Example #1
0
 def run(self, Emax):
     self.Emax = Emax
     res = Result()
     res.mciter = 100
     res.nsteps = 100
     res.naccept = 70
     res.x = self.system.get_random_configuration_Emax(self.Emax)
     res.energy = self.pot.getEnergy(res.x)
     return res
Example #2
0
 def run(self, Emax):
     self.Emax = Emax
     res = Result()
     res.mciter = 100
     res.nsteps = 100
     res.naccept = 70
     res.x = self.system.get_random_configuration_Emax(self.Emax)
     res.energy = self.pot.getEnergy(res.x)
     return res