diagnostics
Small diagnostic summaries for MD results.
import mlx_atomistic.diagnostics
Functions
Section titled “Functions”summarize_md_result
Section titled “summarize_md_result”def summarize_md_result(result: Any, *, ensemble: str | None = None) -> dict[str, Any]Return notebook- and CLI-friendly scalar diagnostics for an MD result.
Parameters
| Name | Type | Default | Description |
|---|---|---|---|
result | Any | ||
ensemble | str | None | None |
Returns
dict[str, Any]