#!/usr/bin/env python3 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") sys.exit() dirname = os.path.join(os.getcwd(), "Feb_07") lammps_file = sys.argv[1] llg_file = sys.argv[2] t,tmag,temp,e_mag,e_kin,e_pot,e_tot = np.loadtxt(lammps_file,skiprows=0, usecols=(1,2,3,4,5,6,7),unpack=True) fig = plt.figure(figsize=(8,8)) ax1 = plt.subplot(3,1,1) ax2 = plt.subplot(3,1,2) ax3 = plt.subplot(3,1,3) ax1.plot(t, e_tot, 'k-', label='Total energy') ax1.plot(t, e_pot, 'r-', label='Potential energy') ax1.set_ylabel("E (eV)") ax1.legend(loc=3) ax2.plot(t, e_kin, 'b-', label='Kinetic energy') ax2.plot(t, e_mag, 'g-', label='Magnetic energy') ax2.set_ylabel("E (eV)") ax2.legend(loc=3) ax3.plot(t, temp, 'b--', label='Latt. temperature') ax3.plot(t, tmag, 'r--', label='Spin temperature') ax3.set_ylabel("T (K)") ax3.legend(loc=3) plt.xlabel('Time (in ps)') plt.legend() plt.show() fig.savefig(os.path.join(os.getcwd(), "nve_spin_lattice.pdf"), bbox_inches="tight") plt.close(fig)