From QMC
from VMCHelp import *
import numpy
import random
from VMC_template import *
import pylab
import CalcStatistics
H2=H2JastrowClass()
H2.SetParams([0.5,0.3])
H2.SetIons(SetBondLength(1.4))
coords=numpy.zeros((2,3),float)
coords[0,:]=[1.0,0.5,0.3]
coords[1,:]=[-0.2,0.1,-0.1]
energyVal=H2.WaveFunction(coords)
print "Your wavefunction is ",energyVal
print "Your local energy is ",H2.LocalEnergy(coords)
energyList=VMC(H2,100000)
print CalcStatistics.Stats(numpy.array(energyList))
pylab.plot(energyList)
pylab.savefig("JastrowEnergy.png")
pylab.show()
