aiida_yambo.workflows.utils.predictor_1D

Module Contents

Classes

The_Predictor_1D

Class to analyse the convergence behaviour of a system

Functions

create_grid_1D([edges, delta, alpha, add, var, shift])

aiida_yambo.workflows.utils.predictor_1D.create_grid_1D(edges=[], delta=[], alpha=1 / 3, add=[], var=['BndsRnXp'], shift=0)

class aiida_yambo.workflows.utils.predictor_1D.The_Predictor_1D(**kwargs)

Class to analyse the convergence behaviour of a system using the new algorithm.

fit_space_1D(fit=False, alpha=1, beta=1, reference=None, verbose=True, plot=False, dim=100, b=None, g=None, save=False, thr_fx=5e-05)

determine_next_calculation(overconverged_values=[], plot=False, reference=None, save=False)

check_the_point(old_hints={})

analyse(old_hints={}, reference=None, plot=False, save_fit=False, save_next=False, colormap='viridis', thr_fx=5e-05)