ectoolkits.plots.dpmd module

ectoolkits.plots.dpmd.get_dptest_data(e_file: str, f_file: str) → Tuple[ndarray[Any, dtype[float64]], ndarray[Any, dtype[float64]], ndarray[Any, dtype[float64]], ndarray[Any, dtype[float64]], ndarray[Any, dtype[float64]], ndarray[Any, dtype[float64]], ndarray[Any, dtype[float64]], ndarray[Any, dtype[float64]], int]

ectoolkits.plots.dpmd.get_mae(data: ndarray[Any, dtype[float64]], ref: ndarray[Any, dtype[float64]]) → float

ectoolkits.plots.dpmd.get_rmse(data: ndarray[Any, dtype[float64]], ref: ndarray[Any, dtype[float64]]) → float

ectoolkits.plots.dpmd.plot_dptest(e_file: str, f_file: str, save_name: str = 'dptest.png', return_err: bool = False, frc_comp: bool = False)

ectoolkits.plots.dpmd.plot_error(ax, data: ndarray[Any, dtype[ScalarType]], pred: ndarray[Any, dtype[ScalarType]], type: str = 'energy', title: str = 'Energy', return_err: bool = False) → Union[None, Tuple[float, float]]

ectoolkits.plots.dpmd.plot_model_devi(model_devi_files: List[List[str]], trust_lo: float, trust_hi: float, save_name: str = 'model_devi.png', **kwargs)