult attribute) branches (httk.atomistic.wyckoff.WyckoffPosition property) (httk.atomistic.WyckoffPosition property) 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.core.docs.cli) (in module httk.core.project.cli) build_served_schema() (in module httk.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) bundle (httk.workflow.adapters.RemoteTarget attribute) bundled_v1_root() (in module httk.workflow.compat.v1) BytestreamAPI (class in httk.core.datastream.bytestream_api) BytestreamBackend (class in httk.core) (class in httk.core.datastream) (class in httk.core.datastream.bytestream_backend) BytestreamBytes (class in httk.core) (class in httk.core.datastream) (class in httk.core.datastream.bytestream_bytes) BytestreamBytesView (class in httk.core) (class in httk.core.datastream) (class in httk.core.datastream.bytestream_bytes_view) BytestreamCommon (class in httk.core) (class in httk.core.datastream) (class in httk.core.datastream.bytestream_common) BytestreamFile (class in httk.core) (class in httk.core.datastream) (class in httk.core.datastream.bytestream_file) BytestreamFilename (class in httk.core) (class in httk.core.datastream) (class in httk.core.datastream.bytestream_filename) BytestreamFilenameView (class in httk.core) (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) (class in httk.core.datastream) (class in httk.core.datastream.bytestream_request) BytestreamRequestView (class in httk.core) (class in httk.core.datastream) (class in httk.core.datastream.bytestream_request_view) BytestreamURL (class in httk.core) (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) (class in httk.core.datastream) (class in httk.core.datastream.bytestream_view)

C

c (httk.atomistic.cell_params_view.CellParamsView property) (httk.atomistic.CellParamsView property) calculate_nbands() (in module httk.workflow.vasp) Calculation (class in httk.core) (class in httk.core.entry_types) CalculationEntryProvider (class in httk.data) (class in httk.data.entry_providers) CallableRef (in module httk.core.project.cli) cancel_grace_seconds (httk.workflow.TaskManager attribute) cancellation (httk.workflow.protocol.StateFrame property) canonical_form() (in module httk.data.db) (in module httk.data.db.identity) 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) capabilities (httk.workflow.compat.cwl.CwlNotes attribute) (httk.workflow.TaskManager attribute) carried() (httk.workflow.protocol.StateFrame method) CARRIED_STATE_MEMBERS (in module httk.workflow.protocol) cartesian_precision() (httk.atomistic.Structure method) (httk.atomistic.structure.Structure method) cartesian_sites() (httk.atomistic.numeric_unitcell_structure_view.NumericUnitcellStructureView method) (httk.atomistic.NumericUnitcellStructureView method) (httk.atomistic.Structure method) (httk.atomistic.structure.Structure method) category (httk.data.FilterTranslationError attribute) (httk.data.optimade_query.FilterTranslationError attribute) ceil() (httk.core.FracVector method) (httk.core.vectors.FracVector method) (httk.core.vectors.fracvector.FracVector method) (in module httk.core.vectors.vectormath) Cell (class in httk.atomistic) (class in httk.atomistic.cell) cell (httk.atomistic.ASEAtomsBackend property) (httk.atomistic.asu_structure.ASUStructure property) (httk.atomistic.ASUStructure property) (httk.atomistic.compat.ASEAtomsBackend property) (httk.atomistic.numeric_unitcell_structure_backend.NumericUnitcellStructureBackend property) (httk.atomistic.numeric_unitcell_structure_view.NumericUnitcellStructureView property) (httk.atomistic.NumericUnitcellStructureBackend property) (httk.atomistic.NumericUnitcellStructureView property) (httk.atomistic.Structure property) (httk.atomistic.structure.Structure property) (httk.atomistic.structure_api.StructureAPI property) (httk.atomistic.structure_asu.StructureASU property) (httk.atomistic.structure_primitive.StructurePrimitive property) (httk.atomistic.structure_record_backend.StructureRecordBackend property) (httk.atomistic.StructureAPI property) (httk.atomistic.StructureASU property) (httk.atomistic.StructurePrimitive property) (httk.atomistic.StructureRecordBackend property) (httk.atomistic.unitcell_structure_backend.UnitcellStructureBackend property) (httk.atomistic.UnitcellStructureBackend property) CellAPI (class in httk.atomistic) (class in httk.atomistic.cell_api) CellBackend (class in httk.atomistic) (class in httk.atomistic.cell_backend) CellClass (class in httk.atomistic) (class in httk.atomistic.cell_class) CellClassView (class in httk.atomistic) (class in httk.atomistic.cell_class_view) CellLike (in module httk.atomistic) (in module httk.atomistic.cell_like) CellNumericView (class in httk.atomistic) (class in httk.atomistic.cell_numeric_view) CellParams (class in httk.atomistic) (class in httk.atomistic.cell_params) CellParamsView (class in httk.atomistic) (class in httk.atomistic.cell_params_view) CellPrimitive (class in httk.atomistic) (class in httk.atomistic.cell_primitive) CellPrimitiveView (class in httk.atomistic) (class in httk.atomistic.cell_primitive_view) CellView (class in httk.atomistic) (class in httk.atomistic.cell_view) centering (httk.workflow.vasp.VaspPreparationOptions attribute) centering_translations (httk.atomistic.Spacegroup property) (httk.atomistic.spacegroup.Spacegroup property) centring_type (httk.atomistic.Spacegroup property) (httk.atomistic.spacegroup.Spacegroup property) chain_vecs() (httk.core.FracVector class method) (httk.core.vectors.FracVector class method) (httk.core.vectors.fracvector.FracVector 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) check (httk.workflow.hygiene.Finding attribute) check() (httk.workflow.compat.cwl.Workspace method) (httk.workflow.compat.pwd.Workspace method) (httk.workflow.Workspace method) check_lock() (in module httk.core.docs) (in module httk.core.docs.lockfile) check_options (httk.core.LeafCodec attribute) (httk.core.vectors.leaf_codecs.LeafCodec attribute) (httk.core.vectors.LeafCodec attribute) 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) chemical_symbols (httk.atomistic.Species attribute) (httk.atomistic.species.Species attribute) (httk.atomistic.species_api.SpeciesAPI property) (httk.atomistic.species_class.SpeciesClass property) (httk.atomistic.species_primitive.SpeciesPrimitive property) (httk.atomistic.SpeciesAPI property) (httk.atomistic.SpeciesClass property) (httk.atomistic.SpeciesPrimitive property) (httk.atomistic.SpeciesRecord attribute) (httk.atomistic.structure_record.SpeciesRecord attribute) child (httk.data.db.FieldSpec attribute) (httk.data.db.schema.FieldSpec attribute) child_digests (httk.workflow.protocol.StateFrame property) ChildReference (class in httk.workflow.protocol) children (httk.workflow.Attempt property) (httk.workflow.harvesting.HarvestRecord attribute) (httk.workflow.HarvestRecord attribute) (httk.workflow.protocol.OutcomeDraft property) (httk.workflow.sdk.Attempt property) children_of() (in module httk.workflow.harvesting) 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.data.db) (class in httk.data.db.schema) choices (httk.workflow.vasp.PotcarAssembly attribute) cif_exact_token() (in module httk.io.cif.cif_parser) cif_setting() (in module httk.atomistic) (in module httk.atomistic.cif_structures) cifblock_to_asu() (in module httk.io.cif.cif_parser) cifblock_to_mag_asu() (in module httk.io.cif.mcif_parser) CifMeta (class in httk.io.cif.cif_parser) claim_pool (httk.workflow.ChildSpec attribute) (httk.workflow.protocol.JobDefinition attribute) (httk.workflow.protocol.JobSpec attribute) (httk.workflow.sdk.ChildSpec attribute) classification (httk.workflow.vasp.VaspRunReport attribute) clean_outcar() (in module httk.workflow.vasp) clean_vasp_outputs() (in module httk.workflow.vasp) cli_command() (in module httk.core.register) CLICommand (class in httk.core.register) CLIContext (class in httk.core) (class in httk.core.cli_context) CLIHandler (in module httk.core.register) close() (httk.core.BytestreamCommon 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.TextstreamCommon method) (httk.core.TextstreamFileView method) (httk.workflow.TaskManager method) closed (httk.core.BytestreamBytes property) (httk.core.BytestreamFile property) (httk.core.BytestreamFilename property) (httk.core.BytestreamFileView property) (httk.core.BytestreamRequest property) (httk.core.BytestreamURL 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.TextstreamFile property) (httk.core.TextstreamFilename property) (httk.core.TextstreamFileView property) (httk.core.TextstreamRequest property) (httk.core.TextstreamString property) (httk.core.TextstreamURL property) cls (httk.data.db.schema.TableSchema attribute) (httk.data.db.TableSchema attribute) code (httk.workflow.errors.RunnerResolutionError attribute) (httk.workflow.protocol.Failure attribute) (httk.workflow.protocol.RunnerResolutionError attribute) (httk.workflow.RunnerResolutionError attribute) (httk.workflow.supervision.Diagnostic attribute) codec_for() (in module httk.data.db) (in module httk.data.db.codecs) codec_for_name() (in module httk.core.datastream.compression) codec_name (httk.data.db.FieldSpec attribute) (httk.data.db.schema.FieldSpec attribute) codec_named() (in module httk.data.db) (in module httk.data.db.codecs) coefficient() (httk.core.SurdVector method) (httk.core.vectors.SurdVector method) (httk.core.vectors.surdvector.SurdVector method) coerce() (in module httk.core) (in module httk.core.views) (in module httk.core.views.coercion) Coercer (in module httk.core) (in module httk.core.views) (in module httk.core.views.coercion) collect_garbage() (httk.workflow.compat.cwl.Workspace method) (httk.workflow.compat.pwd.Workspace method) (httk.workflow.Workspace method)

cols (httk.core.Shape attribute) (httk.core.storage_markers.Shape attribute) columns (httk.data.db.codecs.ValueCodec attribute) (httk.data.db.FieldSpec attribute) (httk.data.db.schema.FieldSpec attribute) (httk.data.db.ValueCodec attribute) ColumnSpec (class in httk.data.db) (class in httk.data.db.schema) combined_precision() (in module httk.core) (in module httk.core.precision) command() (httk.workflow.backends.PathRunnerBackend method) (httk.workflow.backends.RunnerBackend method) (httk.workflow.compat.v1.V1RunnerBackend method) (in module httk.core.docs.cli) (in module httk.core.project.cli) CommandResult (class in httk.workflow.runtime) comment (httk.workflow.vasp.PoscarHeader attribute) commit (httk.core.docs.CommitSiteResult attribute) (httk.core.docs.gitsite.CommitSiteResult attribute) commit() (httk.workflow.protocol.ReplayableWorkdirBatch method) commit_outcome() (httk.workflow.backends.PathRunnerBackend method) (httk.workflow.backends.RunnerBackend method) (httk.workflow.compat.v1.V1RunnerBackend method) commit_site() (in module httk.core.docs) (in module httk.core.docs.gitsite) CommitSiteResult (class in httk.core.docs) (class in httk.core.docs.gitsite) compatibility_mode (httk.web.model.config.SiteConfig attribute) (httk.web.model.SiteConfig attribute) compose_ops_with_centerings() (in module httk.io.cif.symops_utils) 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.data.db.schema.TableSchema attribute) (httk.data.db.TableSchema attribute) compositions (httk.atomistic.phase_diagram.PhaseDiagram property) (httk.atomistic.PhaseDiagram property) compress_files() (in module httk.workflow.runtime_utils) CompressionCodec (class in httk.core) (class in httk.core.datastream) (class in httk.core.datastream.compression) compute_input_hash() (in module httk.core.docs) (in module httk.core.docs.lockfile) concentration (httk.atomistic.Species attribute) (httk.atomistic.species.Species attribute) (httk.atomistic.species_api.SpeciesAPI property) (httk.atomistic.species_class.SpeciesClass property) (httk.atomistic.species_primitive.SpeciesPrimitive property) (httk.atomistic.SpeciesAPI property) (httk.atomistic.SpeciesClass property) (httk.atomistic.SpeciesPrimitive property) (httk.atomistic.SpeciesRecord attribute) (httk.atomistic.structure_record.SpeciesRecord attribute) config (httk.web.engine.site_engine.SiteEngine attribute) (httk.web.engine.SiteEngine attribute) CONFIG_FORMAT (in module httk.workflow.configuration) CONFIG_FORMAT_VERSION (in module httk.workflow.configuration) config_home() (in module httk.workflow.configuration) CONFIG_KEYS (in module httk.workflow.configuration) config_name (httk.web.model.config.SiteConfig attribute) (httk.web.model.SiteConfig attribute) config_path() (in module httk.workflow.configuration) ConfigError, [1] ConfigKey (class in httk.workflow.configuration) conjugated_by() (httk.atomistic.affine_operation.AffineOperation method) (httk.atomistic.AffineOperation method) constant_comparison_handler() (in module httk.data.optimade_query) (in module httk.optimade.backend.handlers) constant_set_handler() (in module httk.data.optimade_query) (in module httk.optimade.backend.handlers) constant_stringmatching_handler() (in module httk.data.optimade_query) (in module httk.optimade.backend.handlers) constant_types (in module httk.data.optimade_query) contains() (httk.data.db.searcher.SqlColumn method) (httk.data.query.SearchField method) (httk.data.SearchField method) (httk.optimade.backend.memory_store.MemoryField method) (httk.optimade.backend.protocols.SearchField method) (httk.optimade.backend.SearchField method) contcar_to_poscar() (in module httk.workflow.vasp) content (httk.optimade.EndpointResponse attribute) (httk.optimade.model.EndpointResponse attribute) (httk.optimade.model.errors.OptimadeError attribute) (httk.optimade.model.OptimadeError attribute) (httk.optimade.model.request.EndpointResponse attribute) (httk.optimade.OptimadeError attribute) content_dir (httk.web.model.config.SiteConfig property) (httk.web.model.SiteConfig property) CONTENT_EXTENSIONS (in module httk.web.publishing.static) content_html (httk.web.templating.base.TemplateRenderInput attribute) (httk.web.templating.TemplateRenderInput attribute) content_id() (in module httk.data.db) (in module httk.data.db.identity) CONTENT_ID_COLUMN (in module httk.data.db.mapping) content_subdir (httk.web.model.config.SiteConfig attribute) (httk.web.model.SiteConfig attribute) content_type (httk.optimade.EndpointResponse attribute) (httk.optimade.model.EndpointResponse attribute) (httk.optimade.model.request.EndpointResponse attribute) (httk.web.model.page.PageResult attribute) (httk.web.model.PageResult attribute) context (httk.core.dataloader.DatasetMeta attribute) (httk.core.DatasetMeta attribute) (httk.web.templating.base.TemplateRenderInput attribute) (httk.web.templating.TemplateRenderInput attribute) (httk.workflow.Attempt attribute) (httk.workflow.backends.AttemptLaunch attribute) (httk.workflow.protocol.OutcomeDraft attribute) (httk.workflow.sdk.Attempt attribute) context_path (httk.workflow.backends.AttemptLaunch attribute) control (httk.workflow.Attempt attribute) (httk.workflow.backends.AttemptLaunch attribute) (httk.workflow.compat.cwl.Workspace attribute) (httk.workflow.compat.pwd.Workspace attribute) (httk.workflow.protocol.OutcomeDraft attribute) (httk.workflow.sdk.Attempt attribute) (httk.workflow.Workspace attribute) conventional_cell() (httk.atomistic.Structure method) (httk.atomistic.structure.Structure method) (in module httk.atomistic) (in module httk.atomistic.standardization) ConventionalCellResult (class in httk.atomistic) (class in httk.atomistic.standardization) coordinate() (httk.atomistic.wyckoff.WyckoffBranch method) (httk.atomistic.WyckoffBranch method) coordinate_precision (httk.atomistic.asu_structure.ASUStructure property) (httk.atomistic.ASUStructure property) (httk.atomistic.Structure property) (httk.atomistic.structure.Structure property) (httk.atomistic.structure_record.StructureRecord attribute) (httk.atomistic.StructureRecord attribute) coordinates() (httk.atomistic.wyckoff.WyckoffPosition method) (httk.atomistic.WyckoffPosition method) copysign() (in module httk.core.vectors.vectormath) core_profile (httk.workflow.compat.cwl.Workspace attribute) (httk.workflow.compat.pwd.Workspace attribute) (httk.workflow.Workspace attribute) CORE_PROFILE (in module httk.workflow.protocol) CORE_STATE_KINDS (in module httk.workflow.protocol) cos() (httk.core.FracVector method) (httk.core.vectors.FracVector method) (httk.core.vectors.fracvector.FracVector 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.data.db.searcher.SqlSearcher method) (httk.data.query.Searcher method) (httk.data.Searcher method) (httk.optimade.backend.execution.StoreResults method) (httk.optimade.backend.memory_store.MemorySearcher method) (httk.optimade.backend.protocols.QueryResults method) (httk.optimade.backend.protocols.Searcher method) (httk.optimade.backend.QueryResults method) (httk.optimade.backend.Searcher method) (httk.optimade.backend.StoreResults method) (httk.optimade.model.QueryResults method) (httk.optimade.model.results.QueryResults method) counts (httk.workflow.vasp.PoscarHeader attribute) create() (httk.atomistic.Species class method) (httk.atomistic.species.Species class method) (httk.core.Backend class method) (httk.core.Calculation 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.FracScalar class method) (httk.core.FracVector class method) (httk.core.Reference class method) (httk.core.SurdVector class method) (httk.core.vectors.FracScalar class method) (httk.core.vectors.FracVector class method) (httk.core.vectors.fracvector.FracScalar class method) (httk.core.vectors.fracvector.FracVector class method) (httk.core.vectors.SurdVector class method) (httk.core.vectors.surdvector.SurdVector class method) (httk.core.views.Backend class method) (httk.core.views.backend.Backend class method) (httk.workflow.protocol.ReplayableWorkdirBatch class method) create_app() (in module httk.optimade.runtime) (in module httk.optimade.runtime.asgi) (in module httk.web.runtime) (in module httk.web.runtime.asgi) create_asgi_app() (in module httk.optimade) (in module httk.optimade.api) (in module httk.web) (in module httk.web.api) create_cos() (httk.core.FracVector class method) (httk.core.vectors.FracVector class method) (httk.core.vectors.fracvector.FracVector class method) create_exp() (httk.core.FracVector class method) (httk.core.vectors.FracVector class method) (httk.core.vectors.fracvector.FracVector class method) create_fast() (httk.core.FracVector class method) (httk.core.vectors.FracVector class method) (httk.core.vectors.fracvector.FracVector class method) create_manifest() (in module httk.workflow.manifests) create_sin() (httk.core.FracVector class method) (httk.core.vectors.FracVector class method) (httk.core.vectors.fracvector.FracVector class method) created (httk.workflow.manifests.MaintenanceLock attribute) CREDENTIALS_FILE (in module httk.workflow.adapters) cross() (httk.core.FracVector method) (httk.core.vectors.FracVector method) (httk.core.vectors.fracvector.FracVector method) crossref (httk.core.entry_types.Reference attribute) (httk.core.Reference attribute) crystal_system (httk.atomistic.Spacegroup property) (httk.atomistic.spacegroup.Spacegroup property) crystal_to_cartesian() (in module httk.io.cif.mcif_parser) ctime (httk.core.entry_types.File attribute) (httk.core.File attribute) cubic_supercell() (httk.atomistic.Structure method) (httk.atomistic.structure.Structure method) (in module httk.atomistic) (in module httk.atomistic.supercell) cubicity_score (httk.atomistic.supercell.SupercellResult attribute) (httk.atomistic.SupercellResult attribute) cur (httk.optimade.backend.execution.StoreResults attribute) (httk.optimade.backend.StoreResults attribute) cwd (httk.core.cli_context.CLIContext attribute) (httk.core.CLIContext attribute) CwlImportError CwlNotes (class in httk.workflow.compat.cwl)

D

data (httk.core.DataLoader property) (httk.core.dataloader.DataLoader property) (httk.workflow.Attempt attribute) (httk.workflow.ChildResult attribute) (httk.workflow.harvesting.HarvestRecord property) (httk.workflow.HarvestRecord property) (httk.workflow.sdk.Attempt attribute) (httk.workflow.sdk.ChildResult attribute) data_available (httk.optimade.model.config.OptimadeConfig attribute) (httk.optimade.model.OptimadeConfig attribute) (httk.optimade.OptimadeConfig attribute) data_generation (httk.workflow.ChildResult attribute) (httk.workflow.harvesting.HarvestRecord attribute) (httk.workflow.HarvestRecord 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.workflow.configuration) data_mode (httk.workflow.ChildSpec attribute) (httk.workflow.protocol.JobDefinition attribute) (httk.workflow.protocol.JobSpec attribute) (httk.workflow.scaffold.JobTemplate attribute) (httk.workflow.scaffold.TemplateProvider attribute) (httk.workflow.sdk.ChildSpec attribute) data_path (httk.workflow.harvesting.HarvestRecord attribute) (httk.workflow.HarvestRecord attribute) Database (class in httk.data.db.engine) database (httk.optimade.model.config.OptimadeConfig attribute) (httk.optimade.model.OptimadeConfig attribute) (httk.optimade.OptimadeConfig attribute) DataLoader (class in httk.core) (class in httk.core.dataloader) DataRecord (class in httk.core) (class in httk.core.dataloader) dataset_ids (httk.core.dataloader.DatasetMeta attribute) (httk.core.DatasetMeta attribute) DatasetMeta (class in httk.core) (class in httk.core.dataloader) dead (httk.workflow.manifests.MaintenanceLock property) decimal_precision() (in module httk.core) (in module httk.core.precision) declaration() (httk.workflow.Attempt method) (httk.workflow.sdk.Attempt method) declarations (httk.workflow.ChildSpec attribute) (httk.workflow.harvesting.HarvestRecord attribute) (httk.workflow.HarvestRecord attribute) (httk.workflow.protocol.JobDefinition attribute) (httk.workflow.protocol.JobSpec attribute) (httk.workflow.sdk.ChildSpec attribute) declarations_of() (in module httk.workflow.harvesting) declare() (httk.workflow.Attempt method) (httk.workflow.sdk.Attempt method) decode (httk.data.db.codecs.ValueCodec attribute) (httk.data.db.ValueCodec attribute) decode_fraction_exact() (in module httk.data.db) (in module httk.data.db.codecs) decode_fracvector_exact() (in module httk.data.db) (in module httk.data.db.codecs) decode_surdscalar_exact() (in module httk.data.db) (in module httk.data.db.codecs) DecodeObjectCallback (in module httk.core) (in module httk.core.dataloader) decomposition() (httk.atomistic.phase_diagram.PhaseDiagram method) (httk.atomistic.PhaseDiagram method) decompress_files() (in module httk.workflow.runtime_utils) dedup (httk.core.storage_markers.StorageInfo attribute) (httk.core.StorageInfo attribute) (httk.data.db.schema.TableSchema attribute) (httk.data.db.TableSchema attribute) DedupPolicy (in module httk.core) (in module httk.core.storage_markers) default_accuracy (in module httk.core.exactmath) DEFAULT_CAPTURE_LIMIT (in module httk.workflow.supervision) DEFAULT_CONTENT_EXTENSIONS (in module httk.web.engine.discovery) DEFAULT_DIAGNOSTIC_LIMIT (in module httk.workflow.supervision) DEFAULT_FOLLOW_INTERVAL (in module httk.workflow.supervision) DEFAULT_HARVEST_STATES (in module httk.workflow.harvesting) DEFAULT_KPOINT_CENTERING (in module httk.workflow.vasp) DEFAULT_MANIFEST_EXCLUSIONS (in module httk.workflow.projects) DEFAULT_MAXIMUM_EMBEDDED_BYTES (in module httk.workflow.compat.pwd) DEFAULT_OFFER_STATES (in module httk.workflow.transfers) DEFAULT_PLACEMENT (in module httk.workflow.compat.cwl) (in module httk.workflow.compat.pwd) (in module httk.workflow.scaffold) DEFAULT_REMEDY_HISTORY (in module httk.workflow.vasp) default_response_fields (httk.optimade.schema.served.ServedSchema attribute) 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_TOLERANCE (in module httk.atomistic) (in module httk.atomistic.asu_recognition) definition_id (httk.core.property_definitions.PropertyDefinition property) (httk.core.PropertyDefinition property) degrees() (in module httk.core.vectors.vectormath) delete() (httk.workflow.JobState method) denom (httk.core.FracScalar attribute) (httk.core.FracVector attribute) (httk.core.vectors.FracScalar attribute) (httk.core.vectors.FracVector attribute) (httk.core.vectors.fracvector.FracScalar attribute) (httk.core.vectors.fracvector.FracVector attribute) dependency_doc_targets() (in module httk.core.docs) (in module httk.core.docs.release) derive_ed25519_public_key (in module httk.core) (in module httk.core.ed25519) derive_internal_intersphinx_mapping() (in module httk.core.docs.sphinx_ext) derive_seed() (in module httk.workflow.vasp) derived (httk.data.db.FieldSpec attribute) (httk.data.db.schema.FieldSpec attribute) describe() (httk.workflow.manifests.MaintenanceLock method)

describe_project() (in module httk.core.project.cli) (in module httk.workflow.hygiene) describe_remote() (in module httk.workflow.hygiene) describe_runner() (in module httk.workflow.scaffold) description (httk.core.entry_provider.RelatedEntry attribute) (httk.core.entry_types.File attribute) (httk.core.EntryTypeDefinition property) (httk.core.File 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.RelationshipLink attribute) (httk.core.storage_markers.Related attribute) (httk.core.storage_markers.RelationshipLink attribute) (httk.workflow.configuration.ConfigKey attribute) description() (httk.workflow.Runner method) (httk.workflow.sdk.Runner method) det() (httk.core.FracVector method) (httk.core.SurdVector method) (httk.core.vectors.FracVector method) (httk.core.vectors.fracvector.FracVector 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.compat.cwl.Workspace method) (httk.workflow.compat.pwd.Workspace method) (httk.workflow.Workspace method) detach_job() (in module httk.workflow.transfers) detail (httk.data.FilterTranslationError attribute) (httk.data.optimade_query.FilterTranslationError attribute) (httk.workflow.protocol.RecordVerification attribute) details (httk.workflow.hygiene.Finding attribute) (httk.workflow.protocol.Failure attribute) determinant() (httk.atomistic.affine_operation.AffineOperation method) (httk.atomistic.AffineOperation method) (httk.atomistic.setting_transform.SettingTransform method) (httk.atomistic.SettingTransform method) determine_optimade_version() (in module httk.optimade.engine) (in module httk.optimade.engine.validate) diagnose_vasp_files() (in module httk.workflow.vasp) Diagnostic (class in httk.workflow.supervision) diagnostics (httk.workflow.supervision.ProcessReport attribute) (httk.workflow.vasp.VaspRunReport attribute) digest (httk.workflow.protocol.JobDefinition property) dim (httk.core.FracVector property) (httk.core.SurdVector property) (httk.core.VectorAPI property) (httk.core.VectorFrac property) (httk.core.VectorNative 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_frac.VectorFrac property) (httk.core.vectors.vector_native.VectorNative property) (httk.core.vectors.vector_numpy.VectorNumpy property) (httk.core.vectors.vector_surd.VectorSurd property) (httk.core.vectors.VectorAPI property) (httk.core.vectors.VectorFrac property) (httk.core.vectors.VectorNative property) (httk.core.vectors.VectorSurd property) (httk.core.VectorSurd property) dimension_slices (httk.optimade.model.request.ValidatedParameters attribute) (httk.optimade.model.ValidatedParameters attribute) (httk.optimade.ValidatedParameters attribute) dimensions (httk.core.property_definitions.PropertyDefinition property) (httk.core.PropertyDefinition property) (httk.optimade.backend.partial.PartialValue attribute) (httk.optimade.backend.PartialValue attribute) discard_staged_bundle() (in module httk.workflow.transfers) discover_project() (in module httk.core.project) (in module httk.core.project.anchor) (in module httk.workflow.projects) discovery_budget (httk.workflow.TaskManager attribute) dispose() (httk.data.db.engine.Database method) distribution (httk.core.docs.config.InternalDependency attribute) (httk.core.docs.InternalDependency attribute) DOCKER_CAPABILITY (in module httk.workflow.compat.cwl) DOCTOR_FRAME_FORMAT (in module httk.workflow.hygiene) DOCTOR_REPORT_FORMAT (in module httk.workflow.hygiene) document (httk.workflow.compat.cwl.ImportedCwl attribute) DOCUMENT_FILE (in module httk.workflow.compat.cwl) (in module httk.workflow.compat.pwd) document_label() (in module httk.core.docs.sphinx_ext) DocumentSignature (class in httk.workflow.configuration) doi (httk.core.entry_types.Reference attribute) (httk.core.Reference attribute) dot() (httk.core.FracVector method) (httk.core.SurdVector method) (httk.core.vectors.FracVector method) (httk.core.vectors.fracvector.FracVector method) (httk.core.vectors.SurdVector method) (httk.core.vectors.surdvector.SurdVector method) dropped_diagnostics (httk.workflow.supervision.ProcessReport attribute) duckdb() (httk.data.db.engine.Database class method) durable (httk.workflow.compat.cwl.Workspace attribute) (httk.workflow.compat.pwd.Workspace attribute) (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) (in module httk.core.ed25519) ed25519_generate_seed() (in module httk.core) (in module httk.core.ed25519) ed25519_public_key() (in module httk.core) (in module httk.core.ed25519) ed25519_sign() (in module httk.core) (in module httk.core.ed25519) ed25519_verify() (in module httk.core) (in module httk.core.ed25519) edges (httk.workflow.compat.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) element_columns (httk.data.db.ChildTableSpec attribute) (httk.data.db.schema.ChildTableSpec attribute) elements (httk.atomistic.phase_diagram.PhaseDiagram property) (httk.atomistic.PhaseDiagram property) encode (httk.data.db.codecs.ValueCodec attribute) (httk.data.db.ValueCodec attribute) encode_fraction_exact() (in module httk.data.db) (in module httk.data.db.codecs) encode_fracvector_exact() (in module httk.data.db) (in module httk.data.db.codecs) encode_fracvector_floats() (in module httk.data.db) (in module httk.data.db.codecs) encode_record_ref() (in module httk.workflow.protocol) encode_surdscalar_exact() (in module httk.data.db) (in module httk.data.db.codecs) encoding (httk.core.datastream.textstream_file_view.TextstreamFileView property) (httk.core.datastream.TextstreamFileView property) (httk.core.TextstreamFileView property) (httk.optimade.EndpointResponse attribute) (httk.optimade.model.EndpointResponse attribute) (httk.optimade.model.request.EndpointResponse attribute) endpoint (httk.optimade.model.RawRequest attribute) (httk.optimade.model.request.RawRequest attribute) (httk.optimade.model.request.ValidatedRequest attribute) (httk.optimade.model.ValidatedRequest attribute) (httk.optimade.RawRequest attribute) (httk.optimade.ValidatedRequest attribute) EndpointResponse (class in httk.optimade) (class in httk.optimade.model) (class in httk.optimade.model.request) endswith() (httk.data.db.searcher.SqlColumn method) (httk.data.query.SearchField method) (httk.data.SearchField method) (httk.optimade.backend.memory_store.MemoryField method) (httk.optimade.backend.protocols.SearchField method) (httk.optimade.backend.SearchField method) energies_per_atom (httk.atomistic.phase_diagram.PhaseDiagram property) (httk.atomistic.PhaseDiagram property) energy_above_hull (httk.atomistic.phase_diagram.PhaseDiagram property) (httk.atomistic.PhaseDiagram property) engine (httk.data.db.engine.Database property) ensure_identity_key() (in module httk.workflow.configuration) ensure_tables() (httk.data.db.store.SqlStore method) entry_info (httk.optimade.schema.served.ServedSchema attribute) entry_providers (in module httk.core.register) entry_type (httk.core.entry_provider.RelatedEntry attribute) (httk.core.RelatedEntry attribute)

entry_type_definition_from_simple() (in module httk.optimade.schema.served) entry_types() (httk.atomistic.structure_entries.StructureEntryProvider method) (httk.atomistic.StructureEntryProvider method) (httk.core.entry_provider.EntryProvider method) (httk.core.EntryProvider method) (httk.data.CalculationEntryProvider method) (httk.data.db.entry_provider.StoreEntryProvider method) (httk.data.entry_providers.CalculationEntryProvider method) (httk.data.entry_providers.FileEntryProvider method) (httk.data.entry_providers.ReferenceEntryProvider method) (httk.data.FileEntryProvider method) (httk.data.ReferenceEntryProvider method) EntryProvider (class in httk.core) (class in httk.core.entry_provider) EntrySource (class in httk.optimade) (class in httk.optimade.backend) (class in httk.optimade.backend.adapter) EntryTypeDefinition (class in httk.core) (class in httk.core.property_definitions) erf() (in module httk.core.vectors.vectormath) erfc() (in module httk.core.vectors.vectormath) errors (httk.core.datastream.textstream_file_view.TextstreamFileView property) (httk.core.datastream.TextstreamFileView property) (httk.core.TextstreamFileView property) esd (httk.io.cif.cif_parser.CifMeta attribute) evaluate_expression() (in module httk.workflow.runtime_utils) event (httk.workflow.supervision.SourceEvent attribute) evidence (httk.workflow.supervision.Diagnostic attribute) exact (httk.atomistic.numeric_cell.NumericCell property) (httk.atomistic.numeric_sites.NumericSites property) (httk.atomistic.numeric_unitcell_structure_view.NumericUnitcellStructureView property) (httk.atomistic.NumericCell property) (httk.atomistic.NumericSites property) (httk.atomistic.NumericUnitcellStructureView property) execute() (httk.web.functions.python_module.PythonFunctionHandler method) (httk.web.functions.PythonFunctionHandler method) execute_query() (in module httk.optimade.backend) (in module httk.optimade.backend.execution) exit_code (httk.workflow.manifests.ManifestVerification property) exp() (httk.core.FracVector method) (httk.core.vectors.FracVector method) (httk.core.vectors.fracvector.FracVector method) (in module httk.core.exactmath) (in module httk.core.vectors.vectormath) expand_sites() (httk.atomistic.asu_structure.ASUStructure method) (httk.atomistic.ASUStructure method) expand_species_at_sites() (httk.atomistic.asu_structure.ASUStructure method) (httk.atomistic.ASUStructure method) expected_generation (httk.workflow.protocol.TransactionBuilder attribute) expm1() (in module httk.core.vectors.vectormath) extended() (httk.core.EntryTypeDefinition method) (httk.core.property_definitions.EntryTypeDefinition method) extensions (httk.core.CompressionCodec attribute) (httk.core.datastream.compression.CompressionCodec attribute) (httk.core.datastream.CompressionCodec attribute) (httk.workflow.compat.cwl.Workspace attribute) (httk.workflow.compat.pwd.Workspace attribute) (httk.workflow.Workspace attribute) extract_fourier() (in module httk.io.cif.mcif_parser) extract_fourier_coeffs() (in module httk.io.cif.mcif_parser) extract_parent_q_basis() (in module httk.io.cif.mcif_parser) eye() (httk.core.FracVector class method) (httk.core.vectors.FracVector class method) (httk.core.vectors.fracvector.FracVector 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) failed (httk.workflow.ChildrenView property) (httk.workflow.ChildResult property) (httk.workflow.sdk.ChildrenView property) (httk.workflow.sdk.ChildResult property) Failure (class in httk.workflow.protocol) failure (httk.workflow.ChildResult attribute) (httk.workflow.harvesting.HarvestRecord attribute) (httk.workflow.HarvestRecord attribute) (httk.workflow.protocol.StateFrame property) (httk.workflow.sdk.ChildResult attribute) false_handler() (in module httk.data.optimade_query) (in module httk.optimade.backend.handlers) fetch (httk.optimade.backend.partial.PartialValue attribute) (httk.optimade.backend.PartialValue attribute) fetch() (httk.data.db.store.SqlStore method) fetch_by_content_id() (httk.data.db.store.SqlStore method) fetch_inventory() (in module httk.core.docs) (in module httk.core.docs.inventories) field (httk.data.db.FieldSpec attribute) (httk.data.db.schema.FieldSpec attribute) field() (httk.data.db.schema.TableSchema method) (httk.data.db.TableSchema method) field_handlers (httk.optimade.backend.adapter.BackendAdapter attribute) (httk.optimade.backend.BackendAdapter attribute) (httk.optimade.BackendAdapter attribute) FieldExtractor (in module httk.optimade.backend.adapter) FieldRole (in module httk.data.db) (in module httk.data.db.schema) fields (httk.core.dataloader.DatasetMeta attribute) (httk.core.DatasetMeta attribute) (httk.data.db.schema.TableSchema attribute) (httk.data.db.TableSchema attribute) (httk.optimade.backend.adapter.EntrySource attribute) (httk.optimade.backend.EntrySource attribute) (httk.optimade.EntrySource attribute) FieldSpec (class in httk.data.db) (class in httk.data.db.schema) File (class in httk.core) (class in httk.core.entry_types) FileEntryProvider (class in httk.data) (class in httk.data.entry_providers) files (httk.workflow.scaffold.JobItem attribute) FILES_DIRECTORY (in module httk.workflow.compat.cwl) (in module httk.workflow.compat.pwd) (in module httk.workflow.scaffold) filter (httk.optimade.model.request.ValidatedParameters attribute) (httk.optimade.model.ValidatedParameters attribute) (httk.optimade.ValidatedParameters attribute) filter_lock_pins() (in module httk.core.docs) (in module httk.core.docs.lockfile) filter_searcher() (in module httk.data) (in module httk.data.optimade_query) FilterAst (in module httk.core) (in module httk.core.optimade_filter) (in module httk.core.optimade_filter.parser) FilterTranslationCategory (in module httk.data) (in module httk.data.optimade_query) FilterTranslationError, [1] find_marker_at() (httk.workflow.compat.cwl.Workspace method) (httk.workflow.compat.pwd.Workspace method) (httk.workflow.Workspace method) find_marker_by_id() (httk.workflow.compat.cwl.Workspace method) (httk.workflow.compat.pwd.Workspace method) (httk.workflow.Workspace method) find_markers() (httk.workflow.compat.cwl.Workspace method) (httk.workflow.compat.pwd.Workspace method) (httk.workflow.Workspace method) Finding (class in httk.workflow.hygiene) finished_at (httk.workflow.supervision.ProcessReport attribute) flatten() (httk.core.FracVector method) (httk.core.vectors.FracVector method) (httk.core.vectors.fracvector.FracVector method) floor() (httk.core.FracVector method) (httk.core.vectors.FracVector method) (httk.core.vectors.fracvector.FracVector 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) for_hall_entry() (httk.atomistic.setting_transform.SettingTransform class method) (httk.atomistic.SettingTransform class method) (httk.atomistic.Spacegroup class method) (httk.atomistic.spacegroup.Spacegroup class method) for_hm_entry() (httk.atomistic.Spacegroup class method) (httk.atomistic.spacegroup.Spacegroup class method) for_setting() (httk.atomistic.Spacegroup class method) (httk.atomistic.spacegroup.Spacegroup class method) format (httk.workflow.compat.cwl.Workspace attribute) (httk.workflow.compat.pwd.Workspace attribute) (httk.workflow.Workspace attribute) format_adapters (in module httk.core.register) format_optimade_error() (in module httk.optimade.endpoints) (in module httk.optimade.endpoints.error) format_public_key() (in module httk.core.project) (in module httk.core.project.anchor) (in module httk.workflow.projects)

format_value() (in module httk.data) (in module httk.data.optimade_query) (in module httk.optimade.backend.translation) format_version (httk.core.property_definitions.PropertyDefinition property) (httk.core.PropertyDefinition property) FormatError, [1], [2] FracScalar (class in httk.core) (class in httk.core.vectors) (class in httk.core.vectors.fracvector) FRACTION_EXACT_FORMAT (in module httk.data.db) (in module httk.data.db.codecs) fraction_from_continued_fraction() (in module httk.core.exactmath) fractions (httk.core.VectorAPI property) (httk.core.VectorFrac property) (httk.core.VectorNative property) (httk.core.vectors.vector_api.VectorAPI property) (httk.core.vectors.vector_frac.VectorFrac property) (httk.core.vectors.vector_native.VectorNative property) (httk.core.vectors.vector_numpy.VectorNumpy property) (httk.core.vectors.vector_surd.VectorSurd property) (httk.core.vectors.VectorAPI property) (httk.core.vectors.VectorFrac property) (httk.core.vectors.VectorNative property) (httk.core.vectors.VectorSurd property) (httk.core.VectorSurd property) Fractions (in module httk.core.vectors.vector_api) FracVector (class in httk.core) (class in httk.core.vectors) (class in httk.core.vectors.fracvector) FRACVECTOR_EXACT_FORMAT (in module httk.data.db) (in module httk.data.db.codecs) frame (httk.workflow.protocol.JournalFrame attribute) (httk.workflow.protocol.RecordVerification attribute) free (httk.atomistic.wyckoff.WyckoffBranch property) (httk.atomistic.wyckoff.WyckoffPosition property) (httk.atomistic.WyckoffBranch property) (httk.atomistic.WyckoffPosition property) free_count (httk.atomistic.asu_structure.ASUSite property) (httk.atomistic.ASUSite property) (httk.atomistic.wyckoff.WyckoffPosition property) (httk.atomistic.WyckoffPosition property) free_params (httk.atomistic.asu_structure.ASUSite attribute) (httk.atomistic.ASUSite attribute) frexp() (in module httk.core.vectors.vectormath) from_bytes() (httk.workflow.protocol.JobDefinition class method) from_compositions() (httk.atomistic.phase_diagram.PhaseDiagram class method) (httk.atomistic.PhaseDiagram class method) from_floats() (httk.core.FracVector class method) (httk.core.vectors.FracVector class method) (httk.core.vectors.fracvector.FracVector class method) from_fraction (httk.core.LeafCodec attribute) (httk.core.vectors.leaf_codecs.LeafCodec attribute) (httk.core.vectors.LeafCodec attribute) from_FracVector() (httk.core.MutableFracVector class method) (httk.core.vectors.MutableFracVector class method) (httk.core.vectors.mutablefracvector.MutableFracVector class method) from_mapping() (httk.workflow.harvesting.HarvestRecord class method) (httk.workflow.HarvestRecord 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.supervision.CheckerSpec 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_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.affine_operation.AffineOperation class method) (httk.atomistic.AffineOperation class method) (httk.atomistic.wyckoff.WyckoffPosition class method) (httk.atomistic.WyckoffPosition class method) from_simple() (httk.core.property_definitions.PropertyDefinition class method) (httk.core.PropertyDefinition class method) from_species() (httk.atomistic.SpeciesRecord class method) (httk.atomistic.structure_record.SpeciesRecord class method) from_srcdir() (httk.web.model.config.SiteConfig class method) (httk.web.model.SiteConfig class method) from_structure() (httk.atomistic.structure_record.StructureRecord class method) (httk.atomistic.StructureRecord class method) from_structures() (httk.atomistic.phase_diagram.PhaseDiagram class method) (httk.atomistic.PhaseDiagram class method) from_symop_record() (httk.atomistic.affine_operation.AffineOperation class method) (httk.atomistic.AffineOperation class method) from_tuple() (httk.core.FracVector class method) (httk.core.vectors.FracVector class method) (httk.core.vectors.fracvector.FracVector class method) fsum() (in module httk.core.vectors.vectormath) fulltype_of() (in module httk.optimade.schema.served) function_handler (httk.web.engine.site_engine.SiteEngine attribute) (httk.web.engine.SiteEngine attribute) FunctionInjectionError, [1] functions (httk.workflow.compat.pwd.PwdDocument property) functions_dir (httk.web.functions.python_module.PythonFunctionHandler attribute) (httk.web.functions.PythonFunctionHandler attribute) (httk.web.model.config.SiteConfig property) (httk.web.model.SiteConfig property) functions_subdir (httk.web.model.config.SiteConfig attribute) (httk.web.model.SiteConfig attribute)

G

gamma (httk.atomistic.cell_params_view.CellParamsView property) (httk.atomistic.CellParamsView property) gamma() (in module httk.core.vectors.vectormath) gaps (httk.workflow.harvesting.HarvestRecord property) (httk.workflow.HarvestRecord property) gather() (httk.workflow.Attempt method) (httk.workflow.sdk.Attempt method) gc_interval (httk.workflow.TaskManager attribute) generate_base_endpoint_reply() (in module httk.optimade.endpoints) (in module httk.optimade.endpoints.info) generate_ed25519_seed (in module httk.core) (in module httk.core.ed25519) generate_entry_endpoint_reply() (in module httk.optimade.endpoints) (in module httk.optimade.endpoints.entries) generate_entry_info_endpoint_reply() (in module httk.optimade.endpoints) (in module httk.optimade.endpoints.info) generate_info_endpoint_reply() (in module httk.optimade.endpoints) (in module httk.optimade.endpoints.info) generate_links_endpoint_reply() (in module httk.optimade.endpoints) (in module httk.optimade.endpoints.info) generate_lock() (in module httk.core.docs) (in module httk.core.docs.lockfile) generate_meta() (in module httk.optimade.endpoints) (in module httk.optimade.endpoints.meta) generate_partial_data_reply() (in module httk.optimade.endpoints.partial_data) generate_single_entry_endpoint_reply() (in module httk.optimade.endpoints) (in module httk.optimade.endpoints.entries) generate_versions_endpoint_reply() (in module httk.optimade.endpoints) (in module httk.optimade.endpoints.info) generation (httk.workflow.protocol.Marker attribute) get() (httk.workflow.ChildrenView method) (httk.workflow.sdk.ChildrenView method) get_append() (httk.core.FracVector method) (httk.core.vectors.FracVector method) (httk.core.vectors.fracvector.FracVector method)

get_atomic_numbers() (httk.atomistic.ASEAtomsProtocol method) (httk.atomistic.compat.ASEAtomsProtocol method) get_cell() (httk.atomistic.ASEAtomsProtocol method) (httk.atomistic.compat.ASEAtomsProtocol method) get_continued_fraction() (in module httk.core.exactmath) get_extend() (httk.core.FracVector method) (httk.core.vectors.FracVector method) (httk.core.vectors.fracvector.FracVector method) get_insert() (httk.core.FracVector method) (httk.core.vectors.FracVector method) (httk.core.vectors.fracvector.FracVector method) get_pbc() (httk.atomistic.ASEAtomsProtocol method) (httk.atomistic.compat.ASEAtomsProtocol method) get_prepend() (httk.core.FracVector method) (httk.core.vectors.FracVector method) (httk.core.vectors.fracvector.FracVector method) get_prestacked() (httk.core.FracVector method) (httk.core.vectors.FracVector method) (httk.core.vectors.fracvector.FracVector method) get_prextend() (httk.core.FracVector method) (httk.core.vectors.FracVector method) (httk.core.vectors.fracvector.FracVector method) get_scaled_positions() (httk.atomistic.ASEAtomsProtocol method) (httk.atomistic.compat.ASEAtomsProtocol method) get_stacked() (httk.core.FracVector method) (httk.core.vectors.FracVector method) (httk.core.vectors.fracvector.FracVector method) get_stackedinsert() (httk.core.FracVector method) (httk.core.vectors.FracVector method) (httk.core.vectors.fracvector.FracVector method) GitSiteError, [1] GitUnavailableError, [1] give_up (httk.workflow.vasp.VaspRemedyDecision attribute) global_data (httk.web.engine.site_engine.SiteEngine attribute) (httk.web.engine.SiteEngine attribute) group_columns (httk.data.db.searcher.SqlExpression attribute)

H

hall_entry (httk.atomistic.setting_transform.SettingTransform property) (httk.atomistic.SettingTransform property) (httk.atomistic.Spacegroup property) (httk.atomistic.spacegroup.Spacegroup property) hall_symbol (httk.atomistic.Spacegroup property) (httk.atomistic.spacegroup.Spacegroup property) handler (httk.core.register.CLICommand attribute) Handler (in module httk.core.project.cli) HandlerTable (in module httk.data) (in module httk.data.optimade_query) (in module httk.optimade.backend.handlers) harvest() (in module httk.workflow) (in module httk.workflow.harvesting) HARVEST_FORMAT (in module httk.workflow.harvesting) HARVEST_FORMAT_VERSION (in module httk.workflow.harvesting) harvest_kinds() (in module httk.workflow.harvesting) HARVESTABLE_KINDS (in module httk.workflow.harvesting) HarvestRecord (class in httk.workflow) (class in httk.workflow.harvesting) has() (httk.workflow.protocol.StateFrame method) has_any() (httk.data.db.searcher.SqlColumn method) (httk.data.db.searcher.SqlReference method) (httk.data.query.SearchField method) (httk.data.SearchField method) (httk.optimade.backend.memory_store.MemoryField method) (httk.optimade.backend.protocols.SearchField method) (httk.optimade.backend.SearchField method) has_only() (httk.data.db.searcher.SqlColumn method) (httk.data.db.searcher.SqlReference method) (httk.data.query.SearchField method) (httk.data.SearchField method) (httk.optimade.backend.memory_store.MemoryField method) (httk.optimade.backend.protocols.SearchField method) (httk.optimade.backend.SearchField method) having_clause (httk.data.db.searcher.SqlExpression attribute) header (httk.core.dataloader.DatasetMeta attribute) (httk.core.DatasetMeta attribute) headers (httk.web.model.HttpRequestContext attribute) (httk.web.model.request.HttpRequestContext 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.spacegroup.Spacegroup property) hermann_mauguin_full (httk.atomistic.Spacegroup property) (httk.atomistic.spacegroup.Spacegroup property) highest_version() (in module httk.core.docs) (in module httk.core.docs.semver) host_static (httk.web.model.config.SiteConfig attribute) (httk.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.web.renderers.base.RenderResult attribute) (httk.web.renderers.RenderResult attribute) HtmlRenderer (class in httk.web.renderers) (class in httk.web.renderers.html) httk.atomistic module httk.atomistic.affine_operation module httk.atomistic.ase_atoms_view module httk.atomistic.asu_recognition module httk.atomistic.asu_structure module httk.atomistic.asu_structure_view module httk.atomistic.cell module httk.atomistic.cell_api module httk.atomistic.cell_backend module httk.atomistic.cell_class module httk.atomistic.cell_class_view module httk.atomistic.cell_like module httk.atomistic.cell_numeric_view module httk.atomistic.cell_params module httk.atomistic.cell_params_view module httk.atomistic.cell_primitive module httk.atomistic.cell_primitive_view module httk.atomistic.cell_view module httk.atomistic.cif_structures module httk.atomistic.compat module httk.atomistic.data module httk.atomistic.elements module httk.atomistic.httk_definitions module httk.atomistic.numeric_cell module httk.atomistic.numeric_sites module httk.atomistic.numeric_unitcell_structure_backend module httk.atomistic.numeric_unitcell_structure_view module httk.atomistic.phase_diagram module httk.atomistic.precision_entries module httk.atomistic.setting_transform module httk.atomistic.sites module httk.atomistic.sites_api module httk.atomistic.sites_backend module httk.atomistic.sites_class module httk.atomistic.sites_class_view module httk.atomistic.sites_like module httk.atomistic.sites_numeric_view module httk.atomistic.sites_primitive module httk.atomistic.sites_primitive_view module httk.atomistic.sites_view module httk.atomistic.spacegroup module httk.atomistic.species module httk.atomistic.species_api module httk.atomistic.species_backend module httk.atomistic.species_class module httk.atomistic.species_class_view module httk.atomistic.species_like module httk.atomistic.species_primitive module httk.atomistic.species_primitive_view module httk.atomistic.species_view module httk.atomistic.standardization module httk.atomistic.structure module httk.atomistic.structure_api module httk.atomistic.structure_asu module httk.atomistic.structure_backend module httk.atomistic.structure_comparison module httk.atomistic.structure_entries module httk.atomistic.structure_like module httk.atomistic.structure_primitive module httk.atomistic.structure_primitive_view module httk.atomistic.structure_record module httk.atomistic.structure_record_backend module httk.atomistic.structure_view module httk.atomistic.supercell module httk.atomistic.symmetry_entries module httk.atomistic.unitcell_structure_backend module httk.atomistic.unitcell_structure_view module httk.atomistic.vasp_structures module httk.atomistic.wyckoff module httk.core module httk.core.cli module httk.core.cli_context module httk.core.dataloader 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.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.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.ed25519 module httk.core.entry_provider module httk.core.entry_types module httk.core.exactmath module httk.core.loading module

httk.core.optimade_filter module httk.core.optimade_filter.parser module httk.core.precision module httk.core.project module httk.core.project.anchor module httk.core.project.cli module httk.core.property_definitions module httk.core.register module httk.core.storage_markers 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 module httk.core.vectors.vector_frac_view module httk.core.vectors.vector_like module httk.core.vectors.vector_native module httk.core.vectors.vector_native_view module httk.core.vectors.vector_numpy module httk.core.vectors.vector_numpy_view module httk.core.vectors.vector_surd 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.unwrapping module httk.core.views.view module httk.data module httk.data.db module httk.data.db.codecs module httk.data.db.engine module httk.data.db.entry_provider module httk.data.db.identity module httk.data.db.mapping module httk.data.db.optimade module httk.data.db.schema module httk.data.db.searcher module httk.data.db.store module httk.data.entry_providers module httk.data.optimade_query module httk.data.query module httk.data.validation module httk.handlers.atomistic module httk.handlers.core module httk.handlers.data module httk.handlers.io module httk.handlers.workflow module httk.io module httk.io.cif module httk.io.cif.cif_parser module httk.io.cif.cif_reader module httk.io.cif.cif_writer module httk.io.cif.mcif_parser module httk.io.cif.symops_utils module httk.io.vasp module httk.io.vasp.poscar_reader module httk.optimade module httk.optimade.api module httk.optimade.backend module httk.optimade.backend.adapter module httk.optimade.backend.execution module httk.optimade.backend.handlers module httk.optimade.backend.memory_store module httk.optimade.backend.partial module httk.optimade.backend.protocols module httk.optimade.backend.providers module httk.optimade.backend.translation module httk.optimade.endpoints module httk.optimade.endpoints.entries module httk.optimade.endpoints.error module httk.optimade.endpoints.info module httk.optimade.endpoints.meta module httk.optimade.endpoints.partial_data module httk.optimade.engine module httk.optimade.engine.processing module httk.optimade.engine.validate module httk.optimade.filter module httk.optimade.model module httk.optimade.model.config module httk.optimade.model.errors module httk.optimade.model.request module httk.optimade.model.results module httk.optimade.model.versions module httk.optimade.runtime module httk.optimade.runtime.asgi module httk.optimade.runtime.devserver module httk.optimade.schema module httk.optimade.schema.served module httk.optimade.schema.trajectories module httk.web module httk.web.api module httk.web.compat module httk.web.engine module httk.web.engine.discovery module httk.web.engine.site_engine module httk.web.functions module httk.web.functions.python_module module httk.web.model module httk.web.model.config module httk.web.model.errors module httk.web.model.page module httk.web.model.request module httk.web.publishing module httk.web.publishing.static module httk.web.renderers module httk.web.renderers.base module httk.web.renderers.html module httk.web.renderers.httkweb_compat module httk.web.renderers.markdown module httk.web.renderers.rst module httk.web.runtime module httk.web.runtime.asgi module httk.web.runtime.devserver module httk.web.templating module httk.web.templating.base module httk.web.templating.httk_compat module httk.web.templating.jinja2_engine module httk.workflow module httk.workflow.adapter_protocol module httk.workflow.adapters module httk.workflow.backends module httk.workflow.compat module httk.workflow.compat.cwl module httk.workflow.compat.pwd module httk.workflow.compat.v1 module httk.workflow.configuration module httk.workflow.errors module httk.workflow.harvesting module httk.workflow.hygiene module httk.workflow.manifests module httk.workflow.projects module httk.workflow.protocol 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 HttkCompatTemplateEngine (class in httk.web.templating) (class in httk.web.templating.httk_compat) HttkwebCompatRenderer (class in httk.web.renderers) (class in httk.web.renderers.httkweb_compat) HttpRequestContext (class in httk.web.model) (class in httk.web.model.request) hull_indices (httk.atomistic.phase_diagram.PhaseDiagram property) (httk.atomistic.PhaseDiagram property) hypot() (in module httk.core.vectors.vectormath)

I

id (httk.core.dataloader.DatasetMeta attribute) (httk.core.DatasetMeta attribute) (httk.core.entry_provider.RelatedEntry attribute) (httk.core.RelatedEntry attribute) (httk.workflow.protocol.JobDefinition attribute) identify_wyckoff() (httk.atomistic.Spacegroup method) (httk.atomistic.spacegroup.Spacegroup method) identity() (httk.atomistic.affine_operation.AffineOperation class method) (httk.atomistic.AffineOperation class method) (httk.atomistic.setting_transform.SettingTransform class method) (httk.atomistic.SettingTransform class method) IDENTITY_KEY_MEMBER (in module httk.workflow.configuration) identity_key_paths() (in module httk.workflow.configuration) identity_public_key() (in module httk.workflow.configuration) identity_seed() (in module httk.workflow.configuration) IDENTITY_SIGNATURE_DOMAIN (in module httk.workflow.configuration) IDENTITY_SIGNATURE_MEMBER (in module httk.workflow.configuration) ids (httk.atomistic.phase_diagram.PhaseDiagram property) (httk.atomistic.PhaseDiagram property) ImmutabilityError, [1] immutable_id (httk.core.Calculation 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.Reference attribute) implementation (httk.optimade.model.config.OptimadeConfig attribute) (httk.optimade.model.OptimadeConfig attribute) (httk.optimade.OptimadeConfig attribute) import_bundle() (httk.workflow.compat.cwl.Workspace method) (httk.workflow.compat.pwd.Workspace method) (httk.workflow.Workspace method) (in module httk.workflow.transfers) import_cwl() (in module httk.workflow.compat.cwl) import_pwd() (in module httk.workflow.compat.pwd) import_roots (httk.core.docs.config.VersioningConfig attribute) (httk.core.docs.VersioningConfig attribute) import_v1_configuration() (in module httk.workflow.configuration) 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) ImportedCwl (class in httk.workflow.compat.cwl) inactivity_timeout (httk.workflow.supervision.FollowSource attribute) incar_tags (httk.workflow.vasp.VaspPreparationOptions attribute) include (httk.optimade.model.request.ValidatedParameters attribute) (httk.optimade.model.ValidatedParameters attribute) (httk.optimade.ValidatedParameters attribute) include_paths (httk.optimade.model.request.ValidatedRequest attribute) (httk.optimade.model.ValidatedRequest attribute) (httk.optimade.ValidatedRequest attribute) index (httk.core.DataLoader property) (httk.core.dataloader.DataLoader property) Indexed (class in httk.core) (class in httk.core.storage_markers) indexed (httk.data.db.ColumnSpec attribute) (httk.data.db.schema.ColumnSpec attribute) indexes (httk.core.storage_markers.StorageInfo attribute) (httk.core.StorageInfo attribute) info (httk.core.optimade_filter.parser.ParserSyntaxError attribute) (httk.core.optimade_filter.ParserSyntaxError attribute) (httk.core.ParserSyntaxError attribute) (httk.optimade.filter.ParserSyntaxError attribute) (httk.optimade.ParserSyntaxError attribute) inherit() (httk.workflow.RunnerRef class method) (httk.workflow.sdk.RunnerRef class method) initial_step (httk.workflow.compat.cwl.ScaffoldedJob attribute) (httk.workflow.compat.pwd.ScaffoldedJob attribute) (httk.workflow.protocol.JobDefinition attribute) (httk.workflow.protocol.JobSpec attribute) (httk.workflow.scaffold.JobTemplate attribute) (httk.workflow.scaffold.ScaffoldedJob attribute) (httk.workflow.scaffold.TemplateProvider attribute) (httk.workflow.ScaffoldedJob attribute) INITIAL_STEP (in module httk.workflow.compat.cwl) (in module httk.workflow.compat.pwd) initialize() (httk.workflow.Attempt class method) (httk.workflow.compat.cwl.Workspace class method) (httk.workflow.compat.pwd.Workspace class method) (httk.workflow.sdk.Attempt class method) (httk.workflow.Workspace class method) initialize_config() (in module httk.workflow.configuration) initialize_project() (in module httk.core.project) (in module httk.core.project.anchor) (in module httk.workflow.projects) InMemoryStore (class in httk.optimade) (class in httk.optimade.backend) (class in httk.optimade.backend.memory_store)

input() (httk.workflow.Attempt method) (httk.workflow.sdk.Attempt method) input_names (httk.workflow.compat.pwd.PwdDocument property) inputs (httk.workflow.Attempt property) (httk.workflow.ChildSpec attribute) (httk.workflow.compat.cwl.ImportedCwl attribute) (httk.workflow.protocol.JobDefinition attribute) (httk.workflow.protocol.JobSpec attribute) (httk.workflow.scaffold.JobItem attribute) (httk.workflow.sdk.Attempt property) (httk.workflow.sdk.ChildSpec attribute) INPUTS_FILE (in module httk.workflow.compat.cwl) installed() (httk.workflow.RunnerRef class method) (httk.workflow.sdk.RunnerRef class method) 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) InternalDependency (class in httk.core.docs) (class in httk.core.docs.config) inv() (httk.core.FracVector method) (httk.core.SurdVector method) (httk.core.vectors.FracVector method) (httk.core.vectors.fracvector.FracVector method) (httk.core.vectors.SurdVector method) (httk.core.vectors.surdvector.SurdVector method) INVALID (in module httk.workflow.manifests) invalidate() (httk.core.MutableFracVector method) (httk.core.vectors.MutableFracVector method) (httk.core.vectors.mutablefracvector.MutableFracVector method) invalidate_marker_index() (httk.workflow.compat.cwl.Workspace method) (httk.workflow.compat.pwd.Workspace method) (httk.workflow.Workspace method) InventoryError, [1] inverse() (httk.atomistic.affine_operation.AffineOperation method) (httk.atomistic.AffineOperation method) (httk.atomistic.setting_transform.SettingTransform method) (httk.atomistic.SettingTransform method) (httk.core.SurdScalar method) (httk.core.vectors.SurdScalar method) (httk.core.vectors.surdvector.SurdScalar method) invert_op (in module httk.data) (in module httk.data.optimade_query) (in module httk.optimade.backend.handlers) is_identity() (httk.atomistic.affine_operation.AffineOperation method) (httk.atomistic.AffineOperation method) (httk.atomistic.setting_transform.SettingTransform method) (httk.atomistic.SettingTransform method) is_in() (httk.data.db.searcher.SqlColumn method) is_payload_private() (in module httk.workflow.protocol) is_rational (httk.core.SurdVector property) (httk.core.vectors.SurdVector property) (httk.core.vectors.surdvector.SurdVector property) is_rational_component() (in module httk.io.cif.mcif_parser) 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_sequence() (in module httk.io.cif.cif_writer) is_single_element (httk.atomistic.Species property) (httk.atomistic.species.Species property) is_stable() (httk.atomistic.phase_diagram.PhaseDiagram method) (httk.atomistic.PhaseDiagram method) is_stale() (httk.workflow.manifests.MaintenanceLock method) is_standard_setting (httk.atomistic.asu_structure.ASUStructure property) (httk.atomistic.ASUStructure property) (httk.atomistic.Spacegroup property) (httk.atomistic.spacegroup.Spacegroup property) is_unclean_restart (httk.workflow.protocol.AttemptContext attribute) (httk.workflow.runtime.AttemptContext attribute) 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) isinf() (in module httk.core.vectors.vectormath) isnan() (in module httk.core.vectors.vectormath) it_number (httk.atomistic.Spacegroup property) (httk.atomistic.spacegroup.Spacegroup property) iter_journal_frames() (in module httk.workflow.protocol) iter_segment_frames() (in module httk.workflow.protocol)

J

JinjaTemplateEngine (class in httk.web.templating) (class in httk.web.templating.jinja2_engine) job (httk.workflow.Attempt property) (httk.workflow.backends.AttemptLaunch attribute) (httk.workflow.backends.OutcomeCommit attribute) (httk.workflow.compat.cwl.ImportedCwl attribute) (httk.workflow.harvesting.HarvestRecord attribute) (httk.workflow.HarvestRecord attribute) (httk.workflow.sdk.Attempt property) job_digest() (in module httk.workflow.protocol) job_id (httk.workflow.ChildResult attribute) (httk.workflow.compat.cwl.ScaffoldedJob attribute) (httk.workflow.compat.pwd.ScaffoldedJob attribute) (httk.workflow.harvesting.HarvestRecord attribute) (httk.workflow.HarvestRecord 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) job_key (httk.workflow.ChildResult attribute) (httk.workflow.compat.cwl.ScaffoldedJob attribute) (httk.workflow.compat.pwd.ScaffoldedJob attribute) (httk.workflow.harvesting.HarvestRecord attribute) (httk.workflow.HarvestRecord 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)

job_remedy_history_path() (in module httk.workflow.vasp) JOB_SCAFFOLD_FORMAT (in module httk.workflow.scaffold) JobDefinition (class in httk.workflow.protocol) JobItem (class in httk.workflow.scaffold) JobSpec (class in httk.workflow.protocol) JobState (class in httk.workflow) JobTemplate (class in httk.workflow.scaffold) 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) 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 (httk.core.project.cli.ProjectShowSection attribute) json_response (httk.optimade.EndpointResponse attribute) (httk.optimade.model.EndpointResponse attribute) (httk.optimade.model.request.EndpointResponse attribute) json_type (httk.core.property_definitions.PropertyDefinition property) (httk.core.PropertyDefinition property)

K

key (httk.core.entry_types.Reference attribute) (httk.core.Reference attribute) key_fingerprint() (in module httk.core.project) (in module httk.core.project.anchor) (in module httk.workflow.projects) keys() (httk.core.dataloader.DataRecord method) (httk.core.DataRecord method) keys_home() (in module httk.workflow.configuration) kind (httk.data.db.ColumnSpec attribute) (httk.data.db.schema.ColumnSpec attribute) (httk.web.model.page.ResolvedRoute attribute) (httk.web.model.ResolvedRoute attribute) (httk.workflow.ChildResult attribute) (httk.workflow.protocol.Marker attribute) (httk.workflow.sdk.ChildResult attribute) known_cli_commands() (in module httk.core) (in module httk.core.register) 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_providers() (in module httk.core) (in module httk.core.register) known_extensions() (in module httk.core.register) known_filenames() (in module httk.core.register) known_format_adapters() (in module httk.core) (in module httk.core.register) known_leaf_codecs() (in module httk.core) (in module httk.core.vectors) (in module httk.core.vectors.leaf_codecs) known_project_show_sections() (in module httk.core.project.cli) known_project_subcommands() (in module httk.core.project.cli) known_unknown_handler() (in module httk.data.optimade_query) (in module httk.optimade.backend.handlers) known_value_codecs() (in module httk.data.db) (in module httk.data.db.codecs) KNOWN_VERSIONS (in module httk.workflow.compat.pwd) KPOINT_CENTERINGS (in module httk.workflow.vasp) kpoint_density (httk.workflow.vasp.VaspPreparationOptions attribute)

L

label (httk.workflow.ChildResult attribute) (httk.workflow.sdk.ChildResult attribute) labels (httk.workflow.ChildrenView property) (httk.workflow.sdk.ChildrenView property) last_modified (httk.core.Calculation 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.Reference attribute) last_oszicar_energy() (in module httk.workflow.vasp) last_vasprun_volume() (in module httk.workflow.vasp) lattice (httk.workflow.vasp.PoscarHeader attribute) lattice_cosets() (httk.atomistic.setting_transform.SettingTransform method) (httk.atomistic.SettingTransform method) ldexp() (in module httk.core.vectors.vectormath) leaf_codec_for_name() (in module httk.core.vectors.leaf_codecs) LeafCodec (class in httk.core) (class in httk.core.vectors) (class in httk.core.vectors.leaf_codecs) lease_seconds (httk.workflow.protocol.StateFrame property) (httk.workflow.protocol.WorkspacePolicy attribute) (httk.workflow.TaskManager attribute) legacy_priority() (in module httk.workflow.compat.v1) LEGACY_TEMPLATE_SUFFIXES (in module httk.web.templating.httk_compat) length (httk.optimade.backend.partial.PartialDimension attribute) (httk.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.cell.Cell property) (httk.atomistic.numeric_cell.NumericCell property) (httk.atomistic.NumericCell property) lengthsqr() (httk.core.FracVector method) (httk.core.SurdVector method) (httk.core.vectors.FracVector method) (httk.core.vectors.fracvector.FracVector method) (httk.core.vectors.SurdVector method) (httk.core.vectors.surdvector.SurdVector method) letter (httk.atomistic.wyckoff.WyckoffPosition property) (httk.atomistic.WyckoffPosition property) lgamma() (in module httk.core.vectors.vectormath) library (httk.workflow.vasp.PotcarAssembly attribute) license (httk.optimade.model.config.OptimadeConfig attribute) (httk.optimade.model.OptimadeConfig attribute) (httk.optimade.OptimadeConfig attribute) limit (httk.optimade.backend.execution.StoreResults attribute) (httk.optimade.backend.StoreResults attribute) limit_denominator() (httk.core.FracVector method) (httk.core.vectors.FracVector method) (httk.core.vectors.fracvector.FracVector method)

line (httk.core.optimade_filter.parser.ParserSyntaxError attribute) (httk.core.optimade_filter.ParserSyntaxError attribute) (httk.core.ParserSyntaxError attribute) (httk.optimade.filter.ParserSyntaxError attribute) (httk.optimade.ParserSyntaxError attribute) (httk.workflow.supervision.SourceEvent attribute) linestr (httk.core.optimade_filter.parser.ParserSyntaxError attribute) (httk.core.optimade_filter.ParserSyntaxError attribute) (httk.core.ParserSyntaxError attribute) (httk.optimade.filter.ParserSyntaxError attribute) (httk.optimade.ParserSyntaxError attribute) links (httk.core.storage_markers.StorageInfo attribute) (httk.core.StorageInfo attribute) (httk.data.db.schema.TableSchema attribute) (httk.data.db.TableSchema attribute) (httk.optimade.model.config.OptimadeConfig attribute) (httk.optimade.model.OptimadeConfig attribute) (httk.optimade.OptimadeConfig attribute) list_remotes() (in module httk.workflow.adapters) load() (in module httk.core) (in module httk.core.loading) load_asu_structure() (in module httk.atomistic) (in module httk.atomistic.vasp_structures) load_cwl_inputs() (in module httk.workflow.compat.cwl) load_cwl_plan() (in module httk.workflow.compat.cwl) load_entry_type_definition() (in module httk.core) (in module httk.core.property_definitions) load_httk_definitions() (in module httk.atomistic.httk_definitions) load_job() (httk.workflow.compat.cwl.Workspace method) (httk.workflow.compat.pwd.Workspace method) (httk.workflow.Workspace method) load_pwd_document() (in module httk.workflow.compat.pwd) load_structure() (in module httk.atomistic) (in module httk.atomistic.vasp_structures) load_versioning_config() (in module httk.core.docs) (in module httk.core.docs.config) loader_filenames (in module httk.core.register) loaders (in module httk.core.register) local (httk.workflow.manifests.MaintenanceLock property) 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_compression (httk.workflow.compat.v1.V1RunnerBackend attribute) logger (in module httk.optimade.engine.processing)

M

mag_asus_from_mcif_file() (in module httk.io.cif) (in module httk.io.cif.mcif_parser) magics (httk.core.CompressionCodec attribute) (httk.core.datastream.compression.CompressionCodec attribute) (httk.core.datastream.CompressionCodec attribute) main() (httk.workflow.Runner method) (httk.workflow.sdk.Runner method) (in module httk.core.cli) (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) 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.workflow.manifests.ManifestVerification attribute) manifest_format (httk.workflow.manifests.ManifestVerification attribute) ManifestVerification (class in httk.workflow.manifests) MarkdownRenderer (class in httk.web.renderers) (class in httk.web.renderers.markdown) Marker (class in httk.workflow.protocol) marker (httk.workflow.backends.AttemptLaunch attribute) (httk.workflow.backends.OutcomeCommit attribute) (httk.workflow.compat.cwl.ScaffoldedJob attribute) (httk.workflow.compat.pwd.ScaffoldedJob attribute) (httk.workflow.scaffold.ScaffoldedJob attribute) (httk.workflow.ScaffoldedJob attribute) marker_basename() (in module httk.workflow.protocol) marker_changed() (httk.workflow.backends.PathRunnerBackend method) (httk.workflow.backends.RunnerBackend method) (httk.workflow.compat.v1.V1RunnerBackend method) marker_path() (httk.workflow.compat.cwl.Workspace method) (httk.workflow.compat.pwd.Workspace method) (httk.workflow.Workspace method) MarkerFault (class in httk.workflow.protocol) mass (httk.atomistic.Species attribute) (httk.atomistic.species.Species attribute) (httk.atomistic.species_api.SpeciesAPI property) (httk.atomistic.species_class.SpeciesClass property) (httk.atomistic.species_primitive.SpeciesPrimitive property) (httk.atomistic.SpeciesAPI property) (httk.atomistic.SpeciesClass property) (httk.atomistic.SpeciesPrimitive property) (httk.atomistic.SpeciesRecord attribute) (httk.atomistic.structure_record.SpeciesRecord attribute) mass_present (httk.atomistic.SpeciesRecord attribute) (httk.atomistic.structure_record.SpeciesRecord attribute) matrix (httk.atomistic.affine_operation.AffineOperation property) (httk.atomistic.AffineOperation property) (httk.atomistic.setting_transform.SettingTransform property) (httk.atomistic.SettingTransform property) max() (httk.core.FracVector method) (httk.core.vectors.FracVector method) (httk.core.vectors.fracvector.FracVector method) MAX_POST_BODY_BYTES (in module httk.web.runtime.asgi) 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_INPUTS_BYTES (in module httk.workflow.compat.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) members (httk.workflow.protocol.StateFrame attribute) MemoryExpression (class in httk.optimade.backend.memory_store) MemoryField (class in httk.optimade.backend.memory_store) MemorySearcher (class in httk.optimade.backend.memory_store) MemoryVariable (class in httk.optimade.backend.memory_store) merge() (httk.workflow.JobState method) message (httk.data.PropertyValidationError attribute) (httk.data.validation.PropertyValidationError attribute) (httk.workflow.hygiene.Finding attribute) (httk.workflow.protocol.Failure attribute) meta (httk.core.DataLoader property) (httk.core.dataloader.DataLoader property) metadata (httk.web.model.page.PageResult attribute) (httk.web.model.PageResult attribute) (httk.web.renderers.base.RenderResult attribute) (httk.web.renderers.RenderResult 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) method (httk.web.model.HttpRequestContext attribute) (httk.web.model.request.HttpRequestContext attribute) metric() (httk.atomistic.Cell method) (httk.atomistic.cell.Cell method) (httk.atomistic.numeric_cell.NumericCell method) (httk.atomistic.NumericCell method) metric_product() (httk.core.FracVector method) (httk.core.vectors.FracVector method) (httk.core.vectors.fracvector.FracVector method) min() (httk.core.FracVector method) (httk.core.vectors.FracVector method) (httk.core.vectors.fracvector.FracVector method) minor (httk.core.docs.semver.Version attribute) (httk.core.docs.Version attribute) modf() (httk.core.FracVector method) (httk.core.vectors.FracVector method) (httk.core.vectors.fracvector.FracVector method) (in module httk.core.vectors.vectormath) modification_timestamp (httk.core.entry_types.File attribute) (httk.core.File attribute) module httk.atomistic httk.atomistic.affine_operation httk.atomistic.ase_atoms_view httk.atomistic.asu_recognition httk.atomistic.asu_structure httk.atomistic.asu_structure_view httk.atomistic.cell httk.atomistic.cell_api httk.atomistic.cell_backend httk.atomistic.cell_class httk.atomistic.cell_class_view httk.atomistic.cell_like httk.atomistic.cell_numeric_view httk.atomistic.cell_params httk.atomistic.cell_params_view httk.atomistic.cell_primitive httk.atomistic.cell_primitive_view httk.atomistic.cell_view httk.atomistic.cif_structures httk.atomistic.compat httk.atomistic.data httk.atomistic.elements httk.atomistic.httk_definitions httk.atomistic.numeric_cell httk.atomistic.numeric_sites httk.atomistic.numeric_unitcell_structure_backend httk.atomistic.numeric_unitcell_structure_view httk.atomistic.phase_diagram httk.atomistic.precision_entries httk.atomistic.setting_transform httk.atomistic.sites httk.atomistic.sites_api httk.atomistic.sites_backend httk.atomistic.sites_class httk.atomistic.sites_class_view httk.atomistic.sites_like httk.atomistic.sites_numeric_view httk.atomistic.sites_primitive httk.atomistic.sites_primitive_view httk.atomistic.sites_view httk.atomistic.spacegroup httk.atomistic.species httk.atomistic.species_api httk.atomistic.species_backend httk.atomistic.species_class httk.atomistic.species_class_view httk.atomistic.species_like httk.atomistic.species_primitive httk.atomistic.species_primitive_view httk.atomistic.species_view httk.atomistic.standardization httk.atomistic.structure httk.atomistic.structure_api httk.atomistic.structure_asu httk.atomistic.structure_backend httk.atomistic.structure_comparison httk.atomistic.structure_entries httk.atomistic.structure_like httk.atomistic.structure_primitive httk.atomistic.structure_primitive_view httk.atomistic.structure_record httk.atomistic.structure_record_backend httk.atomistic.structure_view httk.atomistic.supercell httk.atomistic.symmetry_entries httk.atomistic.unitcell_structure_backend httk.atomistic.unitcell_structure_view httk.atomistic.vasp_structures httk.atomistic.wyckoff httk.core httk.core.cli httk.core.cli_context httk.core.dataloader 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.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.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.ed25519 httk.core.entry_provider httk.core.entry_types httk.core.exactmath httk.core.loading httk.core.optimade_filter httk.core.optimade_filter.parser httk.core.precision httk.core.project httk.core.project.anchor httk.core.project.cli httk.core.property_definitions httk.core.register httk.core.storage_markers 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 httk.core.vectors.vector_frac_view httk.core.vectors.vector_like httk.core.vectors.vector_native httk.core.vectors.vector_native_view httk.core.vectors.vector_numpy httk.core.vectors.vector_numpy_view httk.core.vectors.vector_surd 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.unwrapping httk.core.views.view httk.data httk.data.db httk.data.db.codecs httk.data.db.engine httk.data.db.entry_provider httk.data.db.identity httk.data.db.mapping httk.data.db.optimade httk.data.db.schema httk.data.db.searcher httk.data.db.store httk.data.entry_providers httk.data.optimade_query httk.data.query httk.data.validation httk.handlers.atomistic httk.handlers.core httk.handlers.data httk.handlers.io httk.handlers.workflow httk.io httk.io.cif httk.io.cif.cif_parser httk.io.cif.cif_reader httk.io.cif.cif_writer httk.io.cif.mcif_parser httk.io.cif.symops_utils httk.io.vasp httk.io.vasp.poscar_reader httk.optimade httk.optimade.api httk.optimade.backend httk.optimade.backend.adapter httk.optimade.backend.execution httk.optimade.backend.handlers httk.optimade.backend.memory_store httk.optimade.backend.partial httk.optimade.backend.protocols httk.optimade.backend.providers httk.optimade.backend.translation httk.optimade.endpoints httk.optimade.endpoints.entries httk.optimade.endpoints.error httk.optimade.endpoints.info httk.optimade.endpoints.meta httk.optimade.endpoints.partial_data httk.optimade.engine httk.optimade.engine.processing httk.optimade.engine.validate httk.optimade.filter httk.optimade.model httk.optimade.model.config httk.optimade.model.errors httk.optimade.model.request httk.optimade.model.results httk.optimade.model.versions httk.optimade.runtime httk.optimade.runtime.asgi httk.optimade.runtime.devserver httk.optimade.schema httk.optimade.schema.served httk.optimade.schema.trajectories httk.web httk.web.api httk.web.compat httk.web.engine httk.web.engine.discovery httk.web.engine.site_engine httk.web.functions httk.web.functions.python_module httk.web.model httk.web.model.config httk.web.model.errors httk.web.model.page httk.web.model.request httk.web.publishing httk.web.publishing.static httk.web.renderers httk.web.renderers.base httk.web.renderers.html httk.web.renderers.httkweb_compat httk.web.renderers.markdown httk.web.renderers.rst httk.web.runtime httk.web.runtime.asgi httk.web.runtime.devserver httk.web.templating httk.web.templating.base httk.web.templating.httk_compat httk.web.templating.jinja2_engine httk.workflow httk.workflow.adapter_protocol httk.workflow.adapters httk.workflow.backends httk.workflow.compat httk.workflow.compat.cwl httk.workflow.compat.pwd httk.workflow.compat.v1 httk.workflow.configuration httk.workflow.errors httk.workflow.harvesting httk.workflow.hygiene httk.workflow.manifests httk.workflow.projects httk.workflow.protocol 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.harvesting) monitors (httk.workflow.supervision.ProcessSupervisor attribute) month (httk.core.entry_types.Reference attribute) (httk.core.Reference attribute) more_data_available (httk.optimade.backend.execution.StoreResults attribute) (httk.optimade.backend.protocols.QueryResults attribute) (httk.optimade.backend.QueryResults attribute) (httk.optimade.backend.StoreResults attribute) (httk.optimade.model.QueryResults attribute) (httk.optimade.model.results.QueryResults attribute) mtime (httk.core.entry_types.File attribute) (httk.core.File attribute) mul() (httk.core.FracVector method) (httk.core.vectors.FracVector method) (httk.core.vectors.fracvector.FracVector method) multiplicities() (httk.atomistic.asu_structure.ASUStructure method) (httk.atomistic.ASUStructure method) multiplicity (httk.atomistic.wyckoff.WyckoffPosition property) (httk.atomistic.WyckoffPosition property) multiplier (httk.atomistic.ConventionalCellResult attribute) (httk.atomistic.standardization.ConventionalCellResult attribute) (httk.atomistic.supercell.SupercellResult attribute) (httk.atomistic.SupercellResult attribute) MutableFracVector (class in httk.core) (class in httk.core.vectors) (class in httk.core.vectors.mutablefracvector)

N

name (httk.atomistic.Species attribute) (httk.atomistic.species.Species attribute) (httk.atomistic.species_api.SpeciesAPI property) (httk.atomistic.species_class.SpeciesClass property) (httk.atomistic.species_primitive.SpeciesPrimitive property) (httk.atomistic.SpeciesAPI property) (httk.atomistic.SpeciesClass property) (httk.atomistic.SpeciesPrimitive property) (httk.atomistic.SpeciesRecord attribute) (httk.atomistic.structure_record.SpeciesRecord attribute) (httk.core.BytestreamBytes property) (httk.core.BytestreamFile property) (httk.core.BytestreamFilename property) (httk.core.BytestreamFileView property) (httk.core.BytestreamRequest property) (httk.core.BytestreamURL property) (httk.core.CompressionCodec 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.LeafCodec attribute) (httk.core.property_definitions.EntryTypeDefinition property) (httk.core.property_definitions.PropertyDefinition property) (httk.core.PropertyDefinition property) (httk.core.register.CLICommand attribute) (httk.core.TextstreamFile property) (httk.core.TextstreamFilename property) (httk.core.TextstreamFileView property) (httk.core.TextstreamRequest property) (httk.core.TextstreamString property) (httk.core.TextstreamURL property) (httk.core.vectors.leaf_codecs.LeafCodec attribute) (httk.core.vectors.LeafCodec attribute) (httk.data.db.codecs.ValueCodec attribute) (httk.data.db.ColumnSpec attribute) (httk.data.db.schema.ColumnSpec attribute) (httk.data.db.ValueCodec attribute) (httk.data.PropertyValidationError attribute) (httk.data.validation.PropertyValidationError attribute) (httk.optimade.backend.memory_store.MemoryField attribute) (httk.optimade.backend.partial.PartialDimension attribute) (httk.optimade.backend.PartialDimension attribute) (httk.workflow.adapters.RemoteTarget attribute) (httk.workflow.backends.PathRunnerBackend attribute) (httk.workflow.backends.RunnerBackend attribute) (httk.workflow.ChildSpec attribute) (httk.workflow.compat.v1.V1RunnerBackend attribute) (httk.workflow.configuration.ConfigKey attribute) (httk.workflow.protocol.JobDefinition attribute) (httk.workflow.protocol.JobSpec attribute) (httk.workflow.scaffold.JobItem attribute) (httk.workflow.scaffold.JobTemplate attribute) (httk.workflow.scaffold.TemplateProvider attribute) (httk.workflow.sdk.ChildSpec attribute) (httk.workflow.supervision.FollowSource attribute) (httk.workflow.vasp.RemedyPolicy attribute) names (httk.data.query.SearchResult attribute) (httk.data.SearchResult attribute) (httk.optimade.backend.protocols.SearchResult attribute) (httk.optimade.backend.SearchResult attribute) nargmax() (httk.core.FracVector method) (httk.core.vectors.FracVector method) (httk.core.vectors.fracvector.FracVector method) nargmin() (httk.core.FracVector method) (httk.core.vectors.FracVector method) (httk.core.vectors.fracvector.FracVector method) native (httk.core.VectorNative property) (httk.core.vectors.vector_native.VectorNative property) (httk.core.vectors.VectorNative property)

nattached (httk.atomistic.Species attribute) (httk.atomistic.species.Species attribute) (httk.atomistic.species_api.SpeciesAPI property) (httk.atomistic.species_class.SpeciesClass property) (httk.atomistic.species_primitive.SpeciesPrimitive property) (httk.atomistic.SpeciesAPI property) (httk.atomistic.SpeciesClass property) (httk.atomistic.SpeciesPrimitive property) (httk.atomistic.SpeciesRecord attribute) (httk.atomistic.structure_record.SpeciesRecord attribute) nearest_parameters() (httk.atomistic.wyckoff.WyckoffBranch method) (httk.atomistic.WyckoffBranch method) nested_inmap (httk.core.MutableFracVector attribute) (httk.core.vectors.MutableFracVector attribute) (httk.core.vectors.mutablefracvector.MutableFracVector attribute) nested_map (httk.core.FracVector attribute) (httk.core.MutableFracVector attribute) (httk.core.vectors.FracVector attribute) (httk.core.vectors.fracvector.FracVector attribute) (httk.core.vectors.MutableFracVector attribute) (httk.core.vectors.mutablefracvector.MutableFracVector attribute) nested_map_fractions (httk.core.FracVector attribute) (httk.core.MutableFracVector attribute) (httk.core.vectors.FracVector attribute) (httk.core.vectors.fracvector.FracVector attribute) (httk.core.vectors.MutableFracVector attribute) (httk.core.vectors.mutablefracvector.MutableFracVector attribute) 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_step (httk.workflow.protocol.StateFrame property) nodes (httk.workflow.compat.pwd.PwdDocument attribute) nom (httk.core.FracVector property) (httk.core.vectors.FracVector property) (httk.core.vectors.fracvector.FracVector property) noms (httk.core.FracScalar attribute) (httk.core.FracVector attribute) (httk.core.MutableFracVector attribute) (httk.core.vectors.FracScalar attribute) (httk.core.vectors.FracVector attribute) (httk.core.vectors.fracvector.FracScalar attribute) (httk.core.vectors.fracvector.FracVector attribute) (httk.core.vectors.MutableFracVector attribute) (httk.core.vectors.mutablefracvector.MutableFracVector attribute) Noms (in module httk.core.vectors.fracvector) normalize() (httk.core.FracVector method) (httk.core.vectors.FracVector method) (httk.core.vectors.fracvector.FracVector method) normalize_half() (httk.core.FracVector method) (httk.core.vectors.FracVector method) (httk.core.vectors.fracvector.FracVector method) normalize_handedness (httk.workflow.vasp.VaspPreparationOptions attribute) normalize_placement() (in module httk.workflow.protocol) normalize_poscar_handedness() (in module httk.workflow.vasp) normalize_route() (in module httk.web.engine.discovery) note (httk.core.entry_types.Reference attribute) (httk.core.Reference attribute) NotFoundError, [1] nperiodic_dimensions (httk.atomistic.Cell property) (httk.atomistic.cell.Cell property) (httk.atomistic.numeric_cell.NumericCell property) (httk.atomistic.NumericCell property) (httk.atomistic.Structure property) (httk.atomistic.structure.Structure property) nullable (httk.core.property_definitions.PropertyDefinition property) (httk.core.PropertyDefinition property) (httk.data.db.ColumnSpec attribute) (httk.data.db.schema.ColumnSpec attribute) number (httk.core.entry_types.Reference attribute) (httk.core.Reference attribute) number_handler() (in module httk.data.optimade_query) (in module httk.optimade.backend.handlers) numeric() (httk.atomistic.Cell method) (httk.atomistic.cell.Cell method) (httk.atomistic.Sites method) (httk.atomistic.sites.Sites method) (httk.atomistic.Structure method) (httk.atomistic.structure.Structure method) NumericCell (class in httk.atomistic) (class in httk.atomistic.numeric_cell) NumericSites (class in httk.atomistic) (class in httk.atomistic.numeric_sites) NumericUnitcellStructureBackend (class in httk.atomistic) (class in httk.atomistic.numeric_unitcell_structure_backend) NumericUnitcellStructureView (class in httk.atomistic) (class in httk.atomistic.numeric_unitcell_structure_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

of() (httk.workflow.protocol.StateFrame class method) offer_transfers() (in module httk.workflow.transfers) offset (httk.data.db.searcher.SqlSearcher attribute) (httk.data.query.Searcher attribute) (httk.data.Searcher attribute) (httk.optimade.backend.execution.StoreResults attribute) (httk.optimade.backend.memory_store.MemorySearcher attribute) (httk.optimade.backend.protocols.Searcher attribute) (httk.optimade.backend.Searcher attribute) (httk.optimade.backend.StoreResults attribute) (httk.workflow.protocol.JournalFrame attribute) ok (httk.workflow.protocol.RecordVerification property) one() (httk.core.SurdVector class method) (httk.core.vectors.SurdVector class method) (httk.core.vectors.surdvector.SurdVector class method) open_compressed() (in module httk.core.datastream.compression) open_journal_writer() (httk.workflow.compat.cwl.Workspace method) (httk.workflow.compat.pwd.Workspace method) (httk.workflow.Workspace method) open_stream (httk.core.CompressionCodec attribute) (httk.core.datastream.compression.CompressionCodec attribute) (httk.core.datastream.CompressionCodec attribute) operation (httk.atomistic.setting_transform.SettingTransform property) (httk.atomistic.SettingTransform property) (httk.atomistic.wyckoff.WyckoffBranch property) (httk.atomistic.WyckoffBranch property) operator_key (httk.workflow.configuration.DocumentSignature attribute) optimade_default_version (in module httk.optimade.model) (in module httk.optimade.model.versions) optimade_filter_searcher() (in module httk.data.db.optimade) optimade_parse_tree_to_ojf() (in module httk.core.optimade_filter) optimade_supported_versions (in module httk.optimade.model) (in module httk.optimade.model.versions) optimade_type (httk.core.property_definitions.PropertyDefinition property) (httk.core.PropertyDefinition property) OptimadeConfig (class in httk.optimade) (class in httk.optimade.model) (class in httk.optimade.model.config)

OptimadeError, [1], [2] optional (httk.data.db.FieldSpec attribute) (httk.data.db.schema.FieldSpec attribute) order (httk.workflow.compat.pwd.PwdDocument attribute) organization (httk.core.entry_types.Reference attribute) (httk.core.Reference attribute) original_name (httk.atomistic.Species attribute) (httk.atomistic.species.Species attribute) (httk.atomistic.species_api.SpeciesAPI property) (httk.atomistic.species_class.SpeciesClass property) (httk.atomistic.species_primitive.SpeciesPrimitive property) (httk.atomistic.SpeciesAPI property) (httk.atomistic.SpeciesClass property) (httk.atomistic.SpeciesPrimitive property) (httk.atomistic.SpeciesRecord attribute) (httk.atomistic.structure_record.SpeciesRecord attribute) orthogonal_supercell() (httk.atomistic.Structure method) (httk.atomistic.structure.Structure method) (in module httk.atomistic) (in module httk.atomistic.supercell) orthogonality_score (httk.atomistic.supercell.SupercellResult attribute) (httk.atomistic.SupercellResult attribute) outcar_plane_wave_count() (in module httk.workflow.vasp) outcar_potim() (in module httk.workflow.vasp) outcome (httk.workflow.backends.OutcomeCommit attribute) outcome_path (httk.workflow.backends.OutcomeCommit attribute) OutcomeAction (in module httk.workflow.protocol) OutcomeCommit (class in httk.workflow.backends) OutcomeDraft (class in httk.workflow.protocol) output() (httk.data.db.searcher.SqlSearcher method) (httk.data.query.Searcher method) (httk.data.Searcher method) (httk.optimade.backend.memory_store.MemorySearcher method) (httk.optimade.backend.protocols.Searcher method) (httk.optimade.backend.Searcher method) output_names (httk.workflow.compat.pwd.PwdDocument property)

P

PACKAGE (in module httk.workflow.compat.cwl) (in module httk.workflow.compat.pwd) packaged (httk.workflow.scaffold.JobTemplate attribute) packaged_template() (in module httk.workflow.scaffold) page_limit (httk.optimade.model.request.ValidatedParameters attribute) (httk.optimade.model.ValidatedParameters attribute) (httk.optimade.ValidatedParameters attribute) PAGE_LIMIT_MAX (in module httk.optimade.engine.validate) page_offset (httk.optimade.model.request.ValidatedParameters attribute) (httk.optimade.model.ValidatedParameters attribute) (httk.optimade.ValidatedParameters attribute) PageResult (class in httk.web.model) (class in httk.web.model.page) pages (httk.core.entry_types.Reference attribute) (httk.core.Reference attribute) pairs (httk.optimade.backend.execution.StoreResults attribute) (httk.optimade.backend.StoreResults attribute) parallel_tag (httk.workflow.vasp.VaspPreparationOptions attribute) parallel_value (httk.workflow.vasp.VaspPreparationOptions attribute) parameters_of() (httk.atomistic.wyckoff.WyckoffBranch method) (httk.atomistic.wyckoff.WyckoffPosition method) (httk.atomistic.WyckoffBranch method) (httk.atomistic.WyckoffPosition method) params (httk.atomistic.cell_params.CellParams property) (httk.atomistic.CellParams property) parent (httk.workflow.protocol.JobDefinition attribute) parse_alg_op() (in module httk.io.cif.mcif_parser) parse_asu_cell() (in module httk.io.cif.cif_parser) parse_cif_float() (in module httk.io.cif.cif_parser) parse_cif_int() (in module httk.io.cif.cif_parser) parse_job_key() (in module httk.workflow.protocol) parse_linear_expr() (in module httk.io.cif.cif_parser) parse_optimade_filter() (in module httk.core) (in module httk.core.optimade_filter) (in module httk.core.optimade_filter.parser) (in module httk.optimade) (in module httk.optimade.filter) parse_optimade_filter_raw() (in module httk.core.optimade_filter) (in module httk.core.optimade_filter.parser) (in module httk.optimade.filter) parse_package_runner() (in module httk.workflow.protocol) 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_structural_modulation() (in module httk.io.cif.cif_parser) parse_tag() (in module httk.core.docs) (in module httk.core.docs.semver) parse_v1_task_name() (in module httk.workflow.compat.v1) parse_version() (in module httk.core.docs) (in module httk.core.docs.semver) parse_xyz_op() (in module httk.io.cif.cif_parser) ParserBuilder (in module httk.core.project.cli) ParserError, [1], [2], [3], [4] ParserGrammarError ParserInternalError ParserSyntaxError, [1], [2], [3], [4] partial_data_chunk_size (httk.optimade.model.config.OptimadeConfig attribute) (httk.optimade.model.OptimadeConfig attribute) (httk.optimade.OptimadeConfig attribute) partial_data_offset (httk.optimade.model.request.ValidatedRequest attribute) (httk.optimade.model.ValidatedRequest attribute) (httk.optimade.ValidatedRequest attribute) partial_data_parts (httk.optimade.model.request.ValidatedRequest attribute) (httk.optimade.model.ValidatedRequest attribute) (httk.optimade.ValidatedRequest attribute) PartialDimension (class in httk.optimade.backend) (class in httk.optimade.backend.partial) PartialValue (class in httk.optimade.backend) (class in httk.optimade.backend.partial) patch (httk.core.docs.semver.Version attribute) (httk.core.docs.Version attribute) path (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) PathRunnerBackend (class in httk.workflow.backends) pause (httk.workflow.protocol.StateFrame property) pause() (httk.workflow.Attempt method) (httk.workflow.sdk.Attempt method) payload (httk.workflow.Attempt attribute) (httk.workflow.backends.AttemptLaunch attribute) (httk.workflow.backends.OutcomeCommit attribute) (httk.workflow.ChildResult attribute) (httk.workflow.compat.cwl.ScaffoldedJob attribute) (httk.workflow.compat.pwd.ScaffoldedJob attribute) (httk.workflow.harvesting.HarvestRecord property) (httk.workflow.HarvestRecord property) (httk.workflow.scaffold.ScaffoldedJob attribute) (httk.workflow.ScaffoldedJob attribute) (httk.workflow.sdk.Attempt attribute) (httk.workflow.sdk.ChildResult attribute) payload_digest() (httk.workflow.compat.cwl.Workspace method) (httk.workflow.compat.pwd.Workspace method) (httk.workflow.Workspace method) payload_path (httk.workflow.harvesting.HarvestRecord attribute) (httk.workflow.HarvestRecord attribute) payload_path() (httk.workflow.compat.cwl.Workspace method) (httk.workflow.compat.pwd.Workspace method) (httk.workflow.Workspace method) payload_relative() (in module httk.workflow.scaffold) periodic_measure (httk.atomistic.Cell property) (httk.atomistic.cell.Cell property) periodicity (httk.atomistic.Cell property) (httk.atomistic.cell.Cell property) (httk.atomistic.cell_api.CellAPI property) (httk.atomistic.cell_class.CellClass property) (httk.atomistic.CellAPI property) (httk.atomistic.CellClass property) (httk.atomistic.numeric_cell.NumericCell property) (httk.atomistic.NumericCell property) (httk.atomistic.Structure property) (httk.atomistic.structure.Structure property) (httk.atomistic.structure_record.StructureRecord attribute) (httk.atomistic.StructureRecord attribute) PERSISTABLE_QUEUE_SETTINGS (in module httk.workflow.adapters) phase_lines (httk.atomistic.phase_diagram.PhaseDiagram property) (httk.atomistic.PhaseDiagram property) PhaseDiagram (class in httk.atomistic) (class in httk.atomistic.phase_diagram) pi() (httk.core.FracVector class method) (httk.core.vectors.FracVector class method) (httk.core.vectors.fracvector.FracVector 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) placement (httk.workflow.ChildResult attribute) (httk.workflow.compat.cwl.ScaffoldedJob attribute) (httk.workflow.compat.pwd.ScaffoldedJob attribute) (httk.workflow.harvesting.HarvestRecord attribute) (httk.workflow.HarvestRecord 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_hint (httk.workflow.protocol.ChildReference attribute) placement_prefixes (httk.workflow.TaskManager attribute) plan_vasp_remedy() (in module httk.workflow.vasp) plot() (httk.atomistic.phase_diagram.PhaseDiagram method) (httk.atomistic.PhaseDiagram method) point_groups() (in module httk.atomistic.data)

policy (httk.workflow.compat.cwl.Workspace property) (httk.workflow.compat.pwd.Workspace property) (httk.workflow.vasp.VaspRemedyDecision attribute) (httk.workflow.Workspace property) pools (httk.workflow.TaskManager attribute) pos (httk.core.optimade_filter.parser.ParserSyntaxError attribute) (httk.core.optimade_filter.ParserSyntaxError attribute) (httk.core.ParserSyntaxError attribute) (httk.optimade.filter.ParserSyntaxError attribute) (httk.optimade.ParserSyntaxError attribute) PoscarHeader (class in httk.workflow.vasp) post (httk.data.db.searcher.SqlExpression attribute) postvars (httk.web.model.HttpRequestContext attribute) (httk.web.model.request.HttpRequestContext attribute) potcar_summary() (in module httk.workflow.vasp) 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.Cell property) (httk.atomistic.cell.Cell property) (httk.atomistic.cell_api.CellAPI property) (httk.atomistic.cell_class.CellClass property) (httk.atomistic.CellAPI property) (httk.atomistic.CellClass property) (httk.atomistic.numeric_cell.NumericCell property) (httk.atomistic.numeric_sites.NumericSites property) (httk.atomistic.NumericCell property) (httk.atomistic.NumericSites property) (httk.atomistic.Sites property) (httk.atomistic.sites.Sites property) (httk.atomistic.sites_api.SitesAPI property) (httk.atomistic.sites_class.SitesClass property) (httk.atomistic.SitesAPI property) (httk.atomistic.SitesClass property) (httk.io.cif.cif_parser.CifMeta attribute) precision_definitions() (in module httk.atomistic) (in module httk.atomistic.precision_entries) precision_properties() (in module httk.atomistic) (in module httk.atomistic.precision_entries) PRECISION_PROPERTY_KEYS (in module httk.atomistic.precision_entries) predicate (httk.optimade.backend.memory_store.MemoryExpression attribute) Predicate (in module httk.optimade.backend.memory_store) prepare_job_payload() (in module httk.workflow.protocol) prepare_v1_payload() (in module httk.workflow.compat.v1) prepare_vasp_inputs() (in module httk.workflow.vasp) present (httk.workflow.configuration.DocumentSignature attribute) previous_attempt_id (httk.workflow.protocol.AttemptContext attribute) (httk.workflow.protocol.StateFrame property) (httk.workflow.runtime.AttemptContext 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) problem (httk.workflow.protocol.RecordVerification attribute) (httk.workflow.vasp.VaspRemedyDecision attribute) process (httk.workflow.vasp.VaspRunReport attribute) process() (in module httk.optimade) (in module httk.optimade.engine) (in module httk.optimade.engine.processing) process_init() (in module httk.optimade) (in module httk.optimade.engine) (in module httk.optimade.engine.processing) ProcessReport (class in httk.workflow.supervision) ProcessSupervisor (class in httk.workflow.supervision) program (httk.core.cli_context.CLIContext attribute) (httk.core.CLIContext attribute) PROJECT_DESCRIPTION_FORMAT (in module httk.workflow.hygiene) PROJECT_DIRECTORY (in module httk.core.project) (in module httk.core.project.anchor) (in module httk.workflow.projects) project_doctor() (in module httk.workflow.hygiene) project_exclusions() (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_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) ProjectShowSection (class in httk.core.project.cli) properties (httk.core.EntryTypeDefinition property) (httk.core.property_definitions.EntryTypeDefinition property) properties_by_entry (httk.optimade.schema.served.ServedSchema attribute) PROPERTY_DEFINITION_META_SCHEMA (in module httk.core.property_definitions) property_definitions (httk.optimade.schema.served.ServedSchema attribute) property_keys() (httk.atomistic.structure_entries.StructureEntryProvider method) (httk.atomistic.StructureEntryProvider method) (httk.core.entry_provider.EntryProvider method) (httk.core.EntryProvider method) (httk.data.CalculationEntryProvider method) (httk.data.db.entry_provider.StoreEntryProvider method) (httk.data.entry_providers.CalculationEntryProvider method) (httk.data.entry_providers.FileEntryProvider method) (httk.data.entry_providers.ReferenceEntryProvider method) (httk.data.FileEntryProvider method) (httk.data.ReferenceEntryProvider method) property_metadata (httk.optimade.backend.adapter.EntrySource attribute) (httk.optimade.backend.EntrySource attribute) (httk.optimade.EntrySource attribute) (httk.optimade.model.ResultRow attribute) (httk.optimade.model.results.ResultRow attribute) property_metadata_requested (httk.optimade.model.request.ValidatedRequest attribute) (httk.optimade.model.ValidatedRequest attribute) (httk.optimade.ValidatedRequest attribute) PropertyDefinition (class in httk.core) (class in httk.core.property_definitions) PropertyValidationError, [1] provenance (httk.workflow.harvesting.HarvestRecord attribute) (httk.workflow.HarvestRecord attribute) (httk.workflow.vasp.PotcarAssembly attribute) provider (httk.optimade.model.config.OptimadeConfig attribute) (httk.optimade.model.OptimadeConfig attribute) (httk.optimade.OptimadeConfig attribute) providers_from_registry() (in module httk.optimade) (in module httk.optimade.backend) (in module httk.optimade.backend.providers) pseudopotential_library (httk.workflow.vasp.VaspPreparationOptions attribute) public_key (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.web) (in module httk.web.api) publish_request() (httk.workflow.compat.cwl.Workspace method) (httk.workflow.compat.pwd.Workspace method) (httk.workflow.Workspace method) publish_runner() (httk.workflow.compat.cwl.Workspace method) (httk.workflow.compat.pwd.Workspace method) (httk.workflow.Workspace method) publish_site() (in module httk.web.publishing) (in module httk.web.publishing.static) publish_use_urls_without_ext (httk.web.model.config.SiteConfig attribute) (httk.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) PublishReport (class in httk.web.model) (class in httk.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.compat.pwd) PwdFormatError python_type (httk.data.db.codecs.ValueCodec attribute) (httk.data.db.FieldSpec attribute) (httk.data.db.schema.FieldSpec attribute) (httk.data.db.ValueCodec attribute) PythonFunctionHandler (class in httk.web.functions) (class in httk.web.functions.python_module)

Q

quarantine() (httk.workflow.compat.cwl.Workspace method) (httk.workflow.compat.pwd.Workspace method) (httk.workflow.Workspace method) query (httk.optimade.model.RawRequest attribute) (httk.optimade.model.request.RawRequest attribute) (httk.optimade.model.request.ValidatedRequest attribute) (httk.optimade.model.ValidatedRequest attribute) (httk.optimade.RawRequest attribute) (httk.optimade.ValidatedRequest attribute) (httk.web.model.HttpRequestContext attribute) (httk.web.model.request.HttpRequestContext attribute) query_function() (httk.optimade.backend.adapter.BackendAdapter method) (httk.optimade.backend.BackendAdapter method) (httk.optimade.BackendAdapter method) query_suffix (httk.data.db.codecs.ValueCodec attribute) (httk.data.db.ValueCodec attribute)

QueryFunction (class in httk.optimade.backend) (class in httk.optimade.backend.protocols) (class in httk.optimade.model) (class in httk.optimade.model.results) QueryResults (class in httk.optimade.backend) (class in httk.optimade.backend.protocols) (class in httk.optimade.model) (class in httk.optimade.model.results) querystr (httk.optimade.model.RawRequest attribute) (httk.optimade.model.request.RawRequest attribute) (httk.optimade.RawRequest attribute) queue (httk.workflow.adapters.RemoteTarget attribute) queue_settings() (in module httk.workflow.adapters) 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.FracVector class method) (httk.core.vectors.FracVector class method) (httk.core.vectors.fracvector.FracVector class method) rattle_poscar() (in module httk.workflow.vasp) raw (httk.workflow.ChildResult attribute) (httk.workflow.compat.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.optimade) (class in httk.optimade.model) (class in httk.optimade.model.request) read() (httk.core.BytestreamCommon 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.TextstreamCommon method) (httk.core.TextstreamFileView method) (httk.workflow.JobState method) (httk.workflow.protocol.AttemptContext class method) (httk.workflow.runtime.AttemptContext class method) read_cif() (in module httk.io) (in module httk.io.cif) (in module httk.io.cif.cif_reader) read_cif_asus() (in module httk.io.cif) (in module httk.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_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_metadata() (in module httk.workflow.adapters) read_poscar() (in module httk.io) (in module httk.io.vasp) (in module httk.io.vasp.poscar_reader) read_poscar_header() (in module httk.workflow.vasp) 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_state() (httk.workflow.compat.cwl.Workspace method) (httk.workflow.compat.pwd.Workspace method) (httk.workflow.Workspace method) read_version_manifest() (in module httk.core.docs) (in module httk.core.docs.manifests) 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) READABLE_CORE_PROFILES (in module httk.workflow.protocol) 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) reason (httk.workflow.configuration.DocumentSignature attribute) (httk.workflow.manifests.ManifestVerification attribute) (httk.workflow.protocol.MarkerFault attribute) (httk.workflow.protocol.StateFrame property) (httk.workflow.vasp.VaspRemedyDecision attribute) reciprocal() (httk.core.FracVector method) (httk.core.vectors.FracVector method) (httk.core.vectors.fracvector.FracVector method) recognize_asu() (in module httk.atomistic) (in module httk.atomistic.asu_recognition) recognized_prefixes (httk.optimade.backend.execution.StoreResults attribute) (httk.optimade.backend.StoreResults attribute) (httk.optimade.schema.served.ServedSchema attribute) recognized_response_fields (httk.optimade.model.request.ValidatedRequest attribute) (httk.optimade.model.ValidatedRequest attribute) (httk.optimade.ValidatedRequest attribute) reconcile() (httk.workflow.backends.PathRunnerBackend method) (httk.workflow.backends.RunnerBackend method) (httk.workflow.compat.v1.V1RunnerBackend method) record (httk.atomistic.Spacegroup property) (httk.atomistic.spacegroup.Spacegroup property) record_of() (in module httk.workflow.harvesting) record_ref (httk.workflow.protocol.JournalFrame attribute) (httk.workflow.protocol.Marker attribute) (httk.workflow.protocol.RecordVerification attribute) records() (httk.atomistic.structure_entries.StructureEntryProvider method) (httk.atomistic.StructureEntryProvider method) (httk.core.entry_provider.EntryProvider method) (httk.core.EntryProvider method) (httk.data.CalculationEntryProvider method) (httk.data.db.entry_provider.StoreEntryProvider method) (httk.data.entry_providers.CalculationEntryProvider method) (httk.data.entry_providers.FileEntryProvider method) (httk.data.entry_providers.ReferenceEntryProvider method) (httk.data.FileEntryProvider method) (httk.data.ReferenceEntryProvider method) RecordVerification (class in httk.workflow.protocol) recover() (httk.workflow.protocol.ReplayableWorkdirBatch static method) recover_transfers() (httk.workflow.compat.cwl.Workspace method) (httk.workflow.compat.pwd.Workspace method) (httk.workflow.Workspace method) (in module httk.workflow.transfers) reduced_coords (httk.atomistic.numeric_sites.NumericSites property) (httk.atomistic.NumericSites property) (httk.atomistic.Sites property) (httk.atomistic.sites.Sites property) (httk.atomistic.sites_api.SitesAPI property) (httk.atomistic.sites_class.SitesClass property) (httk.atomistic.sites_primitive.SitesPrimitive property) (httk.atomistic.SitesAPI property) (httk.atomistic.SitesClass property) (httk.atomistic.SitesPrimitive property) (httk.atomistic.structure_record.StructureRecord attribute) (httk.atomistic.StructureRecord attribute) Reference (class in httk.core) (class in httk.core.entry_types) referenced_classes() (httk.data.db.schema.TableSchema method) (httk.data.db.TableSchema method) ReferenceEntryProvider (class in httk.data) (class in httk.data.entry_providers) referring() (httk.data.db.store.SqlStore method) refusals (httk.workflow.vasp.RemedyPolicy attribute) REFUSED (in module httk.workflow.shell_bridge) register_cli_command() (in module httk.core) (in module httk.core.register) (in module httk.handlers.core) (in module httk.handlers.workflow) register_coercer() (in module httk.core) (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_provider() (in module httk.core) (in module httk.core.register) (in module httk.handlers.atomistic) (in module httk.handlers.data) register_format_adapter() (in module httk.core) (in module httk.core.register) (in module httk.handlers.atomistic) register_leaf_codec() (in module httk.core) (in module httk.core.vectors) (in module httk.core.vectors.leaf_codecs) register_loader() (in module httk.core.register) (in module httk.handlers.io) register_project_show_section() (in module httk.core.project.cli) (in module httk.handlers.workflow) register_project_subcommand() (in module httk.core.project.cli) (in module httk.handlers.workflow) register_remedy_policy() (in module httk.workflow.vasp) register_schema_override() (in module httk.data.db) (in module httk.data.db.schema) register_template() (in module httk.workflow.scaffold) register_value_codec() (in module httk.data.db) (in module httk.data.db.codecs) registered_templates() (in module httk.workflow.scaffold) reject_text_native_compression() (in module httk.core.datastream.compression) Related (class in httk.core) (class in httk.core.storage_markers) related (httk.data.db.FieldSpec attribute) (httk.data.db.schema.FieldSpec attribute) RelatedEntry (class in httk.core) (class in httk.core.entry_provider) RelatedPropertyResolver (in module httk.data) (in module httk.data.optimade_query) RelatedResolver (in module httk.optimade.endpoints.entries) relationship_id_handler() (in module httk.data) (in module httk.data.optimade_query) RelationshipLink (class in httk.core) (class in httk.core.storage_markers) relationships (httk.optimade.backend.adapter.EntrySource attribute) (httk.optimade.backend.EntrySource attribute) (httk.optimade.EntrySource attribute) (httk.optimade.model.ResultRow attribute) (httk.optimade.model.results.ResultRow attribute) relationships() (httk.core.entry_provider.EntryProvider method) (httk.core.EntryProvider method) (httk.data.CalculationEntryProvider method) (httk.data.db.entry_provider.StoreEntryProvider method) (httk.data.entry_providers.CalculationEntryProvider method) (httk.data.entry_providers.FileEntryProvider method) (httk.data.entry_providers.ReferenceEntryProvider method) (httk.data.FileEntryProvider method) (httk.data.ReferenceEntryProvider method) release_maintenance_lock() (in module httk.workflow.manifests) ReleaseCheck (class in httk.core.docs) (class in httk.core.docs.release) ReleaseError, [1] relurl (httk.optimade.model.RawRequest attribute) (httk.optimade.model.request.RawRequest attribute) (httk.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) remotes_home() (in module httk.workflow.configuration) RemoteTarget (class in httk.workflow.adapters)

remove() (httk.workflow.Attempt method) (httk.workflow.protocol.TransactionBuilder method) (httk.workflow.sdk.Attempt method) remove_remote() (in module httk.workflow.hygiene) render() (httk.web.engine.site_engine.SiteEngine method) (httk.web.engine.SiteEngine method) (httk.web.renderers.base.Renderer method) (httk.web.renderers.html.HtmlRenderer method) (httk.web.renderers.HtmlRenderer method) (httk.web.renderers.httkweb_compat.HttkwebCompatRenderer method) (httk.web.renderers.HttkwebCompatRenderer method) (httk.web.renderers.markdown.MarkdownRenderer method) (httk.web.renderers.MarkdownRenderer method) (httk.web.renderers.Renderer method) (httk.web.renderers.rst.RstRenderer method) (httk.web.renderers.RstRenderer method) (httk.web.templating.base.TemplateEngine method) (httk.web.templating.httk_compat.HttkCompatTemplateEngine method) (httk.web.templating.HttkCompatTemplateEngine method) (httk.web.templating.jinja2_engine.JinjaTemplateEngine method) (httk.web.templating.JinjaTemplateEngine method) (httk.web.templating.TemplateEngine method) render_fragment() (httk.web.templating.base.TemplateEngine method) (httk.web.templating.httk_compat.HttkCompatTemplateEngine method) (httk.web.templating.HttkCompatTemplateEngine method) (httk.web.templating.jinja2_engine.JinjaTemplateEngine method) (httk.web.templating.JinjaTemplateEngine method) (httk.web.templating.TemplateEngine method) render_template() (in module httk.workflow.runtime_utils) Renderer (class in httk.web.renderers) (class in httk.web.renderers.base) RENDERERS_BY_SUFFIX (in module httk.web.renderers) RenderResult (class in httk.web.renderers) (class in httk.web.renderers.base) repairable (httk.workflow.hygiene.Finding attribute) repaired (httk.workflow.hygiene.Finding attribute) replay_transaction() (in module httk.workflow.protocol) ReplayableWorkdirBatch (class in httk.workflow.protocol) repoint_marker() (httk.workflow.compat.cwl.Workspace method) (httk.workflow.compat.pwd.Workspace method) (httk.workflow.Workspace method) report_marker_fault() (httk.workflow.compat.cwl.Workspace method) (httk.workflow.compat.pwd.Workspace method) (httk.workflow.Workspace method) 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) representation (httk.optimade.model.RawRequest attribute) (httk.optimade.model.request.RawRequest attribute) (httk.optimade.model.request.ValidatedRequest attribute) (httk.optimade.model.ValidatedRequest attribute) (httk.optimade.RawRequest attribute) (httk.optimade.ValidatedRequest attribute) representative (httk.atomistic.wyckoff.WyckoffPosition property) (httk.atomistic.WyckoffPosition property) request (httk.core.BytestreamRequest property) (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.core.TextstreamRequest property) request_delay (httk.optimade.model.config.OptimadeConfig attribute) (httk.optimade.model.OptimadeConfig attribute) (httk.optimade.OptimadeConfig attribute) REQUEST_FORMAT (in module httk.workflow.adapters) request_id (httk.optimade.model.RawRequest attribute) (httk.optimade.model.request.RawRequest attribute) (httk.optimade.model.request.ValidatedRequest attribute) (httk.optimade.model.ValidatedRequest attribute) (httk.optimade.RawRequest attribute) (httk.optimade.ValidatedRequest attribute) RequestedSlice (class in httk.optimade.model.request) require_project() (in module httk.core.project) (in module httk.core.project.anchor) (in module httk.workflow.projects) required (httk.workflow.supervision.CheckerSpec attribute) required_capabilities (httk.workflow.ChildSpec attribute) (httk.workflow.protocol.JobDefinition attribute) (httk.workflow.protocol.JobSpec attribute) (httk.workflow.sdk.ChildSpec attribute) required_response_fields (httk.optimade.schema.served.ServedSchema attribute) requirements (httk.core.property_definitions.PropertyDefinition property) (httk.core.PropertyDefinition property) resolve() (httk.core.register.CLICommand method) (httk.web.engine.site_engine.SiteEngine method) (httk.web.engine.SiteEngine method) resolve_remote() (in module httk.workflow.adapters) resolve_route() (in module httk.web.engine.discovery) resolve_schema() (in module httk.data.db) (in module httk.data.db.schema) resolve_template() (in module httk.workflow.scaffold) resolve_trusted_keys() (in module httk.workflow.manifests) ResolvedRoute (class in httk.web.model) (class in httk.web.model.page) resources (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.sdk.ChildSpec attribute) response_code (httk.optimade.EndpointResponse attribute) (httk.optimade.model.EndpointResponse attribute) (httk.optimade.model.errors.OptimadeError attribute) (httk.optimade.model.OptimadeError attribute) (httk.optimade.model.request.EndpointResponse attribute) (httk.optimade.OptimadeError attribute) response_fields (httk.optimade.backend.execution.StoreResults attribute) (httk.optimade.backend.StoreResults attribute) (httk.optimade.model.request.ValidatedParameters attribute) (httk.optimade.model.ValidatedParameters attribute) (httk.optimade.ValidatedParameters attribute) response_format (httk.optimade.model.request.ValidatedParameters attribute) (httk.optimade.model.ValidatedParameters attribute) (httk.optimade.ValidatedParameters attribute) response_msg (httk.optimade.EndpointResponse attribute) (httk.optimade.model.EndpointResponse attribute) (httk.optimade.model.errors.OptimadeError attribute) (httk.optimade.model.OptimadeError attribute) (httk.optimade.model.request.EndpointResponse attribute) (httk.optimade.OptimadeError attribute) RESULT_FORMAT (in module httk.workflow.adapters) ResultRow (class in httk.optimade.model) (class in httk.optimade.model.results) resume() (httk.workflow.protocol.TransactionBuilder class method) retention (httk.workflow.protocol.WorkspacePolicy attribute) RetentionPolicy (class in httk.workflow.protocol) retire_transfers() (in module httk.workflow.transfers) retry() (httk.workflow.Attempt method) (httk.workflow.sdk.Attempt method) 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) rewind() (httk.io.cif.cif_reader.rewindable_iterator method) rewindable_iterator (class in httk.io.cif.cif_reader) role (httk.core.entry_provider.RelatedEntry attribute) (httk.core.Related attribute) (httk.core.RelatedEntry attribute) (httk.core.RelationshipLink attribute) (httk.core.storage_markers.Related attribute) (httk.core.storage_markers.RelationshipLink attribute) (httk.data.db.FieldSpec attribute) (httk.data.db.schema.FieldSpec attribute) root (httk.workflow.compat.cwl.Workspace attribute) (httk.workflow.compat.pwd.Workspace attribute) (httk.workflow.protocol.OutcomeDraft attribute) (httk.workflow.protocol.ReplayableWorkdirBatch attribute) (httk.workflow.protocol.TransactionBuilder attribute) (httk.workflow.Workspace attribute) root_redirect_html() (in module httk.core.docs) (in module httk.core.docs.redirect) route (httk.web.model.page.ResolvedRoute attribute) (httk.web.model.ResolvedRoute attribute) Row (in module httk.optimade.backend.memory_store) rows (httk.core.project.cli.ProjectShowSection attribute) (httk.core.Shape attribute) (httk.core.storage_markers.Shape attribute) RstRenderer (class in httk.web.renderers) (class in httk.web.renderers.rst) run() (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.optimade.runtime) (in module httk.optimade.runtime.devserver) (in module httk.web.runtime.devserver) run_until_idle() (httk.workflow.TaskManager method) run_vasp() (in module httk.workflow.vasp) RunLog (class in httk.workflow.protocol) Runner (class in httk.workflow) (class in httk.workflow.sdk) runner (httk.workflow.backends.AttemptLaunch attribute) (httk.workflow.ChildSpec attribute) (httk.workflow.compat.cwl.ScaffoldedJob attribute) (httk.workflow.compat.pwd.ScaffoldedJob attribute) (httk.workflow.scaffold.ScaffoldedJob attribute) (httk.workflow.ScaffoldedJob attribute) (httk.workflow.sdk.ChildSpec attribute) RUNNER (in module httk.workflow.compat.cwl) (in module httk.workflow.compat.pwd) runner_arguments (httk.workflow.protocol.JobDefinition attribute) (httk.workflow.protocol.JobSpec attribute) runner_backend (httk.workflow.protocol.JobDefinition attribute) (httk.workflow.protocol.JobSpec attribute) runner_backends (httk.workflow.TaskManager attribute) runner_command (httk.workflow.backends.AttemptLaunch property) runner_description (httk.workflow.harvesting.HarvestRecord attribute) (httk.workflow.HarvestRecord attribute) RUNNER_DESCRIPTION_FORMAT (in module httk.workflow.sdk) RUNNER_ERROR_FORMAT (in module httk.workflow.sdk) runner_file (httk.workflow.scaffold.TemplateProvider attribute) runner_modules (httk.workflow.TaskManager attribute) runner_package (httk.workflow.scaffold.TemplateProvider attribute) runner_path (httk.workflow.protocol.JobDefinition attribute) (httk.workflow.protocol.JobSpec attribute) runner_provenance (httk.workflow.harvesting.HarvestRecord attribute) (httk.workflow.HarvestRecord attribute) runner_provenance() (in module httk.workflow.harvesting) 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.harvesting.HarvestRecord attribute) (httk.workflow.HarvestRecord attribute) RUNNER_STEPS_VARIABLE (in module httk.workflow.shell_bridge) runner_store_path() (httk.workflow.compat.cwl.Workspace method) (httk.workflow.compat.pwd.Workspace method) (httk.workflow.Workspace method) RUNNER_WORKFLOW_VARIABLE (in module httk.workflow.shell_bridge) RunnerBackend (class in httk.workflow.backends) RunnerRef (class in httk.workflow) (class in httk.workflow.sdk) RunnerResolutionError, [1], [2] runners (httk.workflow.compat.cwl.Workspace attribute) (httk.workflow.compat.pwd.Workspace attribute) (httk.workflow.Workspace attribute) runtime_root (httk.workflow.compat.v1.V1RunnerBackend attribute)

S

s (httk.core.datastream.textstream_string.TextstreamString attribute) (httk.core.datastream.TextstreamString attribute) (httk.core.TextstreamString attribute) same_crystal() (in module httk.atomistic) (in module httk.atomistic.structure_comparison) save() (httk.data.db.store.SqlStore method) ScaffoldedJob (class in httk.workflow) (class in httk.workflow.compat.cwl) (class in httk.workflow.compat.pwd) (class in httk.workflow.scaffold) ScalarKind (in module httk.data.db) (in module httk.data.db.codecs) (in module httk.data.db.schema) ScalarLike (in module httk.core) (in module httk.core.vectors) (in module httk.core.vectors.scalar_like) scale (httk.atomistic.Cell property) (httk.atomistic.cell.Cell property) (httk.atomistic.cell_api.CellAPI property) (httk.atomistic.cell_class.CellClass property) (httk.atomistic.cell_params.CellParams property) (httk.atomistic.cell_primitive.CellPrimitive property) (httk.atomistic.CellAPI property) (httk.atomistic.CellClass property) (httk.atomistic.CellParams property) (httk.atomistic.CellPrimitive property) (httk.atomistic.numeric_cell.NumericCell property) (httk.atomistic.NumericCell property) (httk.workflow.vasp.PoscarHeader attribute) scale_poscar_lattice() (in module httk.workflow.vasp) scan_marker_entries() (httk.workflow.compat.cwl.Workspace method) (httk.workflow.compat.pwd.Workspace method) (httk.workflow.Workspace method) scan_markers() (httk.workflow.compat.cwl.Workspace method) (httk.workflow.compat.pwd.Workspace method) (httk.workflow.Workspace method) schema (httk.optimade.backend.adapter.BackendAdapter attribute) (httk.optimade.backend.BackendAdapter attribute) (httk.optimade.BackendAdapter attribute) schema_url (httk.optimade.model.config.OptimadeConfig attribute) (httk.optimade.model.OptimadeConfig attribute) (httk.optimade.OptimadeConfig attribute) SchemaError, [1] school (httk.core.entry_types.Reference attribute) (httk.core.Reference attribute) seal() (httk.workflow.protocol.ReplayableWorkdirBatch method) (httk.workflow.protocol.TransactionBuilder method) Searcher (class in httk.data) (class in httk.data.query) (class in httk.optimade.backend) (class in httk.optimade.backend.protocols) searcher() (httk.data.db.store.SqlStore method) (httk.data.query.Store method) (httk.data.Store method) (httk.optimade.backend.InMemoryStore method) (httk.optimade.backend.memory_store.InMemoryStore method) (httk.optimade.backend.protocols.Store method) (httk.optimade.backend.Store method) (httk.optimade.InMemoryStore method) SearchExpression (class in httk.data) (class in httk.data.query) (class in httk.optimade.backend) (class in httk.optimade.backend.protocols) SearchField (class in httk.data) (class in httk.data.query) (class in httk.optimade.backend) (class in httk.optimade.backend.protocols) SearchResult (class in httk.data) (class in httk.data.query) (class in httk.optimade.backend) (class in httk.optimade.backend.protocols) SearchVariable (class in httk.data) (class in httk.data.query) (class in httk.optimade.backend) (class in httk.optimade.backend.protocols) seed_application_settings() (in module httk.workflow.adapters) SEED_SETTING_MAP (in module httk.workflow.adapters) seed_settings() (httk.workflow.compat.cwl.Workspace method) (httk.workflow.compat.pwd.Workspace method) (httk.workflow.Workspace method) seek() (httk.core.BytestreamCommon method) (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.TextstreamCommon 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.workflow.protocol.StateFrame method) selector_config_literal() (in module httk.core.docs.sphinx_ext) sequences (httk.workflow.vasp.RemedyPolicy attribute) series (httk.core.entry_types.Reference attribute) (httk.core.Reference attribute) serve (httk.core.Related attribute) (httk.core.storage_markers.Related attribute) serve() (httk.workflow.TaskManager method) (in module httk.optimade) (in module httk.optimade.api) (in module httk.web) (in module httk.web.api) served_specs() (in module httk.data.db.entry_provider) ServedSchema (class in httk.optimade.schema.served) set() (httk.workflow.JobState method) set_common_denom() (httk.core.FracVector class method) (httk.core.vectors.FracVector class method) (httk.core.vectors.fracvector.FracVector class method) set_config_key() (in module httk.workflow.configuration) set_denominator() (httk.core.FracVector method) (httk.core.vectors.FracVector method) (httk.core.vectors.fracvector.FracVector method) set_derived (httk.data.db.searcher.SqlExpression attribute) set_handler() (in module httk.data.optimade_query) (in module httk.optimade.backend.handlers) set_inv() (httk.core.MutableFracVector method) (httk.core.vectors.MutableFracVector method) (httk.core.vectors.mutablefracvector.MutableFracVector method) set_limit() (httk.data.db.searcher.SqlSearcher method) (httk.data.query.Searcher method) (httk.data.Searcher method) (httk.optimade.backend.memory_store.MemorySearcher method) (httk.optimade.backend.protocols.Searcher method) (httk.optimade.backend.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.compat.cwl.Workspace method) (httk.workflow.compat.pwd.Workspace method) (httk.workflow.Workspace method) set_set_denominator() (httk.core.MutableFracVector method) (httk.core.vectors.MutableFracVector method) (httk.core.vectors.mutablefracvector.MutableFracVector method) set_setting() (httk.workflow.compat.cwl.Workspace method) (httk.workflow.compat.pwd.Workspace method) (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) settable (httk.workflow.configuration.ConfigKey attribute) settable_config_keys() (in module httk.workflow.configuration) setting (httk.atomistic.Spacegroup property) (httk.atomistic.spacegroup.Spacegroup property) setting() (httk.atomistic.asu_structure.ASUStructure method) (httk.atomistic.ASUStructure method) (httk.workflow.Attempt method) (httk.workflow.sdk.Attempt method) setting_definitions() (in module httk.atomistic) (in module httk.atomistic.symmetry_entries) SETTING_PROPERTY_KEYS (in module httk.atomistic.symmetry_entries) setting_transform() (in module httk.atomistic.data) settings (httk.workflow.compat.cwl.Workspace property) (httk.workflow.compat.pwd.Workspace property) (httk.workflow.protocol.AttemptContext attribute) (httk.workflow.runtime.AttemptContext attribute) (httk.workflow.Workspace property) SettingTransform (class in httk.atomistic) (class in httk.atomistic.setting_transform) setup() (in module httk.core.docs.sphinx_ext) severity (httk.workflow.supervision.Diagnostic attribute) sha256 (httk.workflow.RunnerRef attribute) (httk.workflow.sdk.RunnerRef attribute) (httk.workflow.vasp.PotcarChoice attribute) Shape (class in httk.core) (class in httk.core.storage_markers) shape (httk.data.db.FieldSpec attribute) (httk.data.db.schema.FieldSpec attribute) SID_COLUMN (in module httk.data.db.mapping) sid_of() (httk.data.db.store.SqlStore method) sign() (httk.core.FracVector method) (httk.core.SurdScalar method) (httk.core.vectors.FracVector method) (httk.core.vectors.fracvector.FracVector method) (httk.core.vectors.SurdScalar method) (httk.core.vectors.surdvector.SurdScalar method) (in module httk.core.vectors.vectormath) sign_document() (in module httk.workflow.configuration) sign_ed25519 (in module httk.core) (in module httk.core.ed25519) signature_digest() (in module httk.workflow.configuration) simple_property_handlers() (in module httk.data) (in module httk.data.optimade_query) (in module httk.optimade.backend) (in module httk.optimade.backend.handlers) simplified_property() (in module httk.optimade.schema.served) simplify() (httk.core.FracVector method) (httk.core.vectors.FracVector method) (httk.core.vectors.fracvector.FracVector method) simplify_fast() (httk.core.FracVector method) (httk.core.vectors.FracVector method) (httk.core.vectors.fracvector.FracVector method) sin() (httk.core.FracVector method) (httk.core.vectors.FracVector method) (httk.core.vectors.fracvector.FracVector 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.io.cif) (in module httk.io.cif.cif_parser) single_mag_asu_from_mcif_file() (in module httk.io.cif) (in module httk.io.cif.mcif_parser) sinh() (in module httk.core.vectors.vectormath) site_symmetry (httk.atomistic.wyckoff.WyckoffPosition property) (httk.atomistic.WyckoffPosition property) SiteConfig (class in httk.web.model) (class in httk.web.model.config) SiteEngine (class in httk.web.engine) (class in httk.web.engine.site_engine) Sites (class in httk.atomistic) (class in httk.atomistic.sites) sites (httk.atomistic.ASEAtomsBackend property) (httk.atomistic.compat.ASEAtomsBackend property) (httk.atomistic.numeric_unitcell_structure_backend.NumericUnitcellStructureBackend property) (httk.atomistic.numeric_unitcell_structure_view.NumericUnitcellStructureView property) (httk.atomistic.NumericUnitcellStructureBackend property) (httk.atomistic.NumericUnitcellStructureView property) (httk.atomistic.Structure property) (httk.atomistic.structure.Structure property) (httk.atomistic.structure_api.StructureAPI property) (httk.atomistic.structure_asu.StructureASU property) (httk.atomistic.structure_primitive.StructurePrimitive property) (httk.atomistic.structure_record_backend.StructureRecordBackend property) (httk.atomistic.StructureAPI property) (httk.atomistic.StructureASU property) (httk.atomistic.StructurePrimitive property) (httk.atomistic.StructureRecordBackend property) (httk.atomistic.unitcell_structure_backend.UnitcellStructureBackend property) (httk.atomistic.UnitcellStructureBackend property) SitesAPI (class in httk.atomistic) (class in httk.atomistic.sites_api) SitesBackend (class in httk.atomistic) (class in httk.atomistic.sites_backend) SitesClass (class in httk.atomistic) (class in httk.atomistic.sites_class) SitesClassView (class in httk.atomistic) (class in httk.atomistic.sites_class_view) SitesLike (in module httk.atomistic) (in module httk.atomistic.sites_like) SitesNumericView (class in httk.atomistic) (class in httk.atomistic.sites_numeric_view) SitesPrimitive (class in httk.atomistic) (class in httk.atomistic.sites_primitive) SitesPrimitiveView (class in httk.atomistic) (class in httk.atomistic.sites_primitive_view) SitesView (class in httk.atomistic) (class in httk.atomistic.sites_view) size (httk.core.entry_types.File attribute) (httk.core.File attribute) Skip (class in httk.core) (class in httk.core.storage_markers) sliceable (httk.optimade.backend.partial.PartialDimension attribute) (httk.optimade.backend.PartialDimension attribute) slug (httk.core.docs.config.InternalDependency attribute) (httk.core.docs.config.VersioningConfig attribute) (httk.core.docs.InternalDependency attribute) (httk.core.docs.VersioningConfig attribute) snake_case() (in module httk.data.db) (in module httk.data.db.schema) sniff_codec() (in module httk.core.datastream.compression) sort (httk.optimade.model.request.ValidatedParameters attribute) (httk.optimade.model.ValidatedParameters attribute) (httk.optimade.ValidatedParameters attribute) sort_fields (httk.optimade.model.request.ValidatedRequest attribute) (httk.optimade.model.ValidatedRequest attribute) (httk.optimade.ValidatedRequest attribute) sort_keys (httk.optimade.backend.adapter.EntrySource attribute) (httk.optimade.backend.EntrySource attribute) (httk.optimade.EntrySource attribute)

sortable_response_fields (httk.optimade.schema.served.ServedSchema attribute) source (httk.core.RelationshipLink attribute) (httk.core.storage_markers.RelationshipLink attribute) (httk.workflow.RunnerRef attribute) (httk.workflow.scaffold.JobTemplate attribute) (httk.workflow.sdk.RunnerRef attribute) (httk.workflow.supervision.Diagnostic attribute) (httk.workflow.supervision.SourceEvent attribute) (httk.workflow.vasp.PotcarChoice attribute) source_path (httk.web.model.page.ResolvedRoute attribute) (httk.web.model.ResolvedRoute attribute) SourceEvent (class in httk.workflow.supervision) sources (httk.optimade.backend.adapter.BackendAdapter attribute) (httk.optimade.backend.BackendAdapter attribute) (httk.optimade.BackendAdapter attribute) (httk.workflow.supervision.CheckerSpec attribute) Spacegroup (class in httk.atomistic) (class in httk.atomistic.spacegroup) spacegroup (httk.atomistic.asu_structure.ASUStructure property) (httk.atomistic.ASUStructure property) (httk.atomistic.ConventionalCellResult attribute) (httk.atomistic.standardization.ConventionalCellResult attribute) spacegroup_setting() (in module httk.atomistic.data) spacegroup_settings() (in module httk.atomistic.data) spawn() (httk.workflow.Attempt method) (httk.workflow.sdk.Attempt method) Species (class in httk.atomistic) (class in httk.atomistic.species) species (httk.atomistic.ASEAtomsBackend property) (httk.atomistic.asu_structure.ASUSite attribute) (httk.atomistic.asu_structure.ASUStructure property) (httk.atomistic.ASUSite attribute) (httk.atomistic.ASUStructure property) (httk.atomistic.compat.ASEAtomsBackend property) (httk.atomistic.numeric_unitcell_structure_backend.NumericUnitcellStructureBackend property) (httk.atomistic.numeric_unitcell_structure_view.NumericUnitcellStructureView property) (httk.atomistic.NumericUnitcellStructureBackend property) (httk.atomistic.NumericUnitcellStructureView property) (httk.atomistic.Structure property) (httk.atomistic.structure.Structure property) (httk.atomistic.structure_api.StructureAPI property) (httk.atomistic.structure_asu.StructureASU property) (httk.atomistic.structure_primitive.StructurePrimitive property) (httk.atomistic.structure_record.StructureRecord attribute) (httk.atomistic.structure_record_backend.StructureRecordBackend property) (httk.atomistic.StructureAPI property) (httk.atomistic.StructureASU property) (httk.atomistic.StructurePrimitive property) (httk.atomistic.StructureRecord attribute) (httk.atomistic.StructureRecordBackend property) (httk.atomistic.unitcell_structure_backend.UnitcellStructureBackend property) (httk.atomistic.UnitcellStructureBackend property) (httk.workflow.vasp.PoscarHeader attribute) (httk.workflow.vasp.PotcarChoice attribute) species_at_sites (httk.atomistic.ASEAtomsBackend property) (httk.atomistic.compat.ASEAtomsBackend property) (httk.atomistic.numeric_unitcell_structure_backend.NumericUnitcellStructureBackend property) (httk.atomistic.numeric_unitcell_structure_view.NumericUnitcellStructureView property) (httk.atomistic.NumericUnitcellStructureBackend property) (httk.atomistic.NumericUnitcellStructureView property) (httk.atomistic.Structure property) (httk.atomistic.structure.Structure property) (httk.atomistic.structure_api.StructureAPI property) (httk.atomistic.structure_asu.StructureASU property) (httk.atomistic.structure_primitive.StructurePrimitive property) (httk.atomistic.structure_record.StructureRecord attribute) (httk.atomistic.structure_record_backend.StructureRecordBackend property) (httk.atomistic.StructureAPI property) (httk.atomistic.StructureASU property) (httk.atomistic.StructurePrimitive property) (httk.atomistic.StructureRecord attribute) (httk.atomistic.StructureRecordBackend property) (httk.atomistic.unitcell_structure_backend.UnitcellStructureBackend property) (httk.atomistic.UnitcellStructureBackend property) SpeciesAPI (class in httk.atomistic) (class in httk.atomistic.species_api) SpeciesBackend (class in httk.atomistic) (class in httk.atomistic.species_backend) SpeciesClass (class in httk.atomistic) (class in httk.atomistic.species_class) SpeciesClassView (class in httk.atomistic) (class in httk.atomistic.species_class_view) SpeciesLike (in module httk.atomistic) (in module httk.atomistic.species_like) SpeciesPrimitive (class in httk.atomistic) (class in httk.atomistic.species_primitive) SpeciesPrimitiveView (class in httk.atomistic) (class in httk.atomistic.species_primitive_view) SpeciesRecord (class in httk.atomistic) (class in httk.atomistic.structure_record) SpeciesView (class in httk.atomistic) (class in httk.atomistic.species_view) spglib_default_spacegroup_setting() (in module httk.atomistic.data) split_compression_suffix() (in module httk.core.datastream.compression) split_remote() (in module httk.workflow.adapters) split_settings() (in module httk.workflow.adapters) sqlalchemy_metadata() (in module httk.data.db.mapping) SqlColumn (class in httk.data.db.searcher) SqlExpression (class in httk.data.db.searcher) sqlite() (httk.data.db.engine.Database class method) SqlReference (class in httk.data.db.searcher) SqlSearcher (class in httk.data.db.searcher) SqlStore (class in httk.data.db.store) SqlVariable (class in httk.data.db.searcher) sqrt() (httk.core.FracVector method) (httk.core.vectors.FracVector method) (httk.core.vectors.fracvector.FracVector 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.web.model.config.SiteConfig attribute) (httk.web.model.SiteConfig attribute) stack_vecs() (httk.core.FracVector class method) (httk.core.vectors.FracVector class method) (httk.core.vectors.fracvector.FracVector class method) stage_cwl_inputs() (in module httk.workflow.compat.cwl) STAGED_DIRECTORY (in module httk.workflow.compat.cwl) standard() (httk.atomistic.Spacegroup class method) (httk.atomistic.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.spacegroup.Spacegroup method) standard_setting_it_numbers() (in module httk.atomistic.data) standard_spacegroup_setting() (in module httk.atomistic.data) start (httk.optimade.model.request.RequestedSlice attribute) started_at (httk.workflow.protocol.StateFrame property) (httk.workflow.supervision.ProcessReport attribute) startswith() (httk.data.db.searcher.SqlColumn method) (httk.data.query.SearchField method) (httk.data.SearchField method) (httk.optimade.backend.memory_store.MemoryField method) (httk.optimade.backend.protocols.SearchField method) (httk.optimade.backend.SearchField method) state (httk.workflow.Attempt attribute) (httk.workflow.harvesting.HarvestRecord attribute) (httk.workflow.HarvestRecord attribute) (httk.workflow.sdk.Attempt attribute) state_directory() (httk.workflow.compat.cwl.Workspace method) (httk.workflow.compat.pwd.Workspace method) (httk.workflow.Workspace method) STATE_KINDS (in module httk.workflow.protocol) StateFrame (class in httk.workflow.protocol) static_dir (httk.web.model.config.SiteConfig property) (httk.web.model.SiteConfig property) static_subdir (httk.web.model.config.SiteConfig attribute) (httk.web.model.SiteConfig attribute) status (httk.workflow.hygiene.Finding attribute) status_code (httk.web.model.errors.WebError attribute) (httk.web.model.page.PageResult attribute) (httk.web.model.PageResult attribute) (httk.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) step (httk.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) steps (httk.workflow.Runner property) (httk.workflow.scaffold.JobTemplate attribute) (httk.workflow.scaffold.TemplateProvider attribute) (httk.workflow.sdk.Runner property) stop (httk.optimade.model.request.RequestedSlice attribute) (httk.workflow.supervision.Diagnostic attribute) STORAGE_INFO_ATTRIBUTE (in module httk.core) (in module httk.core.storage_markers) storage_name (httk.core.storage_markers.StorageInfo attribute) (httk.core.StorageInfo attribute) StorageInfo (class in httk.core) (class in httk.core.storage_markers) Store (class in httk.data) (class in httk.data.query) (class in httk.optimade.backend) (class in httk.optimade.backend.protocols) store (httk.optimade.backend.adapter.BackendAdapter attribute) (httk.optimade.backend.BackendAdapter attribute) (httk.optimade.BackendAdapter attribute) store_credentials() (in module httk.workflow.adapters) store_name (httk.workflow.scaffold.JobTemplate property) stored_digest (httk.workflow.protocol.JobDefinition attribute) stored_property (class in httk.core) (class in httk.core.storage_markers) StoreEntryProvider (class in httk.data.db.entry_provider) StoreResults (class in httk.optimade.backend) (class in httk.optimade.backend.execution) string_handler() (in module httk.data.optimade_query) (in module httk.optimade.backend.handlers) string_to_val_and_delta() (in module httk.core.exactmath) stringmatching_handler() (in module httk.data.optimade_query) (in module httk.optimade.backend.handlers) Structure (class in httk.atomistic) (class in httk.atomistic.structure) structure (httk.atomistic.ConventionalCellResult attribute) (httk.atomistic.standardization.ConventionalCellResult attribute) (httk.atomistic.supercell.SupercellResult attribute) (httk.atomistic.SupercellResult attribute) structure_files() (in module httk.workflow.scaffold) structure_from_payload() (in module httk.atomistic) (in module httk.atomistic.vasp_structures) structure_from_poscar() (in module httk.atomistic) (in module httk.atomistic.vasp_structures) STRUCTURE_PATTERNS (in module httk.workflow.scaffold) structure_tag() (in module httk.workflow.scaffold) structure_tolerance() (in module httk.atomistic) (in module httk.atomistic.asu_recognition) StructureAPI (class in httk.atomistic) (class in httk.atomistic.structure_api) StructureASU (class in httk.atomistic) (class in httk.atomistic.structure_asu) StructureBackend (class in httk.atomistic) (class in httk.atomistic.structure_backend) StructureEntryProvider (class in httk.atomistic) (class in httk.atomistic.structure_entries) StructureLike (in module httk.atomistic) (in module httk.atomistic.structure_like) StructurePrimitive (class in httk.atomistic) (class in httk.atomistic.structure_primitive) StructurePrimitiveView (class in httk.atomistic) (class in httk.atomistic.structure_primitive_view) StructureRecord (class in httk.atomistic) (class in httk.atomistic.structure_record) StructureRecordBackend (class in httk.atomistic) (class in httk.atomistic.structure_record_backend) StructureView (class in httk.atomistic) (class in httk.atomistic.structure_view) submit() (httk.workflow.compat.cwl.Workspace method) (httk.workflow.compat.pwd.Workspace method) (httk.workflow.Workspace method) submit_integration_job() (in module httk.workflow.compat.cwl) (in module httk.workflow.compat.pwd) submit_v1_task() (in module httk.workflow.compat.v1) subpackages (in module httk.core) 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) suffix (httk.workflow.vasp.PotcarChoice attribute) suggested_magnetic_moments() (in module httk.workflow.vasp) summary (httk.core.register.CLICommand attribute) (httk.workflow.scaffold.JobTemplate attribute) (httk.workflow.scaffold.TemplateProvider attribute) (httk.workflow.supervision.Diagnostic attribute) supercell() (httk.atomistic.Structure method) (httk.atomistic.structure.Structure method) SupercellResult (class in httk.atomistic) (class in httk.atomistic.supercell) SUPPORTED_EXTENSIONS (in module httk.workflow.protocol) SUPPORTED_KINDS (in module httk.workflow.adapter_protocol) SURD_EXACT_FORMAT (in module httk.data.db) (in module httk.data.db.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) symbol_of() (in module httk.atomistic) (in module httk.atomistic.elements) SYMBOLS (in module httk.atomistic) (in module httk.atomistic.elements) symmetry_operations (httk.atomistic.Spacegroup property) (httk.atomistic.spacegroup.Spacegroup property) symmetry_properties() (in module httk.atomistic) (in module httk.atomistic.symmetry_entries) SYMMETRY_PROPERTY_KEYS (in module httk.atomistic.symmetry_entries) symop_to_setting() (httk.atomistic.setting_transform.SettingTransform method) (httk.atomistic.SettingTransform method) symop_to_standard() (httk.atomistic.setting_transform.SettingTransform method) (httk.atomistic.SettingTransform method)

T

T() (httk.core.FracVector method) (httk.core.SurdVector method) (httk.core.vectors.FracVector method) (httk.core.vectors.fracvector.FracVector method) (httk.core.vectors.SurdVector method) (httk.core.vectors.surdvector.SurdVector method) table_for() (in module httk.data.db.mapping) table_name (httk.data.db.ChildTableSpec attribute) (httk.data.db.schema.ChildTableSpec attribute) (httk.data.db.schema.TableSchema attribute) (httk.data.db.TableSchema attribute) tables (httk.optimade.backend.InMemoryStore attribute) (httk.optimade.backend.memory_store.InMemoryStore attribute) (httk.optimade.InMemoryStore attribute) TableSchema (class in httk.data.db) (class in httk.data.db.schema) tag (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.compat.cwl.ScaffoldedJob attribute) (httk.workflow.compat.pwd.ScaffoldedJob attribute) (httk.workflow.protocol.JobDefinition attribute) (httk.workflow.protocol.JobSpec 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.RelationshipLink attribute) (httk.core.storage_markers.RelationshipLink attribute) (httk.data.db.ChildTableSpec attribute) (httk.data.db.FieldSpec attribute) (httk.data.db.schema.ChildTableSpec attribute) (httk.data.db.schema.FieldSpec attribute) (httk.optimade.backend.adapter.EntrySource attribute) (httk.optimade.backend.EntrySource attribute) (httk.optimade.backend.memory_store.MemoryVariable attribute) (httk.optimade.EntrySource attribute) TaskManager (class in httk.workflow) tell() (httk.core.BytestreamCommon method) (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.TextstreamCommon method) (httk.core.TextstreamFileView method) template (httk.workflow.compat.cwl.ScaffoldedJob attribute) (httk.workflow.compat.pwd.ScaffoldedJob attribute) (httk.workflow.scaffold.ScaffoldedJob attribute) (httk.workflow.ScaffoldedJob attribute) template_dir (httk.web.model.config.SiteConfig property) (httk.web.model.SiteConfig property) (httk.web.templating.jinja2_engine.JinjaTemplateEngine attribute) (httk.web.templating.JinjaTemplateEngine attribute) template_engine (httk.web.engine.site_engine.SiteEngine attribute) (httk.web.engine.SiteEngine attribute) template_name (httk.web.templating.base.TemplateRenderInput attribute) (httk.web.templating.TemplateRenderInput attribute) template_provider() (in module httk.workflow.scaffold) template_subdir (httk.web.model.config.SiteConfig attribute) (httk.web.model.SiteConfig attribute) template_suffixes (httk.web.templating.jinja2_engine.JinjaTemplateEngine attribute) (httk.web.templating.JinjaTemplateEngine attribute) TEMPLATE_SUFFIXES (in module httk.web.templating.jinja2_engine) TemplateEngine (class in httk.web.templating) (class in httk.web.templating.base) TemplateProvider (class in httk.workflow.scaffold) TemplateRenderInput (class in httk.web.templating) (class in httk.web.templating.base) TERMINAL_KINDS (in module httk.workflow.protocol) termination (httk.workflow.supervision.ProcessReport attribute) TextstreamAPI (class in httk.core.datastream.textstream_api) TextstreamBackend (class in httk.core) (class in httk.core.datastream) (class in httk.core.datastream.textstream_backend) TextstreamCommon (class in httk.core) (class in httk.core.datastream) (class in httk.core.datastream.textstream_common) TextstreamFile (class in httk.core) (class in httk.core.datastream) (class in httk.core.datastream.textstream_file) TextstreamFilename (class in httk.core) (class in httk.core.datastream) (class in httk.core.datastream.textstream_filename) TextstreamFilenameView (class in httk.core) (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) (class in httk.core.datastream) (class in httk.core.datastream.textstream_request) TextstreamRequestView (class in httk.core) (class in httk.core.datastream) (class in httk.core.datastream.textstream_request_view) TextstreamString (class in httk.core) (class in httk.core.datastream) (class in httk.core.datastream.textstream_string) TextstreamStringView (class in httk.core) (class in httk.core.datastream) (class in httk.core.datastream.textstream_string_view) TextstreamURL (class in httk.core) (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) (class in httk.core.datastream) (class in httk.core.datastream.textstream_view) tick() (httk.workflow.TaskManager method) timed_out (httk.workflow.runtime.CommandResult attribute) (httk.workflow.supervision.ProcessReport property) timeline() (in module httk.workflow.harvesting)

timeout (httk.workflow.compat.v1.V1RunnerBackend attribute) timestamp (httk.workflow.supervision.SourceEvent attribute) timestamp_handler() (in module httk.data.optimade_query) (in module httk.optimade.backend.handlers) titel (httk.workflow.vasp.PotcarChoice attribute) title (httk.core.entry_types.Reference attribute) (httk.core.property_definitions.PropertyDefinition property) (httk.core.PropertyDefinition property) (httk.core.Reference 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.FracVector method) (httk.core.SurdScalar method) (httk.core.VectorAPI method) (httk.core.vectors.FracVector method) (httk.core.vectors.fracvector.FracVector method) (httk.core.vectors.SurdScalar method) (httk.core.vectors.surdvector.SurdScalar method) (httk.core.vectors.vector_api.VectorAPI method) (httk.core.vectors.VectorAPI method) to_floats() (httk.core.FracVector method) (httk.core.SurdVector method) (httk.core.VectorAPI method) (httk.core.vectors.FracVector method) (httk.core.vectors.fracvector.FracVector method) (httk.core.vectors.SurdVector method) (httk.core.vectors.surdvector.SurdVector method) (httk.core.vectors.vector_api.VectorAPI method) (httk.core.vectors.VectorAPI method) to_fraction() (httk.core.FracVector method) (httk.core.vectors.FracVector method) (httk.core.vectors.fracvector.FracVector method) to_fractions() (httk.core.FracVector method) (httk.core.vectors.FracVector method) (httk.core.vectors.fracvector.FracVector method) to_fractions_approx() (httk.core.SurdVector method) (httk.core.vectors.SurdVector method) (httk.core.vectors.surdvector.SurdVector method) to_FracVector() (httk.core.MutableFracVector method) (httk.core.vectors.MutableFracVector method) (httk.core.vectors.mutablefracvector.MutableFracVector method) to_int() (httk.core.FracVector method) (httk.core.vectors.FracVector method) (httk.core.vectors.fracvector.FracVector method) to_ints() (httk.core.FracVector method) (httk.core.vectors.FracVector method) (httk.core.vectors.fracvector.FracVector 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_setting() (httk.atomistic.setting_transform.SettingTransform method) (httk.atomistic.SettingTransform method) to_species() (httk.atomistic.SpeciesRecord method) (httk.atomistic.structure_record.SpeciesRecord method) to_standard() (httk.atomistic.setting_transform.SettingTransform method) (httk.atomistic.SettingTransform method) to_string() (httk.core.FracVector method) (httk.core.vectors.FracVector method) (httk.core.vectors.fracvector.FracVector method) to_strings() (httk.core.FracVector method) (httk.core.vectors.FracVector method) (httk.core.vectors.fracvector.FracVector method) to_structure() (httk.atomistic.asu_structure.ASUStructure method) (httk.atomistic.ASUStructure method) (httk.atomistic.structure_record.StructureRecord method) (httk.atomistic.StructureRecord method) to_tuple() (httk.core.FracVector method) (httk.core.vectors.FracVector method) (httk.core.vectors.fracvector.FracVector method) to_xyz() (httk.atomistic.affine_operation.AffineOperation method) (httk.atomistic.AffineOperation method) total_attempts (httk.workflow.protocol.AttemptContext attribute) (httk.workflow.protocol.StateFrame property) (httk.workflow.runtime.AttemptContext attribute) trajectories_entry_info() (in module httk.optimade.schema.trajectories) transaction (httk.workflow.protocol.ReplayableWorkdirBatch attribute) transaction() (httk.data.db.store.SqlStore method) (httk.workflow.protocol.OutcomeDraft method) TransactionBuilder (class in httk.workflow.protocol) TransactionError, [1], [2] TRANSFER_DIRECTORY (in module httk.workflow.transfers) 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) transform (httk.atomistic.asu_structure.ASUStructure property) (httk.atomistic.ASUStructure property) (httk.atomistic.ConventionalCellResult attribute) (httk.atomistic.standardization.ConventionalCellResult attribute) transform_from_standard (httk.atomistic.Spacegroup property) (httk.atomistic.spacegroup.Spacegroup property) transformation (httk.atomistic.supercell.SupercellResult attribute) (httk.atomistic.SupercellResult attribute) transition() (httk.workflow.compat.cwl.Workspace method) (httk.workflow.compat.pwd.Workspace method) (httk.workflow.Workspace method) TransitionLostError, [1], [2] translate_filter() (in module httk.optimade.backend) (in module httk.optimade.backend.translation) translate_filter_ast() (in module httk.data) (in module httk.data.optimade_query) translate_filter_node() (in module httk.optimade.backend) (in module httk.optimade.backend.translation) translator_error_from() (in module httk.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) true_handler() (in module httk.data.optimade_query) (in module httk.optimade.backend.handlers) 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.workflow.manifests.ManifestVerification property) trusted_keys (httk.workflow.manifests.ManifestVerification attribute) trusted_project_keys() (in module httk.core.project) (in module httk.core.project.anchor) (in module httk.workflow.projects) type_ (httk.core.dataloader.DatasetMeta attribute) (httk.core.DatasetMeta attribute)

U

unchanged (httk.core.docs.ComposeResult attribute) (httk.core.docs.sitetree.ComposeResult attribute) unclean_restart (httk.workflow.protocol.StateFrame property) Unique (class in httk.core) (class in httk.core.storage_markers) unique (httk.data.db.ColumnSpec attribute) (httk.data.db.schema.ColumnSpec attribute) unit (httk.core.property_definitions.PropertyDefinition property) (httk.core.PropertyDefinition property) UnitcellStructureBackend (class in httk.atomistic) (class in httk.atomistic.unitcell_structure_backend) UnitcellStructureView (class in httk.atomistic) (class in httk.atomistic.unitcell_structure_view) unknown_comparison_handler() (in module httk.data.optimade_query) (in module httk.optimade.backend.handlers) unknown_has_handler() (in module httk.data.optimade_query) (in module httk.optimade.backend.handlers) unknown_length_handler() (in module httk.data.optimade_query) (in module httk.optimade.backend.handlers) unknown_response_fields (httk.optimade.backend.execution.StoreResults attribute) (httk.optimade.backend.StoreResults attribute) (httk.optimade.schema.served.ServedSchema attribute) unknown_stringmatching_handler() (in module httk.data.optimade_query) (in module httk.optimade.backend.handlers) unknown_unknown_handler() (in module httk.data.optimade_query) (in module httk.optimade.backend.handlers) unrecognized_response_fields (httk.optimade.model.request.ValidatedRequest attribute) (httk.optimade.model.ValidatedRequest attribute) (httk.optimade.ValidatedRequest attribute) 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.cell.Cell property) (httk.atomistic.cell_api.CellAPI property) (httk.atomistic.cell_class.CellClass property) (httk.atomistic.cell_params.CellParams property) (httk.atomistic.cell_primitive.CellPrimitive property) (httk.atomistic.CellAPI property) (httk.atomistic.CellClass property) (httk.atomistic.CellParams property) (httk.atomistic.CellPrimitive property) (httk.atomistic.numeric_cell.NumericCell property) (httk.atomistic.NumericCell property) unset_config_key() (in module httk.workflow.configuration) unset_setting() (httk.workflow.compat.cwl.Workspace method) (httk.workflow.compat.pwd.Workspace method) (httk.workflow.Workspace method) UnsupportedCwlError UnsupportedExtensionError, [1], [2] unwrap() (httk.atomistic.ase_atoms_view.ASEAtomsView method) (httk.atomistic.ASEAtomsBackend method) (httk.atomistic.asu_structure_view.ASUStructureView method) (httk.atomistic.ASUStructureView method) (httk.atomistic.cell_class.CellClass method) (httk.atomistic.cell_class_view.CellClassView method) (httk.atomistic.cell_numeric_view.CellNumericView method) (httk.atomistic.cell_params.CellParams method) (httk.atomistic.cell_params_view.CellParamsView method) (httk.atomistic.cell_primitive.CellPrimitive method) (httk.atomistic.cell_primitive_view.CellPrimitiveView method) (httk.atomistic.CellClass method) (httk.atomistic.CellClassView method) (httk.atomistic.CellNumericView method) (httk.atomistic.CellParams method) (httk.atomistic.CellParamsView method) (httk.atomistic.CellPrimitive method) (httk.atomistic.CellPrimitiveView method) (httk.atomistic.compat.ASEAtomsBackend method) (httk.atomistic.numeric_unitcell_structure_backend.NumericUnitcellStructureBackend method) (httk.atomistic.numeric_unitcell_structure_view.NumericUnitcellStructureView method) (httk.atomistic.NumericUnitcellStructureBackend method) (httk.atomistic.NumericUnitcellStructureView method) (httk.atomistic.sites_class.SitesClass method) (httk.atomistic.sites_class_view.SitesClassView method) (httk.atomistic.sites_numeric_view.SitesNumericView method) (httk.atomistic.sites_primitive.SitesPrimitive method) (httk.atomistic.sites_primitive_view.SitesPrimitiveView method) (httk.atomistic.SitesClass method) (httk.atomistic.SitesClassView method) (httk.atomistic.SitesNumericView method) (httk.atomistic.SitesPrimitive method) (httk.atomistic.SitesPrimitiveView method) (httk.atomistic.species_class.SpeciesClass method) (httk.atomistic.species_class_view.SpeciesClassView method) (httk.atomistic.species_primitive.SpeciesPrimitive method) (httk.atomistic.species_primitive_view.SpeciesPrimitiveView method) (httk.atomistic.SpeciesClass method) (httk.atomistic.SpeciesClassView method) (httk.atomistic.SpeciesPrimitive method) (httk.atomistic.SpeciesPrimitiveView method) (httk.atomistic.structure_asu.StructureASU method) (httk.atomistic.structure_primitive.StructurePrimitive method) (httk.atomistic.structure_primitive_view.StructurePrimitiveView method) (httk.atomistic.structure_record_backend.StructureRecordBackend method) (httk.atomistic.StructureASU method) (httk.atomistic.StructurePrimitive method) (httk.atomistic.StructurePrimitiveView method) (httk.atomistic.StructureRecordBackend method) (httk.atomistic.unitcell_structure_backend.UnitcellStructureBackend method) (httk.atomistic.unitcell_structure_view.UnitcellStructureView method) (httk.atomistic.UnitcellStructureBackend method) (httk.atomistic.UnitcellStructureView method) (httk.core.Backend method) (httk.core.BytestreamBytesView method) (httk.core.BytestreamCommon method) (httk.core.BytestreamFilenameView method) (httk.core.BytestreamFileView method) (httk.core.BytestreamRequestView 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.TextstreamCommon method) (httk.core.TextstreamFilenameView method) (httk.core.TextstreamFileView method) (httk.core.TextstreamRequestView method) (httk.core.TextstreamStringView method) (httk.core.TextstreamURLView method) (httk.core.VectorFrac method) (httk.core.VectorFracView method) (httk.core.VectorNative method) (httk.core.VectorNativeView method) (httk.core.vectors.vector_frac.VectorFrac method) (httk.core.vectors.vector_frac_view.VectorFracView method) (httk.core.vectors.vector_native.VectorNative method) (httk.core.vectors.vector_native_view.VectorNativeView method) (httk.core.vectors.vector_numpy.VectorNumpy method) (httk.core.vectors.vector_numpy_view.VectorNumpyView method) (httk.core.vectors.vector_surd.VectorSurd method) (httk.core.vectors.vector_surd_view.VectorSurdView method) (httk.core.vectors.VectorFrac method) (httk.core.vectors.VectorFracView method) (httk.core.vectors.VectorNative method) (httk.core.vectors.VectorNativeView method) (httk.core.vectors.VectorSurd method) (httk.core.vectors.VectorSurdView method) (httk.core.VectorSurd method) (httk.core.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) updated() (httk.workflow.protocol.WorkspacePolicy method) upgrade() (httk.workflow.compat.cwl.Workspace method) (httk.workflow.compat.pwd.Workspace method) (httk.workflow.Workspace method) url (httk.core.BytestreamRequest property) (httk.core.BytestreamURL property) (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.textstream_request.TextstreamRequest property) (httk.core.datastream.textstream_url.TextstreamURL property) (httk.core.datastream.TextstreamRequest property) (httk.core.datastream.TextstreamURL property) (httk.core.entry_types.File attribute) (httk.core.entry_types.Reference attribute) (httk.core.File attribute) (httk.core.Reference attribute) (httk.core.TextstreamRequest property) (httk.core.TextstreamURL property) url_stable_until (httk.core.entry_types.File attribute) (httk.core.File attribute) url_version (httk.optimade.model.request.ValidatedRequest attribute) (httk.optimade.model.ValidatedRequest attribute) (httk.optimade.ValidatedRequest attribute) use() (httk.core.FracVector class method) (httk.core.MutableFracVector class method) (httk.core.vectors.FracVector class method) (httk.core.vectors.fracvector.FracVector class method) (httk.core.vectors.MutableFracVector class method) (httk.core.vectors.mutablefracvector.MutableFracVector class method)

V

V1_BACKEND (in module httk.workflow.compat.v1) V1_CAPABILITY (in module httk.workflow.compat.v1) V1_PRIORITY_MAP (in module httk.workflow.compat.v1) V1_WORKFLOW (in module httk.workflow.compat.v1) V1RunnerBackend (class in httk.workflow.compat.v1) V1TaskManager (class in httk.workflow.compat.v1) V2_TO_V1_PRIORITY (in module httk.workflow.compat.v1) valid (httk.workflow.configuration.DocumentSignature attribute) (httk.workflow.manifests.ManifestVerification property) valid_endpoints (httk.optimade.schema.served.ServedSchema attribute) VALID_TRUSTED (in module httk.workflow.manifests) VALID_UNKNOWN_KEY (in module httk.workflow.manifests) validate() (httk.core.FracVector method) (httk.core.MutableFracVector method) (httk.core.vectors.FracVector method) (httk.core.vectors.fracvector.FracVector method) (httk.core.vectors.MutableFracVector method) (httk.core.vectors.mutablefracvector.MutableFracVector method) (httk.workflow.backends.PathRunnerBackend method) (httk.workflow.backends.RunnerBackend method) (httk.workflow.compat.v1.V1RunnerBackend method) validate_adapter_bundle() (in module httk.workflow.adapters) validate_attempt_control() (in module httk.workflow.protocol) validate_bundle() (in module httk.workflow.transfers) validate_compression() (in module httk.core.datastream.compression) validate_declaration_name() (in module httk.workflow.protocol) validate_declarations() (in module httk.workflow.protocol) validate_failure() (in module httk.workflow.protocol) validate_inputs() (in module httk.workflow.protocol) validate_job_payload() (httk.workflow.compat.cwl.Workspace method) (httk.workflow.compat.pwd.Workspace method) (httk.workflow.Workspace method) validate_label() (in module httk.workflow.protocol) validate_leaf_codec() (in module httk.core.vectors.leaf_codecs) validate_optimade_request() (in module httk.optimade.engine) (in module httk.optimade.engine.validate) validate_property() (in module httk.data) (in module httk.data.validation) validate_pwd_document() (in module httk.workflow.compat.pwd) validate_record() (in module httk.data) (in module httk.data.validation) validate_runner_path() (in module httk.workflow.protocol) validate_sha256() (in module httk.workflow.protocol) validate_step() (in module httk.workflow.protocol) validate_vasp_workdir() (in module httk.workflow.vasp) ValidatedParameters (class in httk.optimade) (class in httk.optimade.model) (class in httk.optimade.model.request) ValidatedRequest (class in httk.optimade) (class in httk.optimade.model) (class in httk.optimade.model.request) ValueCodec (class in httk.data.db) (class in httk.data.db.codecs) values (httk.data.query.SearchResult attribute) (httk.data.SearchResult attribute) (httk.optimade.backend.protocols.SearchResult attribute) (httk.optimade.backend.SearchResult attribute) (httk.optimade.model.ResultRow attribute) (httk.optimade.model.results.ResultRow attribute) variable() (httk.data.db.searcher.SqlSearcher method) (httk.data.query.Searcher method) (httk.data.Searcher method) (httk.optimade.backend.memory_store.MemorySearcher method) (httk.optimade.backend.protocols.Searcher method) (httk.optimade.backend.Searcher method) variant (httk.workflow.vasp.PotcarChoice attribute) VASP_RESTART_ARTIFACTS (in module httk.workflow.vasp) VaspPreparationOptions (class in httk.workflow.vasp) VaspRemedyDecision (class in httk.workflow.vasp) VaspRunReport (class in httk.workflow.vasp) vector (httk.atomistic.affine_operation.AffineOperation property) (httk.atomistic.AffineOperation property) (httk.atomistic.setting_transform.SettingTransform property) (httk.atomistic.SettingTransform property) VectorAPI (class in httk.core) (class in httk.core.vectors) (class in httk.core.vectors.vector_api)

VectorBackend (class in httk.core) (class in httk.core.vectors) (class in httk.core.vectors.vector_backend) VectorFrac (class in httk.core) (class in httk.core.vectors) (class in httk.core.vectors.vector_frac) VectorFracView (class in httk.core) (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) VectorNative (class in httk.core) (class in httk.core.vectors) (class in httk.core.vectors.vector_native) VectorNativeView (class in httk.core) (class in httk.core.vectors) (class in httk.core.vectors.vector_native_view) VectorNumpy (class in httk.core.vectors.vector_numpy) VectorNumpyView (class in httk.core.vectors.vector_numpy_view) VectorSurd (class in httk.core) (class in httk.core.vectors) (class in httk.core.vectors.vector_surd) VectorSurdView (class in httk.core) (class in httk.core.vectors) (class in httk.core.vectors.vector_surd_view) VectorView (class in httk.core) (class in httk.core.vectors) (class in httk.core.vectors.vector_view) verdict (httk.workflow.manifests.ManifestVerification attribute) VERDICT_EXIT_CODES (in module httk.workflow.manifests) verify_document() (in module httk.workflow.configuration) verify_ecosystem_manifest() (in module httk.core.docs) (in module httk.core.docs.ecosystem) verify_ed25519 (in module httk.core) (in module httk.core.ed25519) verify_legacy_manifest() (in module httk.workflow.manifests) verify_manifest() (in module httk.workflow.manifests) verify_record() (in module httk.workflow.protocol) verify_v2_manifest() (in module httk.workflow.manifests) 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.optimade.model.RawRequest attribute) (httk.optimade.model.request.RawRequest attribute) (httk.optimade.model.request.ValidatedRequest attribute) (httk.optimade.model.ValidatedRequest attribute) (httk.optimade.RawRequest attribute) (httk.optimade.ValidatedRequest attribute) (httk.workflow.compat.pwd.PwdDocument property) version_depth() (in module httk.core.docs.sphinx_ext) 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_class_coercer() (in module httk.core.views) (in module httk.core.views.coercion) visibility_deadline (httk.workflow.compat.cwl.Workspace property) (httk.workflow.compat.pwd.Workspace property) (httk.workflow.Workspace property) visibility_deadline_seconds (httk.workflow.protocol.WorkspacePolicy attribute) volume (httk.atomistic.Cell property) (httk.atomistic.cell.Cell property) (httk.atomistic.numeric_cell.NumericCell property) (httk.atomistic.NumericCell property) (httk.core.entry_types.Reference attribute) (httk.core.Reference attribute)

W

walk_markers() (httk.workflow.compat.cwl.Workspace method) (httk.workflow.compat.pwd.Workspace method) (httk.workflow.Workspace method) warnings (httk.optimade.model.request.ValidatedRequest attribute) (httk.optimade.model.ValidatedRequest attribute) (httk.optimade.ValidatedRequest attribute) (httk.web.model.page.PageResult attribute) (httk.web.model.page.PublishReport attribute) (httk.web.model.PageResult attribute) (httk.web.model.PublishReport attribute) (httk.workflow.compat.cwl.CwlNotes attribute) (httk.workflow.compat.cwl.ImportedCwl attribute) WebError, [1] where_clause (httk.data.db.searcher.SqlExpression attribute) with_implementation() (httk.core.property_definitions.PropertyDefinition method) (httk.core.PropertyDefinition method) WITHDRAWN_EXTENSIONS (in module httk.workflow.protocol) workdir (httk.workflow.Attempt attribute) (httk.workflow.backends.AttemptLaunch attribute) (httk.workflow.ChildResult attribute) (httk.workflow.harvesting.HarvestRecord property) (httk.workflow.HarvestRecord 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.JobTemplate attribute) (httk.workflow.scaffold.TemplateProvider attribute) (httk.workflow.sdk.ChildSpec attribute) workdir_path (httk.workflow.ChildSpec attribute) (httk.workflow.harvesting.HarvestRecord attribute) (httk.workflow.HarvestRecord 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.compat.cwl.ScaffoldedJob attribute) (httk.workflow.compat.pwd.ScaffoldedJob attribute) (httk.workflow.protocol.JobDefinition attribute) (httk.workflow.protocol.JobSpec attribute) (httk.workflow.Runner attribute) (httk.workflow.scaffold.JobTemplate attribute) (httk.workflow.scaffold.ScaffoldedJob attribute) (httk.workflow.scaffold.TemplateProvider attribute) (httk.workflow.ScaffoldedJob attribute) (httk.workflow.sdk.ChildSpec attribute) (httk.workflow.sdk.Runner attribute) WORKFLOW (in module httk.workflow.compat.cwl) (in module httk.workflow.compat.pwd) workflow_show_section() (in module httk.workflow.hygiene) WorkflowError, [1], [2] Workspace (class in httk.workflow) (class in httk.workflow.compat.cwl) (class in httk.workflow.compat.pwd)

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.compat.cwl.Workspace attribute) (httk.workflow.compat.pwd.Workspace attribute) (httk.workflow.harvesting.HarvestRecord attribute) (httk.workflow.HarvestRecord 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.harvesting.HarvestRecord attribute) (httk.workflow.HarvestRecord attribute) WorkspaceCorruptionError, [1], [2] WorkspacePolicy (class in httk.workflow.protocol) WorkspaceUnavailableError, [1], [2] wrapped() (httk.atomistic.affine_operation.AffineOperation method) (httk.atomistic.AffineOperation method) wrapper (httk.workflow.compat.v1.V1RunnerBackend attribute) 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.io.cif.cif_writer) write_config() (in module httk.workflow.configuration) write_ecosystem_manifest() (in module httk.core.docs) (in module httk.core.docs.ecosystem) write_page_manifest() (in module httk.core.docs) (in module httk.core.docs.manifests) 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_version_manifest() (in module httk.core.docs) (in module httk.core.docs.manifests) writer (httk.workflow.TaskManager attribute) writer_id (httk.workflow.protocol.JournalFrame attribute) written_files (httk.web.model.page.PublishReport attribute) (httk.web.model.PublishReport attribute) wyckoff (httk.atomistic.asu_structure.ASUSite attribute) (httk.atomistic.ASUSite attribute) (httk.atomistic.Spacegroup property) (httk.atomistic.spacegroup.Spacegroup property) wyckoff_letter_map() (in module httk.atomistic) (in module httk.atomistic.spacegroup) wyckoff_position() (httk.atomistic.Spacegroup method) (httk.atomistic.spacegroup.Spacegroup method) wyckoff_positions() (in module httk.atomistic) (in module httk.atomistic.wyckoff) WyckoffBranch (class in httk.atomistic) (class in httk.atomistic.wyckoff) WyckoffPosition (class in httk.atomistic) (class in httk.atomistic.wyckoff)

X

xyz_symops_to_matrix() (in module httk.io.cif.cif_parser)

xyzt_symops_to_matrix() (in module httk.io.cif.mcif_parser)

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.FracVector class method) (httk.core.vectors.FracVector class method) (httk.core.vectors.fracvector.FracVector class method)