maitlandSmith.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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License
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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_(readScalar(maitlandSmithCoeffs_.lookup("m"))),
    gamma_(readScalar(maitlandSmithCoeffs_.lookup("gamma"))),
    rm_(readScalar(maitlandSmithCoeffs_.lookup("rm"))),
    epsilon_(readScalar(maitlandSmithCoeffs_.lookup("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

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