Package etomica.normalmode

Class HarmonicCrystal

java.lang.Object

etomica.normalmode.HarmonicCrystal

public class HarmonicCrystal
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.

Constructor Summary

Constructors

Constructor	Description
HarmonicCrystal(double rho, 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	setMaxLatticeShell(int maxLatticeShell)

Methods inherited from class java.lang.Object

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

Constructor Detail

HarmonicCrystal

public HarmonicCrystal(double rho,
                       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)

getMaxLatticeShell

public int getMaxLatticeShell()

setMaxLatticeShell

public void setMaxLatticeShell(int maxLatticeShell)

main

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