doubleSigmoid.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 "doubleSigmoid.H"
#include "addToRunTimeSelectionTable.H"
 
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
namespace Foam
{
namespace energyScalingFunctions
{
 
// * * * * * * * * * * * * * * Static Data Members * * * * * * * * * * * * * //
 
defineTypeNameAndDebug(doubleSigmoid, 0);
 
addToRunTimeSelectionTable
(
    energyScalingFunction,
    doubleSigmoid,
    dictionary
);
 
// * * * * * * * * * * * * Private Member Functions  * * * * * * * * * * * * //
 
scalar doubleSigmoid::sigmoidScale
    (
        const scalar r,
        const scalar shift,
        const scalar scale
    ) const
{
    return 1.0 / (1.0 + exp( scale * (r - shift)));
}
 
 
// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
 
doubleSigmoid::doubleSigmoid
(
    const word& name,
    const dictionary& energyScalingFunctionProperties,
    const pairPotential& pairPot
)
:
    energyScalingFunction(name, energyScalingFunctionProperties, pairPot),
    doubleSigmoidCoeffs_
    (
        energyScalingFunctionProperties.subDict(typeName + "Coeffs")
    ),
    shift1_(readScalar(doubleSigmoidCoeffs_.lookup("shift1"))),
    scale1_(readScalar(doubleSigmoidCoeffs_.lookup("scale1"))),
    shift2_(readScalar(doubleSigmoidCoeffs_.lookup("shift2"))),
    scale2_(readScalar(doubleSigmoidCoeffs_.lookup("scale2")))
{}
 
 
// * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * * //
 
void doubleSigmoid::scaleEnergy(scalar& e, const scalar r) const
{
    e *= sigmoidScale(r, shift1_, scale1_) * sigmoidScale(r, shift2_, scale2_);
}
 
 
bool doubleSigmoid::read(const dictionary& energyScalingFunctionProperties)
{
    energyScalingFunction::read(energyScalingFunctionProperties);
 
    doubleSigmoidCoeffs_ =
        energyScalingFunctionProperties.subDict(typeName + "Coeffs");
 
    doubleSigmoidCoeffs_.lookup("shift1") >> shift1_;
    doubleSigmoidCoeffs_.lookup("scale1") >> scale1_;
    doubleSigmoidCoeffs_.lookup("shift2") >> shift2_;
    doubleSigmoidCoeffs_.lookup("scale2") >> scale2_;
 
    return true;
}
 
 
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
} // End namespace energyScalingFunctions
} // End namespace Foam
 
// ************************************************************************* //