energy
Class FDPoissonBoltzmann_Boundary

java.lang.Object
  energy.FDPoissonBoltzmann
      energy.FDPoissonBoltzmann_Boundary

public class FDPoissonBoltzmann_Boundary

extends FDPoissonBoltzmann

Field Summary

(package private) double	PI
(package private) double	tot_charge The PoissonBoltzmann class constructor.

Fields inherited from class energy.FDPoissonBoltzmann

atoms, debug, epsCgrid, epsIgrid, epsJgrid, epsKgrid, epssolute, epssolvent, GPX, GPXGPY, GPXGPYGPZ, GPY, GPZ, gridspacing, gridstart, havephi, iccg, kappa, PBboundary, PBcrgGrid, PBeps, phigrid, rhogrid, sys

Constructor Summary

FDPoissonBoltzmann_Boundary(Particles atoms, SimSystem sys)

FDPoissonBoltzmann_Boundary(Particles atoms, SimSystem sys, double epssolvent)

Method Summary

protected void	DebyeHueckel(double gridspacing, double[] gridstart, double kappa, double[] rhogrid)
protected void	setboundarySolvent(double epssolv, double[] epsCgrid)

Methods inherited from class energy.FDPoissonBoltzmann

addParticles, dGelec, getgridstart, getpotential, gridcheck, index, setpermittivity, setupGrid, solveforpotential

Methods inherited from class java.lang.Object

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

Field Detail

tot_charge

double tot_charge

The PoissonBoltzmann class constructor.

PI

double PI

Constructor Detail

FDPoissonBoltzmann_Boundary

public FDPoissonBoltzmann_Boundary(Particles atoms,
                                   SimSystem sys)

FDPoissonBoltzmann_Boundary

public FDPoissonBoltzmann_Boundary(Particles atoms,
                                   SimSystem sys,
                                   double epssolvent)

Method Detail

DebyeHueckel

protected void DebyeHueckel(double gridspacing,
                            double[] gridstart,
                            double kappa,
                            double[] rhogrid)

setboundarySolvent

protected void setboundarySolvent(double epssolv,
                                  double[] epsCgrid)