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 aiida_status() (in module matmelt.core.preflight) AiidaStatus (class in matmelt.core.preflight) attach_or_submit() (in module matmelt.core.stages.calculate_runner) attempts (matmelt.core.monitor.RunningMaterial attribute) (matmelt.core.monitor.TrackedMaterial attribute) (matmelt.core.state.MaterialRecord attribute) B backend (matmelt.config.schema.StageCfg attribute) (matmelt.core.preflight.BackendHealth attribute) backend_healthy (matmelt.core.monitor.StageSnapshot attribute) backend_kind (matmelt.core.monitor.StageSnapshot attribute) backend_name (matmelt.core.jobspec.Handle attribute) (matmelt.core.monitor.RunningMaterial attribute) (matmelt.core.monitor.StageSnapshot attribute) (matmelt.core.monitor.TrackedMaterial attribute) (matmelt.core.state.InFlightJob attribute) BackendCfg (class in matmelt.config.schema) BackendError BackendHealth (class in matmelt.core.preflight) backends (matmelt.config.loader.Runtime attribute) (matmelt.config.schema.Config attribute) (matmelt.core.preflight.DoctorReport attribute) build_hsd() (in module matmelt.core.stages.calculate_runner) build_jobspec() (matmelt.core.stages.base.Stage method) (matmelt.core.stages.calculate.CalculateStage method) (matmelt.core.stages.compose.ComposeStage method) (matmelt.core.stages.extract.ExtractStage method) (matmelt.core.stages.screen.ScreenStage method) (matmelt.core.stages.structure.StructureStage method) build_record() (in module matmelt.core.stages.extract_runner) build_runtime() (in module matmelt.config.loader) build_snapshot() (in module matmelt.core.monitor) build_stages() (in module matmelt.config.loader) by_state (matmelt.core.monitor.MonitorSnapshot attribute) C CALC_NAME (in module matmelt.core.stages.extract) CalculateStage (class in matmelt.core.stages.calculate) can_transition() (in module matmelt.core.state) Capabilities (class in matmelt.core.jobspec) capabilities() (matmelt.backends.base.ComputeBackend method) (matmelt.backends.local.LocalBackend method) (matmelt.backends.ssh_exec.SshExecBackend method) cart_to_frac() (in module matmelt.core.cif) cell_parameters() (in module matmelt.core.cif) cell_to_lattice() (in module matmelt.core.stages.extract_runner) cell_volume() (in module matmelt.core.cif) check_backends() (in module matmelt.core.preflight) check_import() (in module matmelt.core.preflight) check_remote_file() (matmelt.backends.ssh_exec.SshExecBackend method) check_remote_import() (matmelt.backends.ssh_exec.SshExecBackend method) chemical_formulas() (in module matmelt.core.stages.extract_runner) child_id() (in module matmelt.core.stages.structure_runner) children (matmelt.core.stages.structure_runner.GenerationReport attribute) CHILDREN_DIR (in module matmelt.core.stages.base) CHILDREN_MANIFEST (in module matmelt.core.stages.base) claim() (matmelt.core.state.StateStore method) claimed_at (matmelt.core.state.MaterialRecord attribute) classify() (in module matmelt.core.stages.screen_runner) clear_job() (matmelt.core.state.StateStore method) clock_ticks_per_s() (in module matmelt.core.cpusample) close() (matmelt.core.state.StateStore method) combination_sizes (matmelt.config.schema.RunCfg attribute) command (matmelt.core.jobspec.JobSpec attribute) complete() (matmelt.core.state.StateStore method) completion_counts_since() (matmelt.core.state.StateStore method) completions (matmelt.core.state.MaterialRecord attribute) ComposeStage (class in matmelt.core.stages.compose) COMPOSITION_NAME (in module matmelt.core.stages.structure) composition_of() (matmelt.core.stages.structure.StructureStage static method) ComputeBackend (class in matmelt.backends.base) Config (class in matmelt.config.schema) config (matmelt.config.loader.Runtime attribute) ConfigError confirm_model_download() (in module matmelt.ui.console) confirm_retry() (in module matmelt.ui.console) cores (matmelt.core.jobspec.Resources attribute) count_by_state() (matmelt.core.state.StateStore method) cpu (matmelt.core.jobspec.Capabilities attribute) cpu_percent (matmelt.core.monitor.RunningMaterial attribute) create_backend() (in module matmelt.backends.registry) create_stage() (in module matmelt.core.stages.registry) created_at (matmelt.core.state.MaterialRecord attribute) cwd (matmelt.core.jobspec.JobSpec attribute) D DEFAULT_CONFIG_FILENAME (in module matmelt.commands) description (matmelt.core.stages.base.StageInputSpec attribute) (matmelt.core.stages.base.StageOutputSpec attribute) detail (matmelt.core.jobspec.HealthStatus attribute) (matmelt.core.preflight.AiidaStatus attribute) (matmelt.core.preflight.BackendHealth attribute) (matmelt.core.preflight.ModelStatus attribute) (matmelt.core.preflight.RequirementStatus attribute) DIM_GROUPS (in module matmelt.core.stages.structure_runner) dir (matmelt.core.stages.base.WorkItem attribute) discover() (in module matmelt.core.stages.compose_runner) doctor_report() (in module matmelt.core.preflight) DoctorReport (class in matmelt.core.preflight) done_total (matmelt.core.monitor.StageSnapshot attribute) download_foundation_model() (in module matmelt.core.preflight) E earliest_created_at() (matmelt.core.state.StateStore method) elapsed_s (matmelt.core.monitor.MonitorSnapshot attribute) (matmelt.core.monitor.RunningMaterial attribute) element_combinations() (in module matmelt.core.seeds) elements (matmelt.config.schema.RunCfg attribute) elements_of() (matmelt.core.stages.compose.ComposeStage static method) enqueue() (matmelt.core.state.StateStore method) ensure_skf_folder() (in module matmelt.core.stages.calculate_runner) enumeration_report() (in module matmelt.core.preflight) EnumerationReport (class in matmelt.core.preflight) env (matmelt.core.jobspec.JobSpec attribute) error (matmelt.core.state.MaterialRecord attribute) error_examples (matmelt.core.stages.structure_runner.GenerationReport attribute) eta_s (matmelt.core.monitor.MonitorSnapshot attribute) EV_PER_A3_TO_GPA (in module matmelt.core.stages.screen_runner) exit_code (matmelt.core.jobspec.JobResult attribute) expand() (matmelt.core.state.StateStore method) extra (matmelt.core.jobspec.Capabilities attribute) (matmelt.core.jobspec.Handle attribute) extract_attempts() (in module matmelt.core.stages.calculate_runner) extract_final_geometry() (in module matmelt.core.stages.calculate_runner) ExtractStage (class in matmelt.core.stages.extract) F fail() (matmelt.core.state.StateStore method) fail_reason (matmelt.core.monitor.TrackedMaterial attribute) (matmelt.core.state.MaterialRecord attribute) fail_stage (matmelt.core.state.MaterialRecord attribute) failed (matmelt.core.monitor.StageSnapshot attribute) failures_panel() (in module matmelt.ui.monitor) fan_out (matmelt.core.stages.base.Stage attribute) (matmelt.core.stages.compose.ComposeStage attribute) (matmelt.core.stages.structure.StructureStage attribute) fetch() (matmelt.backends.base.ComputeBackend method) (matmelt.backends.local.LocalBackend method) (matmelt.backends.ssh_exec.SshExecBackend method) fetch_geometry() (in module matmelt.core.stages.cif_runner) files (matmelt.core.stages.base.StageInputSpec attribute) (matmelt.core.stages.base.StageOutputSpec attribute) final_calcjob() (in module matmelt.core.stages.cif_runner) finalize() (matmelt.core.state.StateStore method) FINALIZE_STAGE (in module matmelt.core.state) fmt_duration() (in module matmelt.ui.monitor) fmt_rate() (in module matmelt.ui.monitor) formula_id() (in module matmelt.core.stages.compose_runner) formula_sum() (in module matmelt.core.cif) found (matmelt.core.monitor.TrackedMaterial attribute) frac_to_cart() (in module matmelt.core.stages.extract_runner) fractional (matmelt.core.cif.Geometry attribute) FUNNEL_ORDER (in module matmelt.core.stages.registry) G gen_to_cif() (in module matmelt.core.cif) generate() (in module matmelt.core.stages.structure_runner) generated_at (matmelt.core.monitor.MonitorSnapshot attribute) GenerationReport (class in matmelt.core.stages.structure_runner) Geometry (class in matmelt.core.cif) GEOMETRY_NAME (in module matmelt.core.stages.calculate_runner) (in module matmelt.core.stages.cif_runner) geometry_to_cif() (in module matmelt.core.cif) get() (in module matmelt.backends.registry) (in module matmelt.core.stages.registry) (matmelt.core.state.StateStore method) gpu (matmelt.core.jobspec.Capabilities attribute) (matmelt.core.jobspec.Resources attribute) gpu_percent (matmelt.core.monitor.RunningMaterial attribute) gpu_percent_for_roots() (in module matmelt.core.cpusample) H Handle (class in matmelt.core.jobspec) handle (matmelt.core.state.InFlightJob attribute) health_check() (matmelt.backends.base.ComputeBackend method) (matmelt.backends.local.LocalBackend method) (matmelt.backends.ssh_exec.SshExecBackend method) HEALTH_PROBE_TTL_S (in module matmelt.commands.monitor) HealthStatus (class in matmelt.core.jobspec) healthy (matmelt.core.preflight.BackendHealth attribute) I id (matmelt.core.stages.base.WorkItem attribute) in_flight (matmelt.core.monitor.MonitorSnapshot attribute) in_state_s (matmelt.core.monitor.TrackedMaterial attribute) InFlightJob (class in matmelt.core.state) input_artifacts (matmelt.core.jobspec.JobSpec attribute) install_command (matmelt.core.preflight.RequirementStatus attribute) interpret_result() (matmelt.core.stages.base.Stage method) (matmelt.core.stages.calculate.CalculateStage method) (matmelt.core.stages.compose.ComposeStage method) (matmelt.core.stages.extract.ExtractStage method) (matmelt.core.stages.screen.ScreenStage method) (matmelt.core.stages.structure.StructureStage method) is_ready() (in module matmelt.core.preflight) is_terminal (matmelt.core.jobspec.JobStatus property) is_terminal() (in module matmelt.core.state) J job_id (matmelt.core.jobspec.Handle attribute) job_key (matmelt.core.monitor.RunningMaterial attribute) (matmelt.core.monitor.TrackedMaterial attribute) (matmelt.core.state.InFlightJob attribute) JobResult (class in matmelt.core.jobspec) JobSpec (class in matmelt.core.jobspec) JobStatus (class in matmelt.core.jobspec) K kind (matmelt.config.schema.BackendCfg attribute) (matmelt.core.preflight.BackendHealth attribute) known_kinds() (in module matmelt.backends.registry) known_stages() (in module matmelt.core.stages.registry) L Lattice (in module matmelt.core.cif) lattice (matmelt.core.cif.Geometry attribute) lease_timeout_s (matmelt.config.schema.PipelineCfg attribute) LEGACY_CONFIG_FILENAME (in module matmelt.commands) LIFECYCLE (in module matmelt.core.state) list_jobs() (matmelt.core.state.StateStore method) list_object_names() (in module matmelt.core.stages.cif_runner) load_batch() (in module matmelt.core.stages.cif_runner) load_composition() (in module matmelt.core.stages.structure_runner) load_config() (in module matmelt.config.loader) load_submission() (in module matmelt.core.stages.calculate_runner) LocalBackend (class in matmelt.backends.local) LocalCpuTracker (class in matmelt.core.cpusample) M MACE_CACHE_DIR (in module matmelt.core.preflight) mace_model_status() (in module matmelt.core.preflight) main() (in module matmelt.core.stages.calculate_runner) (in module matmelt.core.stages.cif_runner) (in module matmelt.core.stages.compose_runner) (in module matmelt.core.stages.extract_runner) (in module matmelt.core.stages.screen_runner) (in module matmelt.core.stages.structure_runner) material_id (matmelt.core.monitor.RunningMaterial attribute) (matmelt.core.monitor.TrackedMaterial attribute) (matmelt.core.state.MaterialRecord attribute) material_ids (matmelt.core.state.InFlightJob attribute) MaterialRecord (class in matmelt.core.state) MaterialState (class in matmelt.core.state) matmelt.backends.base module matmelt.backends.local module matmelt.backends.registry module matmelt.backends.ssh_exec module matmelt.commands module matmelt.commands.cif module matmelt.commands.doctor module matmelt.commands.init module matmelt.commands.monitor module matmelt.commands.results module matmelt.commands.retry module matmelt.commands.run module matmelt.commands.status module matmelt.commands.update module matmelt.config.loader module matmelt.config.schema module matmelt.core.cif module matmelt.core.cpusample module matmelt.core.jobspec module matmelt.core.monitor module matmelt.core.orchestrator module matmelt.core.preflight module matmelt.core.seeds module matmelt.core.stages.base module matmelt.core.stages.calculate module matmelt.core.stages.calculate_runner module matmelt.core.stages.cif_runner module matmelt.core.stages.compose module matmelt.core.stages.compose_runner module matmelt.core.stages.extract module matmelt.core.stages.extract_runner module matmelt.core.stages.registry module matmelt.core.stages.screen module matmelt.core.stages.screen_runner module matmelt.core.stages.structure module matmelt.core.stages.structure_runner module matmelt.core.state module matmelt.ui.console module matmelt.ui.monitor module matmelt.ui.monitor_live module max_angular_momentum() (in module matmelt.core.stages.calculate_runner) max_parallel (matmelt.core.jobspec.Capabilities attribute) merge_compositions() (in module matmelt.core.stages.compose_runner) META_NAME (in module matmelt.core.stages.extract) model_config (matmelt.config.schema.BackendCfg attribute) (matmelt.config.schema.Config attribute) (matmelt.config.schema.PipelineCfg attribute) (matmelt.config.schema.RunCfg attribute) (matmelt.config.schema.StageCfg attribute) ModelStatus (class in matmelt.core.preflight) module matmelt.backends.base matmelt.backends.local matmelt.backends.registry matmelt.backends.ssh_exec matmelt.commands matmelt.commands.cif matmelt.commands.doctor matmelt.commands.init matmelt.commands.monitor matmelt.commands.results matmelt.commands.retry matmelt.commands.run matmelt.commands.status matmelt.commands.update matmelt.config.loader matmelt.config.schema matmelt.core.cif matmelt.core.cpusample matmelt.core.jobspec matmelt.core.monitor matmelt.core.orchestrator matmelt.core.preflight matmelt.core.seeds matmelt.core.stages.base matmelt.core.stages.calculate matmelt.core.stages.calculate_runner matmelt.core.stages.cif_runner matmelt.core.stages.compose matmelt.core.stages.compose_runner matmelt.core.stages.extract matmelt.core.stages.extract_runner matmelt.core.stages.registry matmelt.core.stages.screen matmelt.core.stages.screen_runner matmelt.core.stages.structure matmelt.core.stages.structure_runner matmelt.core.state matmelt.ui.console matmelt.ui.monitor matmelt.ui.monitor_live module (matmelt.core.stages.base.Requirement attribute) MonitorSnapshot (class in matmelt.core.monitor) N n_elements (matmelt.core.preflight.EnumerationReport attribute) n_errors (matmelt.core.stages.structure_runner.GenerationReport attribute) n_rejected (matmelt.core.stages.structure_runner.GenerationReport attribute) name (matmelt.config.schema.RunCfg attribute) (matmelt.core.monitor.StageSnapshot attribute) (matmelt.core.stages.base.Stage property) (matmelt.core.stages.calculate.CalculateStage property) (matmelt.core.stages.compose.ComposeStage property) (matmelt.core.stages.extract.ExtractStage property) (matmelt.core.stages.screen.ScreenStage property) (matmelt.core.stages.structure.StructureStage property) needs_consent (matmelt.core.preflight.ModelStatus attribute) next_state() (in module matmelt.core.state) NonEmptyStr (in module matmelt.config.schema) note_console (in module matmelt.ui.console) O ok (matmelt.core.jobspec.HealthStatus attribute) (matmelt.core.preflight.AiidaStatus attribute) (matmelt.core.preflight.DoctorReport property) (matmelt.core.preflight.ModelStatus attribute) (matmelt.core.stages.base.StageVerdict attribute) OPTIONAL_STAGES (in module matmelt.core.stages.registry) options (matmelt.config.schema.BackendCfg attribute) (matmelt.config.schema.StageCfg attribute) Orchestrator (class in matmelt.core.orchestrator) output_artifacts (matmelt.core.jobspec.JobResult attribute) (matmelt.core.jobspec.JobSpec attribute) oversized (matmelt.core.preflight.EnumerationReport attribute) overview_panel() (in module matmelt.ui.monitor) P param_diff() (in module matmelt.core.stages.calculate_runner) parent_id (matmelt.core.state.MaterialRecord attribute) parse_cif() (in module matmelt.core.stages.extract_runner) parse_gen() (in module matmelt.core.cif) parse_pmon() (in module matmelt.core.cpusample) parse_proc_stat() (in module matmelt.core.cpusample) pass_interval_s (matmelt.config.schema.PipelineCfg attribute) per_size (matmelt.core.preflight.EnumerationReport attribute) pip_name (matmelt.core.stages.base.Requirement attribute) pipeline (matmelt.config.schema.Config attribute) pipeline_panel() (in module matmelt.ui.monitor) PipelineCfg (class in matmelt.config.schema) poll() (matmelt.backends.base.ComputeBackend method) (matmelt.backends.local.LocalBackend method) (matmelt.backends.ssh_exec.SshExecBackend method) poll_until_terminated() (in module matmelt.core.stages.calculate_runner) preflight_stages() (in module matmelt.core.preflight) print_json_payload() (in module matmelt.ui.console) print_snapshot() (in module matmelt.ui.monitor) probe_target (matmelt.backends.ssh_exec.SshExecBackend property) produces (matmelt.core.stages.base.Stage property) (matmelt.core.stages.calculate.CalculateStage property) (matmelt.core.stages.compose.ComposeStage property) (matmelt.core.stages.extract.ExtractStage property) (matmelt.core.stages.screen.ScreenStage property) (matmelt.core.stages.structure.StructureStage property) purpose (matmelt.core.stages.base.Requirement attribute) python (matmelt.core.preflight.RequirementStatus attribute) Q query() (matmelt.core.state.StateStore method) R read_object() (in module matmelt.core.stages.cif_runner) ready (matmelt.core.monitor.StageSnapshot attribute) reason (matmelt.core.stages.base.StageVerdict attribute) recent_failures (matmelt.core.monitor.MonitorSnapshot attribute) recent_failures() (matmelt.core.state.StateStore method) recent_successes (matmelt.core.monitor.MonitorSnapshot attribute) recent_successes() (matmelt.core.state.StateStore method) record_job() (matmelt.core.state.StateStore method) RECORD_NAME (in module matmelt.core.stages.extract) reduced_counts() (in module matmelt.core.stages.compose_runner) register() (in module matmelt.backends.registry) (in module matmelt.core.stages.registry) RELAXED_NAME (in module matmelt.core.stages.calculate) (in module matmelt.core.stages.extract) (in module matmelt.core.stages.screen) release() (matmelt.backends.base.ComputeBackend method) (matmelt.backends.local.LocalBackend method) (matmelt.backends.ssh_exec.SshExecBackend method) release_stale_leases() (matmelt.core.state.StateStore method) REMOTE_CPU_TTL_S (in module matmelt.core.cpusample) render_cif_export() (in module matmelt.ui.console) render_config_error() (in module matmelt.ui.console) render_doctor() (in module matmelt.ui.console) render_enumeration() (in module matmelt.ui.console) render_error() (in module matmelt.ui.console) render_init_created() (in module matmelt.ui.console) render_interrupted() (in module matmelt.ui.console) render_legacy_config_note() (in module matmelt.ui.console) render_note() (in module matmelt.ui.console) render_pass_summary() (in module matmelt.ui.console) render_results() (in module matmelt.ui.console) render_retry_preview() (in module matmelt.ui.console) render_retry_result() (in module matmelt.ui.console) render_run_header() (in module matmelt.ui.console) render_run_result() (in module matmelt.ui.console) render_snapshot() (in module matmelt.ui.monitor) render_state_materials() (in module matmelt.ui.console) render_status() (in module matmelt.ui.console) render_unready() (in module matmelt.ui.console) render_warning() (in module matmelt.ui.console) REQUIRED_KEYS (in module matmelt.core.stages.structure_runner) Requirement (class in matmelt.core.stages.base) requirement (matmelt.core.preflight.RequirementStatus attribute) requirements (matmelt.core.preflight.DoctorReport attribute) RequirementStatus (class in matmelt.core.preflight) requires (matmelt.core.stages.base.Stage property) (matmelt.core.stages.calculate.CalculateStage property) (matmelt.core.stages.compose.ComposeStage property) (matmelt.core.stages.extract.ExtractStage property) (matmelt.core.stages.screen.ScreenStage property) (matmelt.core.stages.structure.StructureStage property) reset() (matmelt.core.state.StateStore method) resolve_config_path() (in module matmelt.commands) Resources (class in matmelt.core.jobspec) resources (matmelt.core.jobspec.JobSpec attribute) RESULT_NAME (in module matmelt.core.stages.calculate) retry_budget (matmelt.config.schema.PipelineCfg attribute) run (matmelt.config.schema.Config attribute) run() (in module matmelt.core.stages.calculate_runner) (in module matmelt.core.stages.cif_runner) (matmelt.core.orchestrator.Orchestrator method) run_cif() (in module matmelt.commands.cif) run_doctor() (in module matmelt.commands.doctor) run_init() (in module matmelt.commands.init) run_live() (in module matmelt.ui.monitor_live) run_monitor() (in module matmelt.commands.monitor) run_name (matmelt.core.monitor.MonitorSnapshot attribute) run_pass() (matmelt.core.orchestrator.Orchestrator method) run_results() (in module matmelt.commands.results) run_retry() (in module matmelt.commands.retry) run_run() (in module matmelt.commands.run) run_status() (in module matmelt.commands.status) run_update() (in module matmelt.commands.update) RunCfg (class in matmelt.config.schema) RUNNER_NAME (in module matmelt.core.stages.calculate) (in module matmelt.core.stages.compose) (in module matmelt.core.stages.extract) (in module matmelt.core.stages.screen) (in module matmelt.core.stages.structure) RUNNER_PATH (in module matmelt.commands.cif) runner_python (matmelt.core.stages.base.Stage attribute) running (matmelt.core.monitor.MonitorSnapshot attribute) (matmelt.core.monitor.StageSnapshot attribute) running_panel() (in module matmelt.ui.monitor) RunningMaterial (class in matmelt.core.monitor) Runtime (class in matmelt.config.loader) runtime_requirements (matmelt.core.stages.base.Stage attribute) (matmelt.core.stages.calculate.CalculateStage attribute) (matmelt.core.stages.compose.ComposeStage attribute) (matmelt.core.stages.screen.ScreenStage attribute) (matmelt.core.stages.structure.StructureStage attribute) S sample() (matmelt.core.cpusample.LocalCpuTracker method) (matmelt.core.cpusample.UsageSampler method) sample_cpu_percents() (matmelt.backends.local.LocalBackend method) (matmelt.backends.ssh_exec.SshExecBackend method) sample_gpu_percents() (matmelt.backends.local.LocalBackend method) (matmelt.backends.ssh_exec.SshExecBackend method) SANITY (in module matmelt.core.stages.screen_runner) satisfied (matmelt.core.preflight.RequirementStatus attribute) scan_proc() (in module matmelt.core.cpusample) scratch_inputs (matmelt.core.jobspec.JobSpec attribute) screen() (in module matmelt.core.stages.screen_runner) ScreenStage (class in matmelt.core.stages.screen) seed() (matmelt.core.orchestrator.Orchestrator method) shape_attempt() (in module matmelt.core.stages.calculate_runner) shape_result() (in module matmelt.core.stages.calculate_runner) SKF_PATH_REDACTED (in module matmelt.core.stages.calculate_runner) slurm (matmelt.core.jobspec.Capabilities attribute) SPEC_FILENAME (in module matmelt.commands.update) species (matmelt.core.cif.Geometry attribute) species_from_gen() (in module matmelt.core.stages.calculate_runner) speed_per_min (matmelt.core.monitor.StageSnapshot attribute) SshExecBackend (class in matmelt.backends.ssh_exec) Stage (class in matmelt.core.stages.base) stage (matmelt.core.monitor.RunningMaterial attribute) (matmelt.core.monitor.TrackedMaterial attribute) (matmelt.core.preflight.RequirementStatus attribute) (matmelt.core.state.InFlightJob attribute) stage_backends (matmelt.config.loader.Runtime attribute) STAGE_OUTPUT_STATE (in module matmelt.core.stages.registry) StageCfg (class in matmelt.config.schema) StageError StageInputError StageInputSpec (class in matmelt.core.stages.base) StageOutputError StageOutputSpec (class in matmelt.core.stages.base) stages (matmelt.config.schema.Config attribute) (matmelt.core.monitor.MonitorSnapshot attribute) StageSnapshot (class in matmelt.core.monitor) StageVerdict (class in matmelt.core.stages.base) started_at (matmelt.core.monitor.MonitorSnapshot attribute) state (matmelt.core.monitor.TrackedMaterial attribute) (matmelt.core.state.MaterialRecord attribute) STATE_DB_FILENAME (in module matmelt.commands) StateError StateStore (class in matmelt.core.state) stderr (matmelt.core.jobspec.JobResult attribute) stdout (matmelt.core.jobspec.JobResult attribute) stop_after (matmelt.config.schema.PipelineCfg attribute) (matmelt.core.monitor.MonitorSnapshot attribute) strip_skf_paths() (in module matmelt.core.stages.calculate_runner) structure_block() (in module matmelt.core.stages.extract_runner) STRUCTURE_NAME (in module matmelt.core.stages.screen) StructureStage (class in matmelt.core.stages.structure) submit() (matmelt.backends.base.ComputeBackend method) (matmelt.backends.local.LocalBackend method) (matmelt.backends.ssh_exec.SshExecBackend method) submit_workchain() (in module matmelt.core.stages.calculate_runner) submitted_at (matmelt.core.state.InFlightJob attribute) subtree_pids() (in module matmelt.core.cpusample) subtree_total() (in module matmelt.core.cpusample) successes_panel() (in module matmelt.ui.monitor) T TEMPLATE (in module matmelt.commands.init) terminal (matmelt.core.stages.base.StageVerdict attribute) throughput_per_min (matmelt.core.monitor.MonitorSnapshot attribute) total (matmelt.core.monitor.MonitorSnapshot attribute) (matmelt.core.preflight.EnumerationReport attribute) tracked (matmelt.core.monitor.MonitorSnapshot attribute) tracked_panel() (in module matmelt.ui.monitor) TrackedMaterial (class in matmelt.core.monitor) U unary_compositions() (in module matmelt.core.stages.compose_runner) updated_at (matmelt.core.state.MaterialRecord attribute) UsageSampler (class in matmelt.core.cpusample) V validate_inputs() (matmelt.core.stages.base.Stage method) (matmelt.core.stages.calculate.CalculateStage method) (matmelt.core.stages.compose.ComposeStage method) (matmelt.core.stages.extract.ExtractStage method) (matmelt.core.stages.structure.StructureStage method) validate_outputs() (matmelt.core.stages.base.Stage method) Vector (in module matmelt.core.cif) VERDICT_NAME (in module matmelt.core.stages.screen) W walltime_s (matmelt.core.jobspec.Resources attribute) where (matmelt.core.preflight.RequirementStatus attribute) window_s (matmelt.core.monitor.MonitorSnapshot attribute) work_dir (matmelt.config.schema.RunCfg attribute) WorkItem (class in matmelt.core.stages.base) write_children() (in module matmelt.core.stages.compose_runner) write_gen() (in module matmelt.core.stages.calculate_runner) write_manifest() (in module matmelt.core.stages.structure_runner) write_record() (in module matmelt.core.stages.extract_runner) write_verdict() (in module matmelt.core.stages.screen_runner)