ClassicalMonteCarlo Class Reference

Pre-equilibration via classical Monte Carlo. More...

#include <cmc.h>

Public Member Functions
	ClassicalMonteCarlo (PotentialBase *, PotentialBase *, MTRand &, const Container *, Array< dVec, 1 > &)
	Constructor.
	~ClassicalMonteCarlo ()
	Destructor.
void	run (uint32, bool)
	Perform the Monte Carlo equilibration. More...

Detailed Description

Pre-equilibration via classical Monte Carlo.

We perform a series of classical Monte Carlo updates with the hopes of obtaining a good classical ground state from which to initiate our quantum monte carlo from.

Definition at line 26 of file cmc.h.

Member Function Documentation

run()

void ClassicalMonteCarlo::run	(	uint32	numMCSteps,
		bool	gce
	)

Perform the Monte Carlo equilibration.

Perform the monte carlo simulation.

Definition at line 88 of file cmc.cpp.

                                                         {
 
    int numMeasure = 0;
    double x;
    for(uint32 n = 1; n < numMCSteps; n++) {
        int m = 0;
        do {
            if (gce)
                x = random.rand();
            else 
                x = 0.0;
 
            /* Perform updates */
            if (x < 1.0/3.0)
                moveParticle();
            else if (x < 2.0/3.0)
                deleteParticle();
            else
                insertParticle();
 
            /* Update observables */
            aveEnergy += energy;
            aveNumParticles += numParticles;
            aveEoN += energy/(1.0*numParticles);
            numMeasure++;
 
            m++;
        } while (m < numParticles);
 
        // if ((n % 50) == 0) 
        //    measure(numMeasure);
    }
 
    /* Update the config array */
    config.resizeAndPreserve(numParticles);
}

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The documentation for this class was generated from the following files:

• include/cmc.h
• src/cmc.cpp