BALL::FDPB::Boundary Struct Reference

#include <BALL/SOLVATION/poissonBoltzmann.h>

List of all members.

Static Public Attributes
static const String	ZERO
static const String	DEBYE
static const String	COULOMB
static const String	DIPOLE
static const String	FOCUSING

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Detailed Description

This struct contains symbols for the available boundary conditions.

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Member Data Documentation

const String BALL::FDPB::Boundary::COULOMB [static]

Boundary condition Coulomb: potential at boundary points is estimated using coulomb's law.

const String BALL::FDPB::Boundary::DEBYE [static]

Boundary condition Debye: potential at boundary points is estimated using Debye Hueckel theory. The Potential at each point of the grid boundary is estimated as the Debye Hueckel potential according to the following formula:

This options tends to become very slow for large grids.

const String BALL::FDPB::Boundary::DIPOLE [static]

Boundary condition Dipole: potential is estimated via dipole potentials

const String BALL::FDPB::Boundary::FOCUSING [static]

Boundary condition Focusing: potential is estimated via a larger but coarser grid. Focusing calculates a larger grid (double extension in each direction) centered on the final grid with a four times the spacing of the final grid. Focusing also assigns an estimate of the electrostatic potential to each grid point in the final grid, thus acceleratingthe convergence.

const String BALL::FDPB::Boundary::ZERO [static]

Boundary condition zero: boundary points have zero potential. A Potential of zero is assigned to all points on the grid boundary. This is the simplest and least accurate method. It's use is not recommended.