Added plotTrajDimerSLD.py

Author: johanhellsvik

content/sld/DimerSLD/DimerpuSLDcoupled/inpsd.dat

@@ -62,4 +62,12 @@ do_prn_binteff  Y
 binteff_step    10
 binteff_buff    10
 
+ntraj   2
+1    10    10
+2    10    10
+
+lntraj   2
+1    10    10
+2    10    10
+
 plotenergy   1

content/sld/DimerSLD/DimerpuSLDcoupled/plotTrajDimerSLD.py

@@ -0,0 +1,57 @@
+import numpy as np
+import matplotlib.pyplot as plt
+import matplotlib as mpl
+plt.style.use('default')
+plt.rc("figure", facecolor="white")
+
+mtraj1=np.genfromtxt("trajectory.scnobase.001.1.out")
+mtraj2=np.genfromtxt("trajectory.scnobase.002.1.out")
+utraj1=np.genfromtxt("disptraj.scnobase.1.1.out")
+utraj2=np.genfromtxt("disptraj.scnobase.1.1.out")
+lattenergy=np.genfromtxt("lattenergy.scnobase.out")
+t0=0
+t1=2001
+
+# Plot the spin trajectories
+fig_mtraj = plt.figure()
+ax1 = fig_mtraj.add_subplot(111)
+ax1.plot(mtraj1[t0:t1,0],mtraj1[t0:t1,2], c='r', linestyle='--',linewidth=2.0)
+ax1.plot(mtraj1[t0:t1,0],mtraj1[t0:t1,3], c='g', linestyle='--',linewidth=2.0)
+ax1.plot(mtraj1[t0:t1,0],mtraj1[t0:t1,4], c='b', linestyle='--',linewidth=2.0)
+ax1.axis('tight')
+#plt.xlim([-12,12])
+#plt.ylim([0,80])
+plt.xticks(fontsize=16)
+plt.yticks(fontsize=16)
+plt.legend(['mx', 'my', 'mz'], fontsize=16)
+plt.show()
+fig_mtraj.savefig('figmtraj1.png', format='png', dpi=100)
+
+# Plot the displacement trajectories
+fig_utraj = plt.figure()
+ax1 = fig_utraj.add_subplot(111)
+ax1.plot(utraj1[t0:t1,0],utraj1[t0:t1,2], c='r', linestyle='--',linewidth=2.0)
+ax1.plot(utraj1[t0:t1,0],utraj1[t0:t1,3], c='g', linestyle='--',linewidth=2.0)
+ax1.plot(utraj1[t0:t1,0],utraj1[t0:t1,4], c='b', linestyle='--',linewidth=2.0)
+ax1.axis('tight')
+plt.xticks(fontsize=16)
+plt.yticks(fontsize=16)
+plt.legend(['ux', 'uy', 'uz'], fontsize=16)
+plt.show()
+fig_mtraj.savefig('figmtraj1.png', format='png', dpi=100)
+
+# Plot the energies of the SLD Hamiltonian
+fig_etraj = plt.figure()
+ax1 = fig_etraj.add_subplot(111)
+# Iter.     ld_potenrg      sd_potenrg      sld_potenrg     totpot_enrg     kin_enrg        tot_enrg       ionic temp   
+ax1.plot(lattenergy[t0:t1,0],lattenergy[t0:t1,1], c='r', linestyle='--',linewidth=2.0)
+ax1.plot(lattenergy[t0:t1,0],lattenergy[t0:t1,2], c='g', linestyle='--',linewidth=2.0)
+ax1.plot(lattenergy[t0:t1,0],lattenergy[t0:t1,3], c='b', linestyle='--',linewidth=2.0)
+ax1.plot(lattenergy[t0:t1,0],lattenergy[t0:t1,5], c='m', linestyle='--',linewidth=2.0)
+ax1.plot(lattenergy[t0:t1,0],lattenergy[t0:t1,6], c='k', linestyle='--',linewidth=2.0)
+ax1.axis('tight')
+plt.xticks(fontsize=16)
+plt.yticks(fontsize=16)
+plt.legend(['LL', 'SS', 'SSL', 'KIN', 'TOT'], fontsize=16)
+plt.show()
+fig_etraj.savefig('figetraj.png', format='png', dpi=100)