ectoolkits.plots.dpmd module#

ectoolkits.plots.dpmd.get_dptest_data(e_file, f_file)[source]#
ectoolkits.plots.dpmd.get_mae(data: ndarray[Any, dtype[float64]], ref: ndarray[Any, dtype[float64]]) → float[source]#
ectoolkits.plots.dpmd.get_rmse(data: ndarray[Any, dtype[float64]], ref: ndarray[Any, dtype[float64]]) → float[source]#
ectoolkits.plots.dpmd.plot_dptest(e_file: str, f_file: str, save_name: str = 'dptest.png', return_err=False)[source]#
ectoolkits.plots.dpmd.plot_error(ax, data, pred, type='energy', title='Energy', return_err=False)[source]#