Package etomica.virial.simulations

Class VirialCO2AlkaneEHMix

java.lang.Object

etomica.virial.simulations.VirialCO2AlkaneEHMix

public class VirialCO2AlkaneEHMix
extends java.lang.Object

Mayer sampling simulation for CO2(rigid, TraPPE)-alkanes(TraPPE-EH) mixture cross virial coefficients Using VirialDiagramMix2 to generate diagrams rigid diagrams and flex diagrams are calculated separately (Bij = Bij[flexID=-1] + Bij[flexID=1])

Nested Class Summary

Nested Classes

Modifier and Type	Class	Description
static class	VirialCO2AlkaneEHMix.VirialMixParam

Constructor Summary

Constructors

Constructor	Description
VirialCO2AlkaneEHMix()

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

VirialCO2AlkaneEHMix

public VirialCO2AlkaneEHMix()

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)