dampedCoulomb.C

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/*---------------------------------------------------------------------------*\
  =========                 |
  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
   \\    /   O peration     |
    \\  /    A nd           | Copyright (C) 2011 OpenFOAM Foundation
     \\/     M anipulation  |
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#include "dampedCoulomb.H"
#include "mathematicalConstants.H"
#include "addToRunTimeSelectionTable.H"
 
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
namespace Foam
{
namespace pairPotentials
{
 
// * * * * * * * * * * * * * * Static Data Members * * * * * * * * * * * * * //
 
defineTypeNameAndDebug(dampedCoulomb, 0);
 
addToRunTimeSelectionTable
(
    pairPotential,
    dampedCoulomb,
    dictionary
);
 
scalar dampedCoulomb::oneOverFourPiEps0 =
    1.0/(4.0*constant::mathematical::pi*8.854187817e-12);
 
 
// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
 
dampedCoulomb::dampedCoulomb
(
    const word& name,
    const dictionary& pairPotentialProperties
)
:
    pairPotential(name, pairPotentialProperties),
    dampedCoulombCoeffs_
    (
        pairPotentialProperties.subDict(typeName + "Coeffs")
    ),
    alpha_(readScalar(dampedCoulombCoeffs_.lookup("alpha")))
{
    setLookupTables();
}
 
 
// * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * * //
 
scalar dampedCoulomb::unscaledEnergy(const scalar r) const
{
    return oneOverFourPiEps0*erfc(alpha_*r)/r;
}
 
 
bool dampedCoulomb::read(const dictionary& pairPotentialProperties)
{
    pairPotential::read(pairPotentialProperties);
 
    dampedCoulombCoeffs_ =
        pairPotentialProperties.subDict(typeName + "Coeffs");
 
    dampedCoulombCoeffs_.lookup("alpha") >> alpha_;
 
    return true;
}
 
 
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
} // End namespace pairPotentials
} // End namespace Foam
 
// ************************************************************************* //