Пример #1
0
#Solver
from scipyAndersonOZsolver import ScipyAndersonOZsolver

#plot
import matplotlib.pyplot as plt
import pylab as pl

if __name__ == '__main__':
  

  solver = ScipyAndersonOZsolver(port = 0)
  solver.setPotentialByName('HardSphere')
  #solver.setNumberOfIterations(10*solver.getNumberOfIterations())
  #Relaxing ConvergenceCriterion by a factor 1000
  solver.setConvergenceCriterion(1.0e3*solver.getConvergenceCriterion())
  #solver.setPotentialByName('LennardJones', 0.5)

  startDensity = 0.58
  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