1 /*---------------------------------------------------------------------------*\
3 \\ / F ield | OpenFOAM: The Open Source CFD Toolbox
5 \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation
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
13 the Free Software Foundation, either version 3 of the License, or
14 (at your 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, see <http://www.gnu.org/licenses/>.
24 \*---------------------------------------------------------------------------*/
26 #include "dampedCoulomb.H"
27 #include "mathematicalConstants.H"
28 #include "addToRunTimeSelectionTable.H"
30 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
34 namespace pairPotentials
37 // * * * * * * * * * * * * * * Static Data Members * * * * * * * * * * * * * //
39 defineTypeNameAndDebug(dampedCoulomb, 0);
41 addToRunTimeSelectionTable
48 scalar dampedCoulomb::oneOverFourPiEps0 =
49 1.0/(4.0*constant::mathematical::pi*8.854187817e-12);
52 // * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * //
54 dampedCoulomb::dampedCoulomb
57 const dictionary& pairPotentialProperties
60 pairPotential(name, pairPotentialProperties),
63 pairPotentialProperties.subDict(typeName + "Coeffs")
65 alpha_(readScalar(dampedCoulombCoeffs_.lookup("alpha")))
71 // * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * * //
73 scalar dampedCoulomb::unscaledEnergy(const scalar r) const
75 return oneOverFourPiEps0*erfc(alpha_*r)/r;
79 bool dampedCoulomb::read(const dictionary& pairPotentialProperties)
81 pairPotential::read(pairPotentialProperties);
83 dampedCoulombCoeffs_ =
84 pairPotentialProperties.subDict(typeName + "Coeffs");
86 dampedCoulombCoeffs_.lookup("alpha") >> alpha_;
92 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
94 } // End namespace pairPotentials
95 } // End namespace Foam
97 // ************************************************************************* //