#!/usr/bin/env python3 #Program fitting the exchange interaction #Model curve: Bethe-Slater function import numpy as np, pylab, tkinter import matplotlib.pyplot as plt from scipy.optimize import curve_fit from decimal import * import sys, string, os argv = sys.argv if len(argv) != 3: print("Syntax: ./plot_precession.py res_lammps.dat res_langevin.dat") sys.exit() lammps_file = sys.argv[1] langevin_file = sys.argv[2] T_lmp,S_lmp,E_lmp = np.loadtxt(lammps_file, skiprows=0, usecols=(0,2,3),unpack=True) T_lan,S_lan,E_lan = np.loadtxt(langevin_file, skiprows=0, usecols=(0,1,2),unpack=True) plt.figure() plt.subplot(211) plt.ylabel('') plt.plot(T_lmp, S_lmp, 'b-', label='LAMMPS') plt.plot(T_lan, S_lan, 'r--', label='Langevin') plt.subplot(212) plt.ylabel('E (in eV)') plt.plot(T_lmp, E_lmp, 'b-', label='LAMMPS') plt.plot(T_lan, E_lan, 'r--', label='Langevin') plt.xlabel('T (in K)') pylab.xlim([0,20.0]) plt.legend() plt.show()