Package etomica.config

Class GrainBoundaryTiltConfiguration

java.lang.Object

etomica.config.GrainBoundaryTiltConfiguration

All Implemented Interfaces:

Configuration

public class GrainBoundaryTiltConfiguration
extends java.lang.Object
implements Configuration

Field Summary

Fields

Modifier and Type	Field	Description
protected ISpecies	fixedSpecies
protected ISpecies	mobileSpecies

Constructor Summary

Constructors

Constructor	Description
GrainBoundaryTiltConfiguration(BravaisLatticeCrystal aLatticeTOP, BravaisLatticeCrystal aLatticeBOTTOM, ISpecies[] aSpecies, double aCutoff, Space space)

Method Summary

Modifier and Type	Method	Description
ISpecies	getFixedSpecies()
ISpecies	getMobileSpecies()
void	initializeCoordinates(Box box)	Defines the placement of the molecules.
void	resetRotation()
void	setBoxSize(Box box, int[] boxMultiples)	Resizes simulation box to preserve periodic boundary conditions after rotation of lattice.
void	setFixedSpecies(ISpecies newFixedSpecies)
void	setGBplane(int[] m)	Allows a user to specify a plane for GB
void	setMobileSpecies(ISpecies newMobileSpecies)
void	setRotationBOTTOM(int axis, double aAngle)
void	setRotationTOP(int axis, double aAngle)	Sets tensor for rotation about the indicated axis (0=x,1=y,2=z) by the given angle.

Methods inherited from class java.lang.Object

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

Field Detail

fixedSpecies

protected ISpecies fixedSpecies

mobileSpecies

protected ISpecies mobileSpecies

Constructor Detail

GrainBoundaryTiltConfiguration

public GrainBoundaryTiltConfiguration(BravaisLatticeCrystal aLatticeTOP,
                                      BravaisLatticeCrystal aLatticeBOTTOM,
                                      ISpecies[] aSpecies,
                                      double aCutoff,
                                      Space space)

Method Detail

setFixedSpecies

public void setFixedSpecies(ISpecies newFixedSpecies)

setMobileSpecies

public void setMobileSpecies(ISpecies newMobileSpecies)

getFixedSpecies

public ISpecies getFixedSpecies()

getMobileSpecies

public ISpecies getMobileSpecies()

resetRotation

public void resetRotation()

setRotationTOP

public void setRotationTOP(int axis,
                           double aAngle)

Sets tensor for rotation about the indicated axis (0=x,1=y,2=z) by the given angle. Calls method from RotationTensor3D.

setRotationBOTTOM

public void setRotationBOTTOM(int axis,
                              double aAngle)

setGBplane

public void setGBplane(int[] m)

Allows a user to specify a plane for GB

setBoxSize

public void setBoxSize(Box box,
                       int[] boxMultiples)

Resizes simulation box to preserve periodic boundary conditions after rotation of lattice.

Parameters:

box -

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