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Rep:Mod:DMS3053-9

From ChemWiki
   from matplotlib import pylab as pl
   import numpy as np
   def extract_data(file):
       data_array = np.loadtxt(file)
       temps = data_array[:,0]
       heat_cap_per_spin = data_array[:,5]
       return temps, heat_cap_per_spin


   def plotdata(file):
       file_data = extract_data(file)
       fit = np.polyfit(file_data[0], file_data[1], 11) # fit a third order polynomial
       T_min = np.min(file_data[0])
       T_max = np.max(file_data[0])
       T_range = np.linspace(T_min, T_max, 1000) #generate 1000 evenly spaced points between T_min and T_max
       fitted_C_values = np.polyval(fit, T_range) # use the fit object to generate the corresponding values of C
       pl.ylabel("Heat Capacity")
       pl.xlabel("Temperature")
       pl.ylim([0.0, 1.5])
       pl.plot(file_data[0], file_data[1], T_range, fitted_C_values)
       pl.legend(['Data', 'Polynomial fit'], loc='upper center', bbox_to_anchor=(0.5, 1.10),
             ncol=5)
       pl.show()