Package etomica.virial.simulations

Class VirialN2AlkaneUAMix

java.lang.Object

etomica.virial.simulations.VirialN2AlkaneUAMix

public class VirialN2AlkaneUAMix
extends java.lang.Object

Mayer sampling simulation for N2(rigid, TraPPE)-alkanes(TraPPE-UA) mixture Martin and Siepmann, JPC(B) 102, 2569-2577 (1998) eovererr can be used cross virial coefficients Using VirialDiagramMix2 to generate diagrams see "VirialN2AlkaneUARigid" B11 code(use rigid mix diagram) 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	VirialN2AlkaneUAMix.VirialMixParam	Inner class for parameters

Constructor Summary

Constructors

Constructor	Description
VirialN2AlkaneUAMix()

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

VirialN2AlkaneUAMix

public VirialN2AlkaneUAMix()

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)