Package etomica.virial

Class ConfigurationClusterWertheimGCPM

java.lang.Object

etomica.virial.ConfigurationCluster

etomica.virial.ConfigurationClusterWertheimGCPM

All Implemented Interfaces:

Configuration

public class ConfigurationClusterWertheimGCPM
extends ConfigurationCluster

See Also:

Serialized Form

Field Summary

Fields

Modifier and Type	Field	Description
protected PNWaterGCPMThreeSite	associationPotential
protected PNWaterGCPMThreeSite	associationPotential2
protected PNWaterGCPMThreeSite	associationPotential3
protected double	diagramIndex
protected PNWaterGCPMThreeSite	nonAssociationPotential
protected IRandom	random

Fields inherited from class etomica.virial.ConfigurationCluster

space

Constructor Summary

Constructors

Constructor	Description
ConfigurationClusterWertheimGCPM(Space _space, IRandom random, PNWaterGCPMThreeSite associationPotential)
ConfigurationClusterWertheimGCPM(Space _space, IRandom random, PNWaterGCPMThreeSite associationPotential, PNWaterGCPMThreeSite associationPotential2)
ConfigurationClusterWertheimGCPM(Space _space, IRandom random, PNWaterGCPMThreeSite associationPotential, PNWaterGCPMThreeSite associationPotential2, double diagramIndex)
ConfigurationClusterWertheimGCPM(Space _space, IRandom random, PNWaterGCPMThreeSite associationPotential, PNWaterGCPMThreeSite associationPotential2, PNWaterGCPMThreeSite associationPotential3)

Method Summary

Modifier and Type	Method	Description
void	association(MoleculePair pair, Box box)
void	association2(MoleculePair pair, Box box)
void	association3(MoleculePair pair, Box box)
void	association4(MoleculePair pair, MoleculePair pair2, Box box)
void	association5(MoleculePair pair, MoleculePair pair2, Box box)
void	association6(MoleculePair pair, MoleculePair pair2, Box box)
void	initializeCoordinates(Box box)	Defines the placement of the molecules.
void	initializeCoordinates2(Box box)
void	initializeCoordinates3(Box box)
void	initializeCoordinates4(Box box)
void	initializeCoordinates5(Box box)
void	initializeCoordinatesER(Box box)
void	translation(double[] d, double[] e, Box box)

Methods inherited from class java.lang.Object

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

Field Detail

random

protected IRandom random

associationPotential

protected PNWaterGCPMThreeSite associationPotential

associationPotential2

protected PNWaterGCPMThreeSite associationPotential2

associationPotential3

protected PNWaterGCPMThreeSite associationPotential3

nonAssociationPotential

protected PNWaterGCPMThreeSite nonAssociationPotential

diagramIndex

protected double diagramIndex

Constructor Detail

ConfigurationClusterWertheimGCPM

public ConfigurationClusterWertheimGCPM(Space _space,
                                        IRandom random,
                                        PNWaterGCPMThreeSite associationPotential)

ConfigurationClusterWertheimGCPM

public ConfigurationClusterWertheimGCPM(Space _space,
                                        IRandom random,
                                        PNWaterGCPMThreeSite associationPotential,
                                        PNWaterGCPMThreeSite associationPotential2)

ConfigurationClusterWertheimGCPM

public ConfigurationClusterWertheimGCPM(Space _space,
                                        IRandom random,
                                        PNWaterGCPMThreeSite associationPotential,
                                        PNWaterGCPMThreeSite associationPotential2,
                                        PNWaterGCPMThreeSite associationPotential3)

ConfigurationClusterWertheimGCPM

public ConfigurationClusterWertheimGCPM(Space _space,
                                        IRandom random,
                                        PNWaterGCPMThreeSite associationPotential,
                                        PNWaterGCPMThreeSite associationPotential2,
                                        double diagramIndex)

Method Detail

initializeCoordinates

public void initializeCoordinates(Box box)

Description copied from interface: Configuration

Defines the placement of the molecules. Atoms in all lists are considered for placement. Subclasses define the specific algorithm for placement, and for interpretation of the different lists. Some subclasses will simply place all atoms as if they are in a single list, while others will place atoms in different lists in different ways, for example to form a lattice appropriate to a compound (i.e., a solid-box mixture).

Specified by:

initializeCoordinates in interface Configuration

Overrides:

initializeCoordinates in class ConfigurationCluster

See Also:

Configuration.initializeCoordinates(etomica.box.Box)

initializeCoordinatesER

public void initializeCoordinatesER(Box box)

initializeCoordinates2

public void initializeCoordinates2(Box box)

initializeCoordinates3

public void initializeCoordinates3(Box box)

initializeCoordinates4

public void initializeCoordinates4(Box box)

initializeCoordinates5

public void initializeCoordinates5(Box box)

translation

public void translation(double[] d,
                        double[] e,
                        Box box)

association

public void association(MoleculePair pair,
                        Box box)

association2

public void association2(MoleculePair pair,
                         Box box)

association3

public void association3(MoleculePair pair,
                         Box box)

association4

public void association4(MoleculePair pair,
                         MoleculePair pair2,
                         Box box)

association5

public void association5(MoleculePair pair,
                         MoleculePair pair2,
                         Box box)

association6

public void association6(MoleculePair pair,
                         MoleculePair pair2,
                         Box box)