import json import numpy as np import sys sys.path.append('../') from reeps import REEPS with open('multi_ree_settings.txt') as file: testing_params = json.load(file) beaker = REEPS(**testing_params) def optimizer(func, x_guess): lb = np.array([1e-1]) ub = np.array([1e1]) bounds = (lb, ub) options = {'c1': 1e-3, 'c2': 1e-3, 'w': 0.9} mini_optimizer = ps.single.global_best.GlobalBestPSO(n_particles=100, dimensions=1, options=options, bounds=bounds) f_opt, x_opt = mini_optimizer.optimize(func, iters=100) return x_opt minimizer_kwargs = {"method": 'SLSQP', "bounds": [(1e-1, 1e1)], "constraints": (), "options": {'disp': True, 'maxiter': 1000, 'ftol': 1e-6}} # est_enthalpy = beaker.fit(optimizer=optimizer) est_enthalpy = beaker.fit() print(est_enthalpy) beaker.update_xml(est_enthalpy) # beaker.parity_plot('Nd_d_eq', print_r_squared=True) print(beaker.r_squared())