if __name__ == '__main__':
closureRDFdictionary = {}
solver = ScipyAndersonOZsolver(port=0)
solver.setPotentialByName('HardSphere')
solver.setVolumeDensity(0.4)
#Default is PY
print "PY closure.."
solver.solve()
closureRDFdictionary['PY'] = solver.getRDF()
print "HNC closure.."
solver.doHNCclosure()
solver.solve()
closureRDFdictionary['HNC'] = solver.getRDF()
print "RY closure, alpha -> 0.."
solver.doRYclosure(alpha=0.0001) #Not exactly zero...
solver.solve()
closureRDFdictionary['RY alpha -> 0'] = solver.getRDF()
print "RY closure, alpha -> inf.."
solver.doRYclosure(alpha=100000.0)
solver.solve()
closureRDFdictionary['RY alpha -> inf'] = solver.getRDF()
print "RY closure, alpha = 3.0"
#last but not least a alpha in between
if __name__ == '__main__':
closureRDFdictionary = {}
solver = ScipyAndersonOZsolver(port = 0)
solver.setPotentialByName('HardSphere')
solver.setVolumeDensity(0.4)
#Default is PY
print "PY closure.."
solver.solve()
closureRDFdictionary['PY'] = solver.getRDF()
print "HNC closure.."
solver.doHNCclosure()
solver.solve()
closureRDFdictionary['HNC'] = solver.getRDF()
print "RY closure, alpha -> 0.."
solver.doRYclosure(alpha=0.0001) #Not exactly zero...
solver.solve()
closureRDFdictionary['RY alpha -> 0'] = solver.getRDF()
print "RY closure, alpha -> inf.."
solver.doRYclosure(alpha=100000.0)
solver.solve()
closureRDFdictionary['RY alpha -> inf'] = solver.getRDF()
print "RY closure, alpha = 3.0"
#last but not least a alpha in between
