dampedCoulomb.C

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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_(dampedCoulombCoeffs_.template lookup<scalar>("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

// ************************************************************************* //