etomica.virial.simulations

Class VirialAlkaneEHTest

java.lang.Object

etomica.virial.simulations.VirialAlkaneEHTest

public class VirialAlkaneEHTest
extends java.lang.Object

Mayer sampling simulation for alkanes using the TraPPE-Explicit Hydrogen force field. M.G. Martin and J.I. Siepmann, "Transferable Potentials for Phase Equilibria. 3. Explicit-Hydrogen Description of Normal Alkanes, 1999

Nested Class Summary

Nested Classes

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

Constructor Summary

Constructors

Constructor and Description
VirialAlkaneEHTest()

Method Summary

Modifier and Type	Method and Description
static ClusterBonds[]	append(ClusterBonds[] inArray, ClusterBonds[] newBonds)
static double[]	append(double[] inArray, double[] newWeights)
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

VirialAlkaneEHTest

public VirialAlkaneEHTest()

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)

append

public static ClusterBonds[] append(ClusterBonds[] inArray,
                                    ClusterBonds[] newBonds)

append

public static double[] append(double[] inArray,
                              double[] newWeights)