Package etomica.normalmode

Class SimUmbrella

java.lang.Object

etomica.simulation.Simulation

etomica.normalmode.SimUmbrella

public class SimUmbrella
extends Simulation

Simulation to sample Umbrella Sampling

Nested Class Summary

Nested Classes

Modifier and Type	Class	Description
static class	SimUmbrella.SimBennetParam

Field Summary

Fields

Modifier and Type	Field	Description
Basis	basis
Boundary	boundary
Box	box
CoordinateDefinition	coordinateDefinition
IntegratorMC	integrator
double	latticeEnergy
MeterPotentialEnergy	meterEnergy
MeterHarmonicEnergy	meterHarmonicEnergy
MCMoveAtomCoupledUmbrella	move
int[]	nCells
NormalModes	normalModes
PotentialMasterMonatomic	potentialMasterMonatomic
Primitive	primitive
double	refPref
SpeciesGeneral	species

Fields inherited from class etomica.simulation.Simulation

eventManager, random, seeds, space

Constructor Summary

Constructors

Constructor	Description
SimUmbrella(Space _space, int numAtoms, double density, double temperature, java.lang.String filename, int exponent)

Method Summary

Modifier and Type	Method	Description
double	getRefPref()
static void	main(java.lang.String[] args)
void	setRefPref(double refPref)

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Methods inherited from class etomica.simulation.Simulation

addBox, addSpecies, box, getBox, getBoxCount, getBoxes, getController, getEventManager, getIntegrator, getRandom, getRandomSeeds, getSpace, getSpecies, getSpeciesCount, getSpeciesList, makeBox, makeBox, makeUniqueElementSymbol, removeBox, setRandom, species

Field Detail

integrator

public IntegratorMC integrator

box

public Box box

boundary

public Boundary boundary

basis

public Basis basis

species

public SpeciesGeneral species

normalModes

public NormalModes normalModes

nCells

public int[] nCells

coordinateDefinition

public CoordinateDefinition coordinateDefinition

primitive

public Primitive primitive

potentialMasterMonatomic

public PotentialMasterMonatomic potentialMasterMonatomic

latticeEnergy

public double latticeEnergy

meterHarmonicEnergy

public MeterHarmonicEnergy meterHarmonicEnergy

meterEnergy

public MeterPotentialEnergy meterEnergy

refPref

public double refPref

move

public MCMoveAtomCoupledUmbrella move

Constructor Detail

SimUmbrella

public SimUmbrella(Space _space,
                   int numAtoms,
                   double density,
                   double temperature,
                   java.lang.String filename,
                   int exponent)

Method Detail

main

public static void main(java.lang.String[] args)

Parameters:

args -

getRefPref

public double getRefPref()

setRefPref

public void setRefPref(double refPref)