Run preparation and diagnostics

Check prepared runs and inspect stored results, provenance, and comparison reports. These helpers do not launch a simulation.

format_nebscape_setup_conversion_report	Format a structured NEBScape setup-conversion report.
format_soda_run_check_report	Format a structured SODA run-folder preflight report.
check_soda_run_folder	Preflight-check a SODA run folder without initializing SODA runtime.
format_soda_run_command_suggestion	Format a structured SODA run-command suggestion report.
suggest_soda_run_command	Suggest local, MPI, or Slurm command text for a prepared SODA run folder.
format_ezga_setup_conversion_report	Format a structured EZGA setup-conversion report.
check_nebscape_minhop_history_equivalence	Check MinHop result equivalence in a NEBScape SODA HDF5 source.
summarize_nebscape_minhop_rejections	Summarize the rejected MinHop result fraction in a NEBScape HDF5 source.
summarize_nebscape_minhop_run_modes	Summarize NEBScape search history and optimize-only finalization outcomes.
summarize_nebscape_minhop_finalization_timing	Read existing per-rank finalization timers from output/profiling.
summarize_nebscape_workflow_progress	Summarize NEBScape workflow progress, partial rows, and dependencies.
summarize_nebscape_hpc_acceptance	Return a mechanical acceptance report for a NEBScape multi-node run.
format_nebscape_hpc_acceptance_report	Format a NEBScape multi-node acceptance report.
compare_nebscape_optimize_only_native_outputs	Compare SODA optimize-only MinHop outputs with native minhop.xyz files.
format_nebscape_optimize_only_native_comparison_report	Format a SODA/native optimize-only MinHop comparison report.
compare_nebscape_native_downstream_outputs	Compare SODA downstream NEBScape endpoints with native staged artifacts.
format_nebscape_native_downstream_comparison_report	Format a SODA/native downstream endpoint comparison report.
summarize_nebscape_fairchem_runtime	Summarize Fairchem UMA runtime and calculate-metrics evidence from logs.
format_nebscape_fairchem_runtime_report	Format a Fairchem UMA runtime metrics report.
summarize_nebscape_fairchem_soda_config	Verify the SODA run source was configured for Fairchem UMA.
compare_nebscape_fairchem_config_runtime	Compare SODA Fairchem config fields with worker runtime log evidence.
summarize_nebscape_fairchem_hdf5_numeric_sanity	Check persisted NEBScape calculator-output fields for finite values.
format_nebscape_fairchem_hdf5_numeric_sanity_report	Format a Fairchem NEBScape persisted numeric-sanity report.
compare_nebscape_fairchem_native_outputs	Compare Fairchem-backed SODA NEBScape evidence with native outputs.
format_nebscape_fairchem_native_comparison_report	Format the combined Fairchem native/SODA comparison report.
summarize_nebscape_geometry_pair_preparation_logs	Summarize split NEBScape geometry-pair preparation diagnostics from logs.
check_duplicate_states	Check each state against earlier state IDs for duplicate structures.
check_duplicate_processes	Check process duplicates within each state using saddle and product equivalence.
check_ape_cluster_member_distances	Compare clustering members against independent current/earlier-cycle members.
analyze_process_product_states	Validate resolved process-to-product-state edges against process summaries.
summarize_descriptor_sampling_flags	Return counts for descriptor sampling flags, including alias-blocked rows.
summarize_descriptor_registry_provenance	Return counts for descriptor registry update/assignment cycle provenance.
format_duplicate_state_report	Format duplicate-state structure checks for terminal output.
format_duplicate_process_report	Format duplicate-process structure checks for terminal output.
format_ape_cluster_member_distance_report	Format current/earlier-cycle clustering-member distances for terminal output.
format_process_product_state_report	Format a product-edge consistency report for terminal output.
format_descriptor_sampling_flags_report	Format descriptor sampling-flag counts for terminal output.
format_descriptor_registry_provenance_report	Format descriptor registry provenance counts for terminal output.