Analysis Configuration#
- pydantic model dpeva.config.AnalysisConfig[源代码]#
Configuration for Analysis Workflow (Post-processing).
- field allow_ref_energy_lstsq_completion: bool = False#
Whether to fit missing element reference energies with least squares when provided ref_energies is incomplete.
- field config_path: Path | None = None#
Path to configuration file for Slurm self-submission.
- field data_path: Path | None = None#
Path to original dataset (for robust composition loading).
- field dataset_dir: Path | None = None#
Path to dataset directory for dataset analysis mode.
- field enable_cohesive_energy: bool = True#
Whether to enable cohesive energy statistics and plotting.
- field enhanced_parity_renderer: Literal['auto', 'scatter', 'hexbin'] = 'auto'#
Renderer policy for enhanced parity main panels. 'auto' keeps quantity-aware defaults, while 'scatter' and 'hexbin' force the same main renderer across enhanced parity plots.
- field mode: Literal['model_test', 'dataset'] = 'model_test'#
Analysis mode.
- field output_dir: Path = PosixPath('analysis')#
Output directory for analysis results.
- field plot_level: Literal['basic', 'full'] = 'full'#
Plot output level. 'basic' keeps the daily core scope (parity, single distributions, error distributions, dataset element statistics), while 'full' adds publication/supplement plots (enhanced parity, overlay, with_error, and dataset cohesive-energy distribution when available).
- field ref_energies: Dict[str, float] [Optional]#
Reference energies per element for cohesive energy calculation.
- field result_dir: Path | None = None#
Path to DP test results directory.
- field results_prefix: str = 'results'#
Prefix of DP test result files (must match inference results_prefix).
- field slow_plot_threshold_seconds: float = 60.0#
Warning threshold for single plot elapsed time in seconds.
- field submission: SubmissionConfig [Optional]#
Submission configuration.
- field type_map: List[str] | None = None#
Atom type map (e.g. ['Fe', 'C']). Required for model_test mode when data_path is not provided.