maitlandSmith.C

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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_.template lookup<scalar>("m")),
    gamma_(maitlandSmithCoeffs_.template lookup<scalar>("gamma")),
    rm_(maitlandSmithCoeffs_.template lookup<scalar>("rm")),
    epsilon_(maitlandSmithCoeffs_.template lookup<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_.lookup("m") >> m_;
    maitlandSmithCoeffs_.lookup("gamma") >> gamma_;
    maitlandSmithCoeffs_.lookup("rm") >> rm_;
    maitlandSmithCoeffs_.lookup("epsilon") >> epsilon_;

    return true;
}


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

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

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