targetDensity = 0.63
totalDeltaDensity = targetDensity - startDensity
density = startDensity
deltaDensity = totalDeltaDensity
decayFactor = 2.5
deltaDensity = 0.01
print "start approaching target density", targetDensity
while density < targetDensity:
#deltaDensity /= decayFactor
density += deltaDensity
print "current density", density
solver.setVolumeDensity(density)
solver.solve()
g = solver.getRDF()
solver.setStartValue(g)
#Direct calculation
print "Directly calculating RDF for target density", targetDensity
solver.setStartValue(np.zeros(solver.getNumberOfRadialSamplingPoints()) )
solver.setVolumeDensity(targetDensity)
solver.solve()
g_direct = solver.getRDF()
#Plot results
r = np.arange(solver.getNumberOfRadialSamplingPoints() ).astype('float') + 1.0
r *= solver.getDelta_r()/solver.getHardSphereRadius()
s.setPotentialByName('Star', 20)
#Define the density range to scan
densityRange = np.arange(0.3, 0.4, 0.1)
#densityRange = np.asarray([0.3])
#densityRange = np.asarray([0.5,0.5,0.5,0.5,0.5,0.5,0.5,0.5,0.5,0.5])
densityRDFdictionary = {}
#Start loop over densities and measure wall clock time
t_start = time.time()
for d in densityRange:
s.setVolumeDensity(float(d))
s.solve()
g = s.getRDF()
densityRDFdictionary[d] = g
t_stop = time.time()
#Print out benchmark
print "time used for", densityRange.size, "density parameters:", t_stop - t_start, " sec"
print "time used for one OZ run:", (t_stop - t_start)/float(densityRange.size), "seconds"
#Plot results
r = np.arange(s.getNumberOfRadialSamplingPoints() ).astype('float') + 1.0
r *= s.getDelta_r()/s.getHardSphereRadius()
for densityKey in densityRDFdictionary:
pl.plot(r, densityRDFdictionary[densityKey], label = 'RDF for d=' + str(densityKey));
