FDPB::DielectricSmoothing Struct Reference

Constants to define the dielectric smoothing methods. More...

#include <poissonBoltzmann.h>

List of all members.

Static Public Attributes

const String NONE

Do not perform any smoothing.

const String UNIFORM

Uniform smoothing.

const String HARMONIC

Harmonic smoothing.

Detailed Description

Constants to define the dielectric smoothing methods.

To increase the accuracy of a FDPB calculation it prooved advantageous to smooth the discrete values for the dielectric constant on the grid. We recommend the use of harmonic smoothing (which happens to be the default Default::dielectric_smoothing).

Member Data Documentation

const String FDPB::DielectricSmoothing::HARMONIC [static]

Harmonic smoothing.
This method assigns the harmonic average of the point's value and its 26 next grid neighbours to the grid point:
$\varepsilon_0 = \frac{1}{\sum_{i=1}^{26} \frac{1}{\varepsilon_i} + \frac{1}{\varepsilon_0}}$

const String FDPB::DielectricSmoothing::UNIFORM [static]

Uniform smoothing.
This method assigns the arithmetic average of the point's value and its 26 next grid neighbours to the grid point:
$\varepsilon_0 = \frac{1}{27} \left( \sum_{i=1}^{26} \varepsilon_i + \varepsilon_0 \right)$


Static Public Attributes
const String	NONE
	Do not perform any smoothing.
const String	UNIFORM
	Uniform smoothing.
const String	HARMONIC
	Harmonic smoothing.