In [1]:

    

from matplotlib import pylab as plt
import matplotlib
import numpy as np
import sys,os

matplotlib.rc('font', size=14)
matplotlib.rc('figure', figsize=(10, 12), dpi=300)
fig = plt.figure()
plt.clf()
plt.subplots_adjust(left=0.18, wspace=0.25, hspace=0.25,bottom=0.13, top=0.91)
ax1 = fig.add_subplot(111)


    

In [39]:

    

data1=np.genfromtxt("data2-3-pote.xvg")
data2=np.genfromtxt("data2-4-pote.xvg")
data3=np.genfromtxt("data2-3-beta.xvg")
data4=np.genfromtxt("data2-4-beta.xvg")


    

In [36]:

    

natoms=134400
plt.title("Eqed PotEng vs Temp")
plt.ylabel(r"Temperature $K$")
plt.xlabel(r"Potential Energy $Kcal/mol$")
plt.plot(data1[:,1]/natoms,data1[:,0],"ro--",markeredgecolor="r",markerfacecolor="None",
         markersize=8,markeredgewidth=1.5,label="solid-->liquid")
plt.plot(data2[:,1]/natoms,data2[:,0],"bs--",markeredgecolor="b",markerfacecolor="None",
         markersize=8,markeredgewidth=1.5,label="liquid-->solid")
plt.legend(loc='upper left',numpoints=1,markerscale=.8,
           fancybox=True,fontsize="small")
plt.show()
#plt.savefig("pote_ice_ih.png",dpi=72)


    

In [50]:

    

natoms=134400
#plt.title("Eqed PotEng vs Temp")
plt.ylabel(r"$\beta_s(H)$")
plt.xlabel(r"H/N $Kcal/mol$")
plt.plot(data1[:,1]/natoms,data3[:,1],"ro--",markeredgecolor="r",markerfacecolor="None",
         markersize=8,markeredgewidth=1.5,label="solid-->liquid")
plt.plot(data2[:,1]/natoms,data4[:,1],"bs--",markeredgecolor="b",markerfacecolor="None",
         markersize=8,markeredgewidth=1.5,label="liquid-->solid")
plt.legend(loc='upper left',numpoints=1,markerscale=.8,
           fancybox=True,fontsize="small")
#plt.show()
plt.savefig("beta_H.png",dpi=72)


    

In [49]:

    

newdata=data1+0
newdata[:,0],newdata[:,1]=data1[:,1]/natoms,data3[:,1]
np.savetxt('line1.xvg',newdata)
newdata=data2+0
newdata[:,0],newdata[:,1]=data2[:,1]/natoms,data4[:,1]
np.savetxt('line2.xvg',newdata)