Index A | B | C | D | E | F | G | H | I | J | K | L | M | N | O | P | Q | R | S | T | U | V | W A 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) 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_OPERATIONS (in module httk.workflow.adapters) add_child() (httk.workflow.protocol.OutcomeDraft method) add_child_job() (httk.workflow.protocol.OutcomeDraft method) add_remote() (in module httk.workflow.adapters) adopt_legacy_data_home() (in module httk.workflow.configuration) advance() (httk.workflow.Attempt method) (httk.workflow.sdk.Attempt method) age_seconds (httk.workflow.manifests.MaintenanceLock property) all (httk.workflow.ChildrenView attribute) (httk.workflow.sdk.ChildrenView attribute) allowed_backends (httk.workflow.TaskManager attribute) append() (httk.workflow.protocol.RunLog method) apply_vasp_remedy() (in module httk.workflow.vasp) 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) assemble_potcar() (in module httk.workflow.vasp) 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) automatic_kpoint_grid() (in module httk.workflow.vasp) B BATCH_DIRECTIVES (in module httk.workflow.adapter_protocol) BATCH_DIRECTORY (in module httk.workflow.adapter_protocol) bundle (httk.workflow.adapters.RemoteTarget attribute) bundled_v1_root() (in module httk.workflow.compat.v1) C calculate_nbands() (in module httk.workflow.vasp) cancel_grace_seconds (httk.workflow.TaskManager attribute) cancellation (httk.workflow.protocol.StateFrame property) 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) centering (httk.workflow.vasp.VaspPreparationOptions attribute) changes (httk.workflow.vasp.VaspRemedyDecision attribute) check (httk.workflow.hygiene.Finding attribute) check() (httk.workflow.compat.cwl.Workspace method) (httk.workflow.compat.pwd.Workspace method) (httk.workflow.Workspace method) checker_specs (httk.workflow.supervision.ProcessSupervisor attribute) CheckerSpec (class in httk.workflow.supervision) 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) choices (httk.workflow.vasp.PotcarAssembly attribute) 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) close() (httk.workflow.TaskManager method) 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) collect_garbage() (httk.workflow.compat.cwl.Workspace method) (httk.workflow.compat.pwd.Workspace method) (httk.workflow.Workspace method) command() (httk.workflow.backends.PathRunnerBackend method) (httk.workflow.backends.RunnerBackend method) (httk.workflow.compat.v1.V1RunnerBackend method) CommandResult (class in httk.workflow.runtime) comment (httk.workflow.vasp.PoscarHeader 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) compress_files() (in module httk.workflow.runtime_utils) 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_path() (in module httk.workflow.configuration) ConfigKey (class in httk.workflow.configuration) contcar_to_poscar() (in module httk.workflow.vasp) context (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) 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) counts (httk.workflow.vasp.PoscarHeader attribute) create() (httk.workflow.protocol.ReplayableWorkdirBatch class method) create_manifest() (in module httk.workflow.manifests) created (httk.workflow.manifests.MaintenanceLock attribute) CREDENTIALS_FILE (in module httk.workflow.adapters) CwlImportError CwlNotes (class in httk.workflow.compat.cwl) D data (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_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) dead (httk.workflow.manifests.MaintenanceLock property) 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) decompress_files() (in module httk.workflow.runtime_utils) DEFAULT_CAPTURE_LIMIT (in module httk.workflow.supervision) 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_TAIL_LIMIT (in module httk.workflow.supervision) DEFAULT_TICK_INTERVAL (in module httk.workflow.supervision) delete() (httk.workflow.JobState method) derive_seed() (in module httk.workflow.vasp) describe() (httk.workflow.manifests.MaintenanceLock method) describe_project() (in module httk.workflow.hygiene) describe_remote() (in module httk.workflow.hygiene) describe_runner() (in module httk.workflow.scaffold) description (httk.workflow.configuration.ConfigKey attribute) description() (httk.workflow.Runner method) (httk.workflow.sdk.Runner method) detach() (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.workflow.protocol.RecordVerification attribute) details (httk.workflow.hygiene.Finding attribute) (httk.workflow.protocol.Failure attribute) 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) discard_staged_bundle() (in module httk.workflow.transfers) discovery_budget (httk.workflow.TaskManager 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) DocumentSignature (class in httk.workflow.configuration) dropped_diagnostics (httk.workflow.supervision.ProcessReport attribute) 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 edges (httk.workflow.compat.pwd.PwdDocument attribute) ediff_margin (httk.workflow.vasp.VaspPreparationOptions attribute) encode_record_ref() (in module httk.workflow.protocol) ensure_identity_key() (in module httk.workflow.configuration) evaluate_expression() (in module httk.workflow.runtime_utils) event (httk.workflow.supervision.SourceEvent attribute) evidence (httk.workflow.supervision.Diagnostic attribute) exit_code (httk.workflow.manifests.ManifestVerification property) expected_generation (httk.workflow.protocol.TransactionBuilder attribute) extensions (httk.workflow.compat.cwl.Workspace attribute) (httk.workflow.compat.pwd.Workspace attribute) (httk.workflow.Workspace attribute) F 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) 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) 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) follow (httk.workflow.supervision.ProcessSupervisor attribute) FollowSource (class in httk.workflow.supervision) format (httk.workflow.compat.cwl.Workspace attribute) (httk.workflow.compat.pwd.Workspace attribute) (httk.workflow.Workspace attribute) FormatError, [1], [2] frame (httk.workflow.protocol.JournalFrame attribute) (httk.workflow.protocol.RecordVerification attribute) from_bytes() (httk.workflow.protocol.JobDefinition 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_path() (httk.workflow.protocol.JobDefinition class method) (httk.workflow.protocol.Marker class method) functions (httk.workflow.compat.pwd.PwdDocument property) G 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) generation (httk.workflow.protocol.Marker attribute) get() (httk.workflow.ChildrenView method) (httk.workflow.sdk.ChildrenView method) give_up (httk.workflow.vasp.VaspRemedyDecision attribute) H 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) heartbeat() (httk.workflow.TaskManager method) heartbeat_interval (httk.workflow.TaskManager attribute) heartbeat_period (httk.workflow.TaskManager property) hostname (httk.workflow.manifests.MaintenanceLock attribute) (httk.workflow.TaskManager attribute) 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 I id (httk.workflow.protocol.JobDefinition attribute) 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) 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_v1_configuration() (in module httk.workflow.configuration) import_v1_project() (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) 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.workflow.projects) 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) INVALID (in module httk.workflow.manifests) invalidate_marker_index() (httk.workflow.compat.cwl.Workspace method) (httk.workflow.compat.pwd.Workspace method) (httk.workflow.Workspace method) is_payload_private() (in module httk.workflow.protocol) is_restart (httk.workflow.protocol.AttemptContext attribute) (httk.workflow.runtime.AttemptContext attribute) is_stale() (httk.workflow.manifests.MaintenanceLock method) is_unclean_restart (httk.workflow.protocol.AttemptContext attribute) (httk.workflow.runtime.AttemptContext attribute) iter_journal_frames() (in module httk.workflow.protocol) iter_segment_frames() (in module httk.workflow.protocol) J 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_days (httk.workflow.protocol.RetentionPolicy attribute) journal_segment_bytes (httk.workflow.protocol.WorkspacePolicy attribute) JournalFrame (class in httk.workflow.protocol) K keys_home() (in module httk.workflow.configuration) kind (httk.workflow.ChildResult attribute) (httk.workflow.protocol.Marker attribute) (httk.workflow.sdk.ChildResult attribute) 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_oszicar_energy() (in module httk.workflow.vasp) last_vasprun_volume() (in module httk.workflow.vasp) lattice (httk.workflow.vasp.PoscarHeader attribute) lease_seconds (httk.workflow.protocol.StateFrame property) (httk.workflow.protocol.WorkspacePolicy attribute) (httk.workflow.TaskManager attribute) legacy_priority() (in module httk.workflow.compat.v1) library (httk.workflow.vasp.PotcarAssembly attribute) line (httk.workflow.supervision.SourceEvent attribute) list_remotes() (in module httk.workflow.adapters) load_cwl_inputs() (in module httk.workflow.compat.cwl) load_cwl_plan() (in module httk.workflow.compat.cwl) 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) local (httk.workflow.manifests.MaintenanceLock property) log (httk.workflow.Attempt attribute) (httk.workflow.sdk.Attempt attribute) log_compression (httk.workflow.compat.v1.V1RunnerBackend attribute) M main() (httk.workflow.Runner method) (httk.workflow.sdk.Runner method) (in module httk.workflow.adapter_protocol) (in module httk.workflow.shell_bridge) MAINTENANCE_LOCK_FILE (in module httk.workflow.manifests) MAINTENANCE_LOCK_MAX_AGE_SECONDS (in module httk.workflow.manifests) MaintenanceLock (class in httk.workflow.manifests) 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) 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) 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) members (httk.workflow.protocol.StateFrame attribute) merge() (httk.workflow.JobState method) message (httk.workflow.hygiene.Finding attribute) (httk.workflow.protocol.Failure attribute) METADATA_FILE (in module httk.workflow.adapters) metadata_path() (in module httk.workflow.adapters) module 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) N name (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) new_job() (in module httk.workflow) (in module httk.workflow.scaffold) new_jobs() (in module httk.workflow) (in module httk.workflow.scaffold) next_step (httk.workflow.protocol.StateFrame property) nodes (httk.workflow.compat.pwd.PwdDocument attribute) normalize_handedness (httk.workflow.vasp.VaspPreparationOptions attribute) normalize_placement() (in module httk.workflow.protocol) normalize_poscar_handedness() (in module httk.workflow.vasp) O of() (httk.workflow.protocol.StateFrame class method) offer_transfers() (in module httk.workflow.transfers) offset (httk.workflow.protocol.JournalFrame attribute) ok (httk.workflow.protocol.RecordVerification property) open_journal_writer() (httk.workflow.compat.cwl.Workspace method) (httk.workflow.compat.pwd.Workspace method) (httk.workflow.Workspace method) operator_key (httk.workflow.configuration.DocumentSignature attribute) order (httk.workflow.compat.pwd.PwdDocument 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_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) parallel_tag (httk.workflow.vasp.VaspPreparationOptions attribute) parallel_value (httk.workflow.vasp.VaspPreparationOptions attribute) parent (httk.workflow.protocol.JobDefinition attribute) parse_job_key() (in module httk.workflow.protocol) parse_package_runner() (in module httk.workflow.protocol) parse_record_ref() (in module httk.workflow.protocol) parse_v1_task_name() (in module httk.workflow.compat.v1) 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) PERSISTABLE_QUEUE_SETTINGS (in module httk.workflow.adapters) pid (httk.workflow.manifests.MaintenanceLock attribute) 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) 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) PoscarHeader (class in httk.workflow.vasp) potcar_summary() (in module httk.workflow.vasp) PotcarAssembly (class in httk.workflow.vasp) PotcarChoice (class in httk.workflow.vasp) precedence (httk.workflow.vasp.RemedyPolicy attribute) 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) ProcessReport (class in httk.workflow.supervision) ProcessSupervisor (class in httk.workflow.supervision) PROJECT_DESCRIPTION_FORMAT (in module httk.workflow.hygiene) project_doctor() (in module httk.workflow.hygiene) project_exclusions() (in module httk.workflow.projects) project_local (httk.workflow.adapters.RemoteTarget attribute) project_remote_roots() (in module httk.workflow.adapters) provenance (httk.workflow.harvesting.HarvestRecord attribute) (httk.workflow.HarvestRecord attribute) (httk.workflow.vasp.PotcarAssembly attribute) pseudopotential_library (httk.workflow.vasp.VaspPreparationOptions attribute) public_key (httk.workflow.manifests.ManifestVerification attribute) publish() (httk.workflow.protocol.OutcomeDraft method) 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) published (httk.workflow.Attempt property) (httk.workflow.sdk.Attempt property) 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 Q quarantine() (httk.workflow.compat.cwl.Workspace method) (httk.workflow.compat.pwd.Workspace method) (httk.workflow.Workspace method) queue (httk.workflow.adapters.RemoteTarget attribute) queue_settings() (in module httk.workflow.adapters) QUIESCENT_KINDS (in module httk.workflow.protocol) R 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) read() (httk.workflow.JobState method) (httk.workflow.protocol.AttemptContext class method) (httk.workflow.runtime.AttemptContext class method) read_config() (in module httk.workflow.configuration) read_credentials() (in module httk.workflow.adapters) read_incar() (in module httk.workflow.vasp) read_maintenance_lock() (in module httk.workflow.manifests) read_metadata() (in module httk.workflow.adapters) read_poscar_header() (in module httk.workflow.vasp) 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) READABLE_CORE_PROFILES (in module httk.workflow.protocol) 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) reconcile() (httk.workflow.backends.PathRunnerBackend method) (httk.workflow.backends.RunnerBackend method) (httk.workflow.compat.v1.V1RunnerBackend method) record_of() (in module httk.workflow.harvesting) record_ref (httk.workflow.protocol.JournalFrame attribute) (httk.workflow.protocol.Marker attribute) (httk.workflow.protocol.RecordVerification attribute) 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) refusals (httk.workflow.vasp.RemedyPolicy attribute) REFUSED (in module httk.workflow.shell_bridge) register_remedy_policy() (in module httk.workflow.vasp) register_template() (in module httk.workflow.scaffold) registered_templates() (in module httk.workflow.scaffold) release_maintenance_lock() (in module httk.workflow.manifests) 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_template() (in module httk.workflow.runtime_utils) 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) REQUEST_FORMAT (in module httk.workflow.adapters) 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) resolve_remote() (in module httk.workflow.adapters) resolve_template() (in module httk.workflow.scaffold) resolve_trusted_keys() (in module httk.workflow.manifests) 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) RESULT_FORMAT (in module httk.workflow.adapters) 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) 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) 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_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 ScaffoldedJob (class in httk.workflow) (class in httk.workflow.compat.cwl) (class in httk.workflow.compat.pwd) (class in httk.workflow.scaffold) scale (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) seal() (httk.workflow.protocol.ReplayableWorkdirBatch method) (httk.workflow.protocol.TransactionBuilder method) 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) segment (httk.workflow.protocol.JournalFrame attribute) segment_path() (in module httk.workflow.protocol) select() (httk.workflow.protocol.StateFrame method) sequences (httk.workflow.vasp.RemedyPolicy attribute) serve() (httk.workflow.TaskManager method) set() (httk.workflow.JobState method) set_config_key() (in module httk.workflow.configuration) set_policy() (httk.workflow.compat.cwl.Workspace method) (httk.workflow.compat.pwd.Workspace method) (httk.workflow.Workspace method) set_setting() (httk.workflow.compat.cwl.Workspace method) (httk.workflow.compat.pwd.Workspace method) (httk.workflow.Workspace method) settable (httk.workflow.configuration.ConfigKey attribute) settable_config_keys() (in module httk.workflow.configuration) setting() (httk.workflow.Attempt method) (httk.workflow.sdk.Attempt method) 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) severity (httk.workflow.supervision.Diagnostic attribute) sha256 (httk.workflow.RunnerRef attribute) (httk.workflow.sdk.RunnerRef attribute) (httk.workflow.vasp.PotcarChoice attribute) sign_document() (in module httk.workflow.configuration) signature_digest() (in module httk.workflow.configuration) source (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) SourceEvent (class in httk.workflow.supervision) sources (httk.workflow.supervision.CheckerSpec attribute) spawn() (httk.workflow.Attempt method) (httk.workflow.sdk.Attempt method) species (httk.workflow.vasp.PoscarHeader attribute) (httk.workflow.vasp.PotcarChoice attribute) split_remote() (in module httk.workflow.adapters) split_settings() (in module httk.workflow.adapters) stage_cwl_inputs() (in module httk.workflow.compat.cwl) STAGED_DIRECTORY (in module httk.workflow.compat.cwl) started_at (httk.workflow.protocol.StateFrame property) (httk.workflow.supervision.ProcessReport attribute) 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) status (httk.workflow.hygiene.Finding 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.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.workflow.supervision.Diagnostic attribute) store_credentials() (in module httk.workflow.adapters) store_name (httk.workflow.scaffold.JobTemplate property) stored_digest (httk.workflow.protocol.JobDefinition attribute) structure_files() (in module httk.workflow.scaffold) STRUCTURE_PATTERNS (in module httk.workflow.scaffold) structure_tag() (in module httk.workflow.scaffold) 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) 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.workflow.scaffold.JobTemplate attribute) (httk.workflow.scaffold.TemplateProvider attribute) (httk.workflow.supervision.Diagnostic attribute) SUPPORTED_EXTENSIONS (in module httk.workflow.protocol) SUPPORTED_KINDS (in module httk.workflow.adapter_protocol) T tag (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) TaskManager (class in httk.workflow) template (httk.workflow.compat.cwl.ScaffoldedJob attribute) (httk.workflow.compat.pwd.ScaffoldedJob attribute) (httk.workflow.scaffold.ScaffoldedJob attribute) (httk.workflow.ScaffoldedJob attribute) template_provider() (in module httk.workflow.scaffold) TemplateProvider (class in httk.workflow.scaffold) TERMINAL_KINDS (in module httk.workflow.protocol) termination (httk.workflow.supervision.ProcessReport attribute) 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) titel (httk.workflow.vasp.PotcarChoice attribute) TMP_MAXIMUM_AGE_SECONDS (in module httk.workflow.hygiene) to_base36() (in module httk.workflow.protocol) total_attempts (httk.workflow.protocol.AttemptContext attribute) (httk.workflow.protocol.StateFrame property) (httk.workflow.runtime.AttemptContext attribute) transaction (httk.workflow.protocol.ReplayableWorkdirBatch attribute) transaction() (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) transition() (httk.workflow.compat.cwl.Workspace method) (httk.workflow.compat.pwd.Workspace method) (httk.workflow.Workspace method) TransitionLostError, [1], [2] trash_days (httk.workflow.protocol.RetentionPolicy attribute) trusted (httk.workflow.manifests.ManifestVerification property) trusted_keys (httk.workflow.manifests.ManifestVerification attribute) U unclean_restart (httk.workflow.protocol.StateFrame property) 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) 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] 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) 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_TRUSTED (in module httk.workflow.manifests) VALID_UNKNOWN_KEY (in module httk.workflow.manifests) validate() (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_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_pwd_document() (in module httk.workflow.compat.pwd) 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) 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) verdict (httk.workflow.manifests.ManifestVerification attribute) VERDICT_EXIT_CODES (in module httk.workflow.manifests) verify_document() (in module httk.workflow.configuration) 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 (httk.workflow.compat.pwd.PwdDocument property) 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) W walk_markers() (httk.workflow.compat.cwl.Workspace method) (httk.workflow.compat.pwd.Workspace method) (httk.workflow.Workspace method) warnings (httk.workflow.compat.cwl.CwlNotes attribute) (httk.workflow.compat.cwl.ImportedCwl attribute) 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] wrapper (httk.workflow.compat.v1.V1RunnerBackend attribute) write() (httk.workflow.supervision.ProcessReport method) (httk.workflow.vasp.VaspRunReport method) write_automatic_kpoints() (in module httk.workflow.vasp) write_config() (in module httk.workflow.configuration) writer (httk.workflow.TaskManager attribute) writer_id (httk.workflow.protocol.JournalFrame attribute)