Package etomica.models.water

Class ConfigurationFileTIP4P

java.lang.Object

etomica.config.ConfigurationFile

etomica.models.water.ConfigurationFileTIP4P

All Implemented Interfaces:

Configuration

public class ConfigurationFileTIP4P
extends ConfigurationFile

This reads from a configuration file containing only H, H and O. The M position is determined from the others. Also, the geometry is relaxed due to the file containing limited precision.

See Also:

Serialized Form

Field Summary

Fields

Modifier and Type	Field	Description
protected boolean	isIce
protected Space	space

Fields inherited from class etomica.config.ConfigurationFile

confName

Constructor Summary

Constructors

Constructor	Description
ConfigurationFileTIP4P(java.lang.String aConfName, Space space, boolean isIce)

Method Summary

Modifier and Type	Method	Description
void	initializeCoordinates(Box box)	Defines the placement of the molecules.

Methods inherited from class etomica.config.ConfigurationFile

setPosition

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

isIce

protected boolean isIce

Constructor Detail

ConfigurationFileTIP4P

public ConfigurationFileTIP4P(java.lang.String aConfName,
                              Space space,
                              boolean isIce)

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 ConfigurationFile