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from ase.md.velocitydistribution import MaxwellBoltzmannDistribution
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from ase.lattice.cubic import FaceCenteredCubic
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atoms = FaceCenteredCubic(size=(50,50,50), symbol="Cu", pbc=False)


    		
  

  

  

    
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print "Number of atoms:", len(atoms)


    		
  

  

  

    
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MaxwellBoltzmannDistribution(atoms, 0.1)


    		
  

  

  

    
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temp = atoms.get_kinetic_energy() / (1.5 * len(atoms))


    		
  

  

  

    
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print "Temperature", temp, " (should be 0.1)"


    		
  

  

  

    
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assert abs(temp - 0.1) < 1e-3