Κεφάλαιο 1 - Nemertes

ΑΝΑΠΤΥΞΗ ΚΩ∆ΙΚΑ ΜΟΡΙΑΚΗΣ ∆ΥΝΑΜΙΚΗΣ
private void doInitialization()
{
//create the FCC graph
//SAFE TO RUN MULTIPLE TIMES (AFTER RESETTING)
generateRunID();
simulationParameters.material.initParticles(xNumberOfParticles, yNumberOfParticles,
zNumberOfParticles);
simulationParameters.material.createBCCGraph(particlesProxy.getParticles());
simulationResults.setTotalParticles(simulationParameters.material.numberOfParticles);
timeStart = System.currentTimeMillis();
//Assign initial velocities
for (Iterator iter = particlesProxy.getParticlesIterator(); iter.hasNext();)
{
Particle p = (Particle) iter.next();
MDFunctions.initialVelocities(p);
}
if (DEBUG)
{
System.out.println("INITIAL POSTIIONS + VELOCITIES");
System.out.println(particlesProxy.getInformation());
System.out.println("###############################################");
}
MDFunctions.calculateFixedValues(particlesProxy.getParticlesIterator());
if (DEBUG)
System.out.println("The initial velocities are: " +
simulationParameters.initialVelocities[0] + "," + simulationParameters.initialVelocities[1] +
"," + simulationParameters.initialVelocities[2]);
for (Iterator iter = particlesProxy.getParticlesIterator(); iter.hasNext();)
{
Particle p = (Particle) iter.next();
double[] initvels = p.getVelocities();
initvels[0] -= simulationParameters.initialVelocities[0];
initvels[1] -= simulationParameters.initialVelocities[1];
initvels[2] -= simulationParameters.initialVelocities[2];
p.setVelocities(initvels);
p.setInit_Vx(initvels[0]);
p.setInit_Vy(initvels[1]);
p.setInit_Vz(initvels[2]);
}
MDFunctions.calculateFixedValues(particlesProxy.getParticlesIterator());
if (DEBUG)
System.out.println("The adjusted velocities are: " +
simulationParameters.initialVelocities[0] + "," + simulationParameters.initialVelocities[1] +
"," + simulationParameters.initialVelocities[2]);
//extract the model
particlesProxy.extractCompleteModel(runID + " - Start.csv");
currentPhase = Phase.equilibration;
}
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