Package etomica.virial.simulations

Class VirialCH4AlkaneEHMix

java.lang.Object

etomica.virial.simulations.VirialCH4AlkaneEHMix

public class VirialCH4AlkaneEHMix
extends java.lang.Object

Mayer sampling simulation for CH4(rigid, TraPPE-EH)-alkanes(TraPPE-EH) mixture cross virial coefficients Using VirialDiagramMix2 to generate diagrams rigid diagrams and flex diagrams are calculated respectively(Bij = Bij[flexID=-1] + Bij[flexID=1])

Nested Class Summary

Nested Classes

Modifier and Type	Class	Description
static class	VirialCH4AlkaneEHMix.VirialMixParam	Inner class for parameters

Constructor Summary

Constructors

Constructor	Description
VirialCH4AlkaneEHMix()

Method Summary

Modifier and Type	Method	Description
static java.lang.String	getSplitGraphString(java.util.Set<Graph> gSplit, VirialDiagramsMix2 flexDiagrams, boolean correction)
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

VirialCH4AlkaneEHMix

public VirialCH4AlkaneEHMix()

Method Detail

getSplitGraphString

public static java.lang.String getSplitGraphString(java.util.Set<Graph> gSplit,
                                                   VirialDiagramsMix2 flexDiagrams,
                                                   boolean correction)

main

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