shiftedForce.C

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#include "shiftedForce.H"
#include "addToRunTimeSelectionTable.H"

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

namespace Foam
{
namespace energyScalingFunctions
{

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

defineTypeNameAndDebug(shiftedForce, 0);

addToRunTimeSelectionTable
(
    energyScalingFunction,
    shiftedForce,
    dictionary
);


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

shiftedForce::shiftedForce
(
    const word& name,
    const dictionary& energyScalingFunctionProperties,
    const pairPotential& pairPot
)
:
    energyScalingFunction(name, energyScalingFunctionProperties, pairPot),
    rCut_(pairPot.rCut()),
    e_at_rCut_(pairPot.unscaledEnergy(rCut_)),
    de_dr_at_rCut_(pairPot.energyDerivative(rCut_, false))
{}


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

void shiftedForce::scaleEnergy(scalar& e, const scalar r) const
{
    e -= ( e_at_rCut_ + de_dr_at_rCut_ * (r - rCut_) );
}


bool shiftedForce::read(const dictionary& energyScalingFunctionProperties)
{
    energyScalingFunction::read(energyScalingFunctionProperties);

    return true;
}


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

} // End namespace energyScalingFunctions
} // End namespace Foam

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