Package etomica.virial

Class B3ForSphericallySymmetricU

java.lang.Object

etomica.virial.B3ForSphericallySymmetricU

public class B3ForSphericallySymmetricU
extends java.lang.Object

Compute B3 for a spherically symmetric potential to within a given tolerance, specified with getConvergece(), by either FFT or FFT and one layer of quadrature.

Nested Class Summary

Nested Classes

Modifier and Type	Class	Description
static class	B3ForSphericallySymmetricU.DampingParams

Field Summary

Fields

Modifier and Type	Field	Description
protected static double	JPerHartree
protected static double	k

Constructor Summary

Constructors

Constructor	Description
B3ForSphericallySymmetricU()

Method Summary

Modifier and Type	Method	Description
static double[]	computeB(double[] fr, int N, double r_max, boolean allFFT)
static double	computeB2QM(Potential2SoftSpherical p2, double temp)
static double[]	getConvergence(Potential2SoftSpherical p2, int power, double r_max, double temp, boolean printapalooza, boolean allFFT)
static double[]	getfr(Potential2SoftSpherical p2, int N, double del_r, double temp)
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

Field Detail

k

protected static double k

JPerHartree

protected static double JPerHartree

Constructor Detail

B3ForSphericallySymmetricU

public B3ForSphericallySymmetricU()

Method Detail

main

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

computeB

public static double[] computeB(double[] fr,
                                int N,
                                double r_max,
                                boolean allFFT)

computeB2QM

public static double computeB2QM(Potential2SoftSpherical p2,
                                 double temp)

getConvergence

public static double[] getConvergence(Potential2SoftSpherical p2,
                                      int power,
                                      double r_max,
                                      double temp,
                                      boolean printapalooza,
                                      boolean allFFT)

getfr

public static double[] getfr(Potential2SoftSpherical p2,
                             int N,
                             double del_r,
                             double temp)