Package etomica.normalmode

Class HarmonicCrystalSsFccNxy

java.lang.Object

etomica.normalmode.HarmonicCrystalSsFccNxy

public class HarmonicCrystalSsFccNxy
extends java.lang.Object

Properties of a system of monatomic molecules occupying a lattice and interacting according to a spherically-symmetric pair potential. Properties are given by a lattice-dynamics treatment. set up to use truncated soft sphere potential and output files

Nested Class Summary

Nested Classes

Modifier and Type	Class	Description
static class	HarmonicCrystalSsFccNxy.Params

Constructor Summary

Constructors

Constructor	Description
HarmonicCrystalSsFccNxy(int[] nCells, Primitive primitive, Basis basis, Potential2SoftSpherical potential, Space _space)

Method Summary

Modifier and Type	Method	Description
double	getHelmholtzFreeEnergy(double temperature)
double	getLatticeEnergy()
int	getMaxLatticeShell()
NormalModesPotential	getNormalModes()
static void	main(java.lang.String[] args)
void	setCellDensity(double newDensity)
void	setMaxLatticeShell(int maxLatticeShell)

Methods inherited from class java.lang.Object

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

Constructor Detail

HarmonicCrystalSsFccNxy

public HarmonicCrystalSsFccNxy(int[] nCells,
                               Primitive primitive,
                               Basis basis,
                               Potential2SoftSpherical potential,
                               Space _space)

Method Detail

getNormalModes

public NormalModesPotential getNormalModes()

getLatticeEnergy

public double getLatticeEnergy()

getHelmholtzFreeEnergy

public double getHelmholtzFreeEnergy(double temperature)

setCellDensity

public void setCellDensity(double newDensity)

getMaxLatticeShell

public int getMaxLatticeShell()

setMaxLatticeShell

public void setMaxLatticeShell(int maxLatticeShell)

main

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