Package etomica.normalmode

Class CalcHarmonicA

java.lang.Object

etomica.normalmode.CalcHarmonicA

public class CalcHarmonicA
extends java.lang.Object

Convenience class to calculate the Helmholtz free energy based on the normal mode description of the system with harmonic springs governing the system's exploration of the modes. For derivation of harmonic free energy, see http://rheneas.eng.buffalo.edu/~andrew/harmonicF.pdf

Constructor Summary

Constructors

Constructor	Description
CalcHarmonicA()

Method Summary

Modifier and Type	Method	Description
static double	doit(NormalModes normalModes, int D, double temperature, int numMolecules)
static void	main(java.lang.String[] args)

Methods inherited from class java.lang.Object

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

Constructor Detail

CalcHarmonicA

public CalcHarmonicA()

Method Detail

main

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

doit

public static double doit(NormalModes normalModes,
                          int D,
                          double temperature,
                          int numMolecules)