← Về thư mục
skills/pymatgen/scripts/structure_analyzer.py
- minimum_periodic_distance · function · L26-L34 — def minimum_periodic_distance(structure: Any, max_sites: int) -> float | None
- site_records · function · L37-L54 — def site_records(structure: Any, limit: int) -> list[dict[str, Any]]
- symmetry_report · function · L57-L84 — def symmetry_report( structure: Any, *, symprec: float, angle_tolerance: float, ) -> dict[str, Any]
- neighbor_report · function · L87-L140 — def neighbor_report( structure: Any, *, site_limit: int, neighbor_limit: int, ) -> dict[str, Any]
- analyze_structure · function · L143-L203 — def analyze_structure(structure: Any, args: argparse.Namespace) -> dict[str, Any]
- build_parser · function · L206-L237 — def build_parser() -> argparse.ArgumentParser
- main · function · L240-L289 — def main() -> int