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Errata in An Introduction to Computer Simulation Methods post and replies

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Error in IdealDemon - Feb 21, 2009 at 2:26PM
Larry Engelhardt
15 Posts

This is not actually an "error", as I initially thought that it was.  Currently the variables systemEnergyAccumulator and demonEnergyAccumulator are being updated every time that a change is proposed, rather than being updated once per MCS.  Unless the number of MCS is large, these two methods of averaging will yield different results.  The code below shows the changes that will result in data only being accumulated once per MCS.

Alternate method for IdealDemon.java:

  public void doOneMCStep() {
    for(int j = 0;j LESSTHAN N;++j) {
      int particleIndex = (int) (Math.random()*N); // choose particle at random
      double dv = (2.0*Math.random()-1.0)*delta;   // random change in velocity
      double trialVelocity = v[particleIndex]+dv;
      double dE = 0.5*(trialVelocity*trialVelocity-v[particleIndex]*v[particleIndex]);
      if(dE LESSTHANOREQUALTO demonEnergy) {
        v[particleIndex] = trialVelocity;
        acceptedMoves++;
        systemEnergy += dE;
        demonEnergy -= dE;
      }
    }
    systemEnergyAccumulator += systemEnergy;
    demonEnergyAccumulator += demonEnergy;    
    mcs++;
  }


Alternate code for IdealDemonApp.java:

    control.println("Mean Ed = "+idealGas.demonEnergyAccumulator/idealGas.mcs);
    control.println("Mean E = "+idealGas.systemEnergyAccumulator/idealGas.mcs);

Post edited February 21, 2009 at 2:53 PM EST.


Replies to Error in IdealDemon

Re: Error in IdealDemon - Feb 23 2009 10:18AM
Jan Tobochnik
1 Posts

Dear Larry,

Usually, there is no harm and usually somewhat better statistics to update as often as possible as long as you are not slowing  the simulation down significantly.

Yours,

Jan



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