In [1]:

    

%pylab inline


    

    




Populating the interactive namespace from numpy and matplotlib

In [21]:

    

f2 = open('rdf30dn.dat', 'r');
lines = f2.readlines();
f2.close();
k = []
for line in lines:
    p = line.split()
    if len(p) > 1:
        k.append([float(p[0]),float(p[1])]) 
g1 = np.array(k)

f2 = open('rdf169dn.dat', 'r');
lines = f2.readlines();
f2.close();
k = []
for line in lines:
    p = line.split()
    if len(p) > 1:
        k.append([float(p[0]),float(p[1])]) 
g2 = np.array(k)


    

In [23]:

    

plt.figure(figsize=(22,10), dpi=300)
plt.xlabel(r'$r,\  (\AA)$',fontsize=20)
plt.ylabel(r'$RDF$',fontsize=20)
#plt.axis([4, 7, -1,27])
plt.plot(g1[:,0],g1[:,1],'g--',label='N-N Short-Range',lw=4)
plt.plot(g2[:,0],g2[:,1],'g-',label='N-N Long-Range',lw=4)
plt.legend( title='RDF',loc='upper right')
plt.grid(True)
savefig("rdfaa1.png",bbox_inches='tight', dpi=300)
plt.show()


    

In [33]:

    

f2 = open('rdfnn45ds.dat', 'r');
lines = f2.readlines();
f2.close();
k = []
for line in lines:
    p = line.split()
    if len(p) > 1:
        k.append([float(p[0]),float(p[1])]) 
g1 = np.array(k)

f2 = open('rdfnn100ds.dat', 'r');
lines = f2.readlines();
f2.close();
k = []
for line in lines:
    p = line.split()
    if len(p) > 1:
        k.append([float(p[0]),float(p[1])]) 
g2 = np.array(k)

f2 = open('rdfni45ds.dat', 'r');
lines = f2.readlines();
f2.close();
k = []
for line in lines:
    p = line.split()
    if len(p) > 1:
        k.append([float(p[0]),float(p[1])]) 
g3 = np.array(k)

f2 = open('rdfni100ds.dat', 'r');
lines = f2.readlines();
f2.close();
k = []
for line in lines:
    p = line.split()
    if len(p) > 1:
        k.append([float(p[0]),float(p[1])]) 
g4 = np.array(k)


    

In [35]:

    

plt.figure(figsize=(22,10), dpi=300)
plt.xlabel(r'$r,\  (\AA)$',fontsize=20)
plt.ylabel(r'$RDF$',fontsize=20)
#plt.axis([4, 7, -1,27])
plt.plot(g1[:,0],g1[:,1],'g--',label='Nn-Nn Short-Range',lw=4)
plt.plot(g3[:,0],g3[:,1],'m--',label='Ni-Ni Short-Range',lw=4)
plt.plot(g2[:,0],g2[:,1],'g-',label='Nn-Nn Long-Range',lw=4)
plt.plot(g4[:,0],g4[:,1],'m-',label='Ni-Ni Long-Range',lw=4)
plt.legend( title='RDF',loc='upper right')
plt.grid(True)
savefig("rdfaa2.png",bbox_inches='tight', dpi=300)
plt.show()


    

In [26]:

    

f2 = open('rdfpol.dat', 'r');
lines = f2.readlines();
f2.close();
k = []
for line in lines:
    p = line.split()
    if len(p) > 1:
        k.append([float(p[0]),float(p[1])]) 
g1 = np.array(k)

f2 = open('rdfpolnn.dat', 'r');
lines = f2.readlines();
f2.close();
k = []
for line in lines:
    p = line.split()
    if len(p) > 1:
        k.append([float(p[0]),float(p[1])]) 
g2 = np.array(k)


    

In [28]:

    

plt.figure(figsize=(22,10), dpi=300)
plt.xlabel(r'$r,\  (\AA)$',fontsize=20)
plt.ylabel(r'$RDF$',fontsize=20)
#plt.axis([4, 7, -1,27])
plt.plot(g2[:,0],g2[:,1],'g-',label='Water-Nn Long-Range',lw=4)
plt.plot(g1[:,0],g1[:,1],'m-',label='Water-Ni Long-Range',lw=4)
plt.legend( title='Polarization',loc='upper right')
plt.grid(True)
savefig("polaris.png",bbox_inches='tight', dpi=300)
plt.show()


    

In [36]:

    

f2 = open('rdfnana.dat', 'r');
lines = f2.readlines();
f2.close();
k = []
for line in lines:
    p = line.split()
    if len(p) > 1:
        k.append([float(p[0]),float(p[1])]) 
g1 = np.array(k)

f2 = open('rdfsina.dat', 'r');
lines = f2.readlines();
f2.close();
k = []
for line in lines:
    p = line.split()
    if len(p) > 1:
        k.append([float(p[0]),float(p[1])]) 
g2 = np.array(k)

f2 = open('rdfsisi.dat', 'r');
lines = f2.readlines();
f2.close();
k = []
for line in lines:
    p = line.split()
    if len(p) > 1:
        k.append([float(p[0]),float(p[1])]) 
g3 = np.array(k)

f2 = open('rdfnana30.xvg', 'r');
lines = f2.readlines();
f2.close();
k = []
for line in lines:
    p = line.split()
    if len(p) > 1:
        k.append([float(p[0]),float(p[1])]) 
g4 = np.array(k)

f2 = open('rdfsina30.xvg', 'r');
lines = f2.readlines();
f2.close();
k = []
for line in lines:
    p = line.split()
    if len(p) > 1:
        k.append([float(p[0]),float(p[1])]) 
g5 = np.array(k)

f2 = open('rdfsisi30.xvg', 'r');
lines = f2.readlines();
f2.close();
k = []
for line in lines:
    p = line.split()
    if len(p) > 1:
        k.append([float(p[0]),float(p[1])]) 
g6 = np.array(k)


    

In [37]:

    

plt.figure(figsize=(22,10), dpi=300)
plt.xlabel(r'$r,\  (\AA)$',fontsize=20)
plt.ylabel(r'$RDF$',fontsize=20)
#plt.axis([4, 7, -1,27])
plt.plot(g4[:,0],g4[:,1],'c--',label='Na-Na Short-Range',lw=4)
plt.plot(g5[:,0],g5[:,1],'y--',label='Si-Na Short-Range',lw=4)
plt.plot(g6[:,0],g6[:,1],'r--',label='Si-Si Short-Range',lw=4)
plt.plot(g1[:,0],g1[:,1],'c-',label='Na-Na Long-Range',lw=4)
plt.plot(g2[:,0],g2[:,1],'y-',label='Si-Na Long-Range',lw=4)
plt.plot(g3[:,0],g3[:,1],'r-',label='Si-Sii Long-Range',lw=4)
plt.legend( title='RDF',loc='upper right')
plt.grid(True)
savefig("rdfaa3.png",bbox_inches='tight', dpi=300)
plt.show()


    

In [ ]: