Package etomica.virial.simulations

Class VirialAlkaneFull

java.lang.Object

etomica.virial.simulations.VirialAlkaneFull

public class VirialAlkaneFull
extends java.lang.Object

Mayer sampling simulation for alkanes using the TraPPE-United Atoms force field. M.G. Martin and J.I. Siepmann, "Transferable Potentials for Phase Equilibria. 1. United-Atom Description of n-Alkanes," J. Phys. Chem. B 102, 2569-2577 (1998) modified from VirialAlkaneFlex2 so that eovererr can be used March 2013

Nested Class Summary

Nested Classes

Modifier and Type	Class	Description
static class	VirialAlkaneFull.VirialSiepmannSpheresParam	Inner class for parameters

Constructor Summary

Constructors

Constructor	Description
VirialAlkaneFull()

Method Summary

Modifier and Type	Method	Description
static java.lang.String	getSplitGraphString(java.util.Set<Graph> gSplit, VirialDiagrams 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

VirialAlkaneFull

public VirialAlkaneFull()

Method Detail

getSplitGraphString

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

main

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