exponentialRepulsion.C

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    Copyright (C) 2011 OpenFOAM Foundation
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License
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#include "exponentialRepulsion.H"
#include "addToRunTimeSelectionTable.H"

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

namespace Foam
{
namespace pairPotentials
{

// * * * * * * * * * * * * * * Static Data Members * * * * * * * * * * * * * //

defineTypeNameAndDebug(exponentialRepulsion, 0);

addToRunTimeSelectionTable
(
    pairPotential,
    exponentialRepulsion,
    dictionary
);


// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //

exponentialRepulsion::exponentialRepulsion
(
    const word& name,
    const dictionary& exponentialRepulsion
)
:
    pairPotential(name, exponentialRepulsion),
    exponentialRepulsionCoeffs_
    (
        exponentialRepulsion.subDict(typeName + "Coeffs")
    ),
    rm_(exponentialRepulsionCoeffs_.get<scalar>("rm")),
    epsilon_(exponentialRepulsionCoeffs_.get<scalar>("epsilon"))
{
    setLookupTables();
}


// * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * * //

scalar exponentialRepulsion::unscaledEnergy(const scalar r) const
{
    return epsilon_ * exp(-r/rm_);
}


bool exponentialRepulsion::read(const dictionary& exponentialRepulsion)
{
    pairPotential::read(exponentialRepulsion);

    exponentialRepulsionCoeffs_ =
        exponentialRepulsion.subDict(typeName + "Coeffs");

    exponentialRepulsionCoeffs_.readEntry("rm", rm_);
    exponentialRepulsionCoeffs_.readEntry("epsilon", epsilon_);

    return true;
}


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

} // End namespace pairPotentials
} // End namespace Foam

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