maitlandSmith.C

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    Copyright (C) 2011 OpenFOAM Foundation
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License
    This file is part of OpenFOAM.

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#include "maitlandSmith.H"
#include "addToRunTimeSelectionTable.H"

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

namespace Foam
{
namespace pairPotentials
{

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

defineTypeNameAndDebug(maitlandSmith, 0);

addToRunTimeSelectionTable
(
    pairPotential,
    maitlandSmith,
    dictionary
);


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

maitlandSmith::maitlandSmith
(
    const word& name,
    const dictionary& maitlandSmith
)
:
    pairPotential(name, maitlandSmith),
    maitlandSmithCoeffs_(maitlandSmith.subDict(typeName + "Coeffs")),
    m_(maitlandSmithCoeffs_.get<scalar>("m")),
    gamma_(maitlandSmithCoeffs_.get<scalar>("gamma")),
    rm_(maitlandSmithCoeffs_.get<scalar>("rm")),
    epsilon_(maitlandSmithCoeffs_.get<scalar>("epsilon"))
{
    setLookupTables();
}


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

scalar maitlandSmith::unscaledEnergy(const scalar r) const
{
    scalar nr = (m_ + gamma_*(r/rm_ - 1.0));

    return epsilon_
       *(
            (6.0 / (nr - 6.0))*Foam::pow(r/rm_, -nr)
          - (nr / (nr - 6.0))*Foam::pow(r/rm_, -6)
        );
}


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

    maitlandSmithCoeffs_ = maitlandSmith.subDict(typeName + "Coeffs");

    maitlandSmithCoeffs_.readEntry("m", m_);
    maitlandSmithCoeffs_.readEntry("gamma", gamma_);
    maitlandSmithCoeffs_.readEntry("rm", rm_);
    maitlandSmithCoeffs_.readEntry("epsilon", epsilon_);

    return true;
}


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

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

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