Пример #1
0
#Solver
from picardOZsolver import PicardOZsolver
from andersonOZsolver import AndersonOZsolver
from scipyAndersonOZsolver import ScipyAndersonOZsolver
from scipyNewtonKrylovOZsolver import ScipyNewtonKrylovOZsolver

if __name__ == '__main__':
  
  #Instantiate solver class (Picard iteration, etc.)
  #For star potential, ScipyAndersonOZsolver gives best result
  #s = PicardOZsolver(port = 0)
  #s = AndersonOZsolver(port = 0)
  s = ScipyAndersonOZsolver(port = 0)
  #s = ScipyNewtonKrylovOZsolver(port = 0)
  s.printPotentialSetterArguments()
  #s.setPotentialByName('HardSphere')
  #s.setPotentialByName('LennardJones', 0.2)
  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()