51e3f9dcda
- modified all spin pairs (match nve) - correct doc min_modify - correct code max norm (square values) - added draft nvt validation
47 lines
1.2 KiB
Python
Executable File
47 lines
1.2 KiB
Python
Executable File
#!/usr/bin/env python3
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import numpy as np, pylab, tkinter
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import matplotlib.pyplot as plt
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from scipy.optimize import curve_fit
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from decimal import *
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import sys, string, os
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argv = sys.argv
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if len(argv) != 3:
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print("Syntax: ./plot_precession.py res_lammps.dat")
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sys.exit()
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dirname = os.path.join(os.getcwd(), "Feb_07")
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lammps_file = sys.argv[1]
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llg_file = sys.argv[2]
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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)
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fig = plt.figure(figsize=(8,8))
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ax1 = plt.subplot(3,1,1)
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ax2 = plt.subplot(3,1,2)
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ax3 = plt.subplot(3,1,3)
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ax1.plot(t, e_tot, 'k-', label='Total energy')
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ax1.plot(t, e_pot, 'r-', label='Potential energy')
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ax1.set_ylabel("E (eV)")
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ax1.legend(loc=3)
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ax2.plot(t, e_kin, 'b-', label='Kinetic energy')
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ax2.plot(t, e_mag, 'g-', label='Magnetic energy')
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ax2.set_ylabel("E (eV)")
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ax2.legend(loc=3)
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ax3.plot(t, temp, 'b--', label='Latt. temperature')
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ax3.plot(t, tmag, 'r--', label='Spin temperature')
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ax3.set_ylabel("T (K)")
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ax3.legend(loc=3)
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plt.xlabel('Time (in ps)')
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plt.legend()
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plt.show()
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fig.savefig(os.path.join(os.getcwd(), "nve_spin_lattice.pdf"), bbox_inches="tight")
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plt.close(fig)
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