Package etomica.virial.cluster

Class Standard

java.lang.Object

etomica.virial.cluster.Standard

public final class Standard
extends java.lang.Object

Field Summary

Fields

Modifier and Type	Field	Description
static int[][]	B2
static int[][]	C3
static int[][]	D4
static int[][]	D5
static int[][]	D6

Method Summary

Modifier and Type	Method	Description
static double	B10HS(double sigma)
static double	B11HS(double sigma)
static double	B12HS(double sigma)
static double	B2HS(double sigma)
static double	B2SW(double sigma, double lambda, double ekT)
static double	B3HS(double sigma)
static double	B3SW(double sigma, double lambda, double ekT)
static double	B4HS(double sigma)
static double	B5HS(double sigma)
static double	B6HS(double sigma)
static double	B7HS(double sigma)
static double	B8HS(double sigma)
static double	B9HS(double sigma)
static double	BHS(int n, double sigma)	Returns the nth virial coefficient for hard spheres of diameter sigma.
static int[][]	chain(int n)	Returns a chain of bonds, {{0,1},{1,2},...{n-2,n-1}}
static int[][]	full(int n)	Returns a full set of bonds, such that each of the n points is joined to each of the others.
static int[][]	full(int n, int first)	Returns a full set of bonds, such that each of the n points is joined to each of the others; starts labeling of point using the given index .
static void	main(java.lang.String[] args)
static int[][]	product(int[] iSet)	Prepares a set of bond pairs for a clusters formed from a disconnected set of fully connected subclusters.
static int[][]	ring(int n)	Returns a ring of bonds, {{0,1},{1,2},...{n-2,n-1},{n-1,0}}
static double	ringHS(int nPoints)	Return integral for ring of hard spheres of size nPoints
static ClusterAbstract	virialCluster(int nBody, MayerFunction f, boolean usePermutations, MayerFunction e, boolean uniqueOnly)
static ClusterAbstract	virialClusterMixture(int nBody, MayerFunction[][] f, MayerFunction[][] e, int[] nTypes)
static ClusterSumPolarizable	virialClusterPolarizable(int nBody, MayerFunction f, boolean usePermutations, boolean uniqueOnly)
static ClusterAbstract	virialClusterXS(int nBody, MayerFunction f, boolean usePermutations, MayerFunction e, boolean uniqueOnly, int approx)
static ClusterSumNonAdditiveTrimerEnergy	virialNonAdditiveTrimerEnergy(int nBody, MayerFunction f, Potential p3NonAdd, boolean usePermutations, boolean uniqueOnly)
static ClusterAbstract	virialSeriesCluster(int nBody, MayerFunction[] f, int[] bondTypes)

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Field Detail

B2

public static final int[][] B2

C3

public static final int[][] C3

D4

public static final int[][] D4

D5

public static final int[][] D5

D6

public static final int[][] D6

Method Detail

chain

public static int[][] chain(int n)

Returns a chain of bonds, {{0,1},{1,2},...{n-2,n-1}}

Parameters:

n - number of points in chain

Returns:

int[][] array describing chain of bonds

ring

public static int[][] ring(int n)

Returns a ring of bonds, {{0,1},{1,2},...{n-2,n-1},{n-1,0}}

Parameters:

n - number of points in ring

Returns:

int[][] array describing ring of bonds

full

public static int[][] full(int n)

Returns a full set of bonds, such that each of the n points is joined to each of the others. Starts labeling points at 0.

full

public static int[][] full(int n,
                           int first)

Returns a full set of bonds, such that each of the n points is joined to each of the others; starts labeling of point using the given index . For example, full(3,2) returns {{2,3},{2,4},{3,4}}, which can be compared to full(3), which returns {{0,1},{0,2},{1,2}}

product

public static int[][] product(int[] iSet)

Prepares a set of bond pairs for a clusters formed from a disconnected set of fully connected subclusters.

Parameters:

iSet - element [k] describes the number of subclusters having k points

Returns:

int[][] the bond array built to the given specification

virialCluster

public static ClusterAbstract virialCluster(int nBody,
                                            MayerFunction f,
                                            boolean usePermutations,
                                            MayerFunction e,
                                            boolean uniqueOnly)

virialSeriesCluster

public static ClusterAbstract virialSeriesCluster(int nBody,
                                                  MayerFunction[] f,
                                                  int[] bondTypes)

virialClusterXS

public static ClusterAbstract virialClusterXS(int nBody,
                                              MayerFunction f,
                                              boolean usePermutations,
                                              MayerFunction e,
                                              boolean uniqueOnly,
                                              int approx)

virialClusterMixture

public static ClusterAbstract virialClusterMixture(int nBody,
                                                   MayerFunction[][] f,
                                                   MayerFunction[][] e,
                                                   int[] nTypes)

virialClusterPolarizable

public static ClusterSumPolarizable virialClusterPolarizable(int nBody,
                                                             MayerFunction f,
                                                             boolean usePermutations,
                                                             boolean uniqueOnly)

virialNonAdditiveTrimerEnergy

public static ClusterSumNonAdditiveTrimerEnergy virialNonAdditiveTrimerEnergy(int nBody,
                                                                              MayerFunction f,
                                                                              Potential p3NonAdd,
                                                                              boolean usePermutations,
                                                                              boolean uniqueOnly)

BHS

public static double BHS(int n,
                         double sigma)

Returns the nth virial coefficient for hard spheres of diameter sigma.

B2HS

public static double B2HS(double sigma)

B3HS

public static double B3HS(double sigma)

B4HS

public static double B4HS(double sigma)

B5HS

public static double B5HS(double sigma)

B6HS

public static double B6HS(double sigma)

B7HS

public static double B7HS(double sigma)

B8HS

public static double B8HS(double sigma)

B9HS

public static double B9HS(double sigma)

B10HS

public static double B10HS(double sigma)

B11HS

public static double B11HS(double sigma)

B12HS

public static double B12HS(double sigma)

ringHS

public static double ringHS(int nPoints)

Return integral for ring of hard spheres of size nPoints

B2SW

public static double B2SW(double sigma,
                          double lambda,
                          double ekT)

B3SW

public static double B3SW(double sigma,
                          double lambda,
                          double ekT)

main

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