Package etomica.virial.simulations

Class VirialTraPPEAlcohol

java.lang.Object

etomica.virial.simulations.VirialTraPPEAlcohol

public class VirialTraPPEAlcohol
extends java.lang.Object

Mayer-sampling MC simulation for methanol or ethanol using the TraPPE model: http://www.chem.umn.edu/groups/siepmann/trappe/intro.php Set species, model (with or without point charges), virial-coefficent type (B2, B3, etc.), and temperature in VirialParam() method at bottom of file. K.R. Schadel 2008

Nested Class Summary

Nested Classes

Modifier and Type	Class	Description
static class	VirialTraPPEAlcohol.VirialParam	Inner class for parameters

Field Summary

Fields

Modifier and Type	Field	Description
protected static boolean	ethanol
protected static boolean	graphics

Constructor Summary

Constructors

Constructor	Description
VirialTraPPEAlcohol()

Method Summary

Modifier and Type	Method	Description
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

Field Detail

ethanol

protected static boolean ethanol

graphics

protected static boolean graphics

Constructor Detail

VirialTraPPEAlcohol

public VirialTraPPEAlcohol()

Method Detail

main

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