1 /*---------------------------------------------------------------------------*\
3 \\ / F ield | OpenFOAM: The Open Source CFD Toolbox
5 \\ / A nd | Copyright (C) 2008-2009 OpenCFD Ltd.
7 -------------------------------------------------------------------------------
9 This file is part of OpenFOAM.
11 OpenFOAM is free software; you can redistribute it and/or modify it
12 under the terms of the GNU General Public License as published by the
13 Free Software Foundation; either version 2 of the License, or (at your
14 option) any later version.
16 OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
17 ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
18 FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
21 You should have received a copy of the GNU General Public License
22 along with OpenFOAM; if not, write to the Free Software Foundation,
23 Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
25 \*---------------------------------------------------------------------------*/
27 #include "shiftedForce.H"
28 #include "addToRunTimeSelectionTable.H"
30 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
34 namespace energyScalingFunctions
37 // * * * * * * * * * * * * * * Static Data Members * * * * * * * * * * * * * //
39 defineTypeNameAndDebug(shiftedForce, 0);
41 addToRunTimeSelectionTable
43 energyScalingFunction,
49 // * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * //
51 shiftedForce::shiftedForce
54 const dictionary& energyScalingFunctionProperties,
55 const pairPotential& pairPot
58 energyScalingFunction(name, energyScalingFunctionProperties, pairPot),
59 rCut_(pairPot.rCut()),
60 e_at_rCut_(pairPot.unscaledEnergy(rCut_)),
61 de_dr_at_rCut_(pairPot.energyDerivative(rCut_, false))
65 // * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * * //
67 void shiftedForce::scaleEnergy(scalar& e, const scalar r) const
69 e -= ( e_at_rCut_ + de_dr_at_rCut_ * (r - rCut_) );
73 bool shiftedForce::read(const dictionary& energyScalingFunctionProperties)
75 energyScalingFunction::read(energyScalingFunctionProperties);
81 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
83 } // End namespace energyScalingFunctions
84 } // End namespace Foam
86 // ************************************************************************* //