pyiron_atomistics.thermodynamics.interfacemethod.validate_convergence

pyiron_atomistics.thermodynamics.interfacemethod.validate_convergence(pr, temperature_left, temperature_next, temperature_right, enable_iteration, timestep_iter, timestep_lst, timestep, fit_range_iter, fit_range_lst, fit_range, nve_run_time_steps_iter, nve_run_time_steps_lst, nve_run_time_steps, strain_result_lst, pressure_result_lst, step_count, step_dict, boundary_value, ratio_boundary, convergence_goal, output_file='melting.json')

Parameters:

• pr

• temperature_left

• temperature_next

• temperature_right

• enable_iteration

• timestep_iter

• timestep_lst

• timestep

• fit_range_iter

• fit_range_lst

• fit_range

• nve_run_time_steps_iter

• nve_run_time_steps_lst

• nve_run_time_steps

• strain_result_lst

• pressure_result_lst

• step_count

• step_dict

• boundary_value

• ratio_boundary

• convergence_goal

• output_file

Returns: