Package etomica.interfacial

Class ConfigurationLammps

java.lang.Object

etomica.interfacial.ConfigurationLammps

All Implemented Interfaces:

Configuration

public class ConfigurationLammps
extends java.lang.Object
implements Configuration

Field Summary

Fields

Modifier and Type	Field	Description
protected java.lang.String	filename
protected double	Lxy
protected Vector	shift
protected Space	space
protected ISpecies[]	species
protected double	topPadding
protected double	zMax

Constructor Summary

Constructors

Constructor	Description
ConfigurationLammps(Space space, java.lang.String filename, ISpecies topWall, ISpecies bottomWall, ISpecies fluid)

Method Summary

Modifier and Type	Method	Description
double	getLxy()
Vector	getShift()
void	initializeCoordinates(Box box)	Defines the placement of the molecules.
void	setTopPadding(double newTopPadding)

Methods inherited from class java.lang.Object

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

Field Detail

space

protected final Space space

filename

protected final java.lang.String filename

species

protected final ISpecies[] species

shift

protected Vector shift

Lxy

protected double Lxy

topPadding

protected double topPadding

zMax

protected double zMax

Constructor Detail

ConfigurationLammps

public ConfigurationLammps(Space space,
                           java.lang.String filename,
                           ISpecies topWall,
                           ISpecies bottomWall,
                           ISpecies fluid)

Method Detail

setTopPadding

public void setTopPadding(double newTopPadding)

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

getShift

public Vector getShift()

getLxy

public double getLxy()