00001 /*---------------------------------------------------------------------------*\ 00002 ========= | 00003 \\ / F ield | OpenFOAM: The Open Source CFD Toolbox 00004 \\ / O peration | 00005 \\ / A nd | Copyright (C) 2008-2010 OpenCFD Ltd. 00006 \\/ M anipulation | 00007 ------------------------------------------------------------------------------- 00008 License 00009 This file is part of OpenFOAM. 00010 00011 OpenFOAM is free software: you can redistribute it and/or modify it 00012 under the terms of the GNU General Public License as published by 00013 the Free Software Foundation, either version 3 of the License, or 00014 (at your option) any later version. 00015 00016 OpenFOAM is distributed in the hope that it will be useful, but WITHOUT 00017 ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or 00018 FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License 00019 for more details. 00020 00021 You should have received a copy of the GNU General Public License 00022 along with OpenFOAM. If not, see <http://www.gnu.org/licenses/>. 00023 00024 \*---------------------------------------------------------------------------*/ 00025 00026 #include "dampedCoulomb.H" 00027 #include <OpenFOAM/mathematicalConstants.H> 00028 #include <OpenFOAM/addToRunTimeSelectionTable.H> 00029 00030 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // 00031 00032 namespace Foam 00033 { 00034 namespace pairPotentials 00035 { 00036 00037 // * * * * * * * * * * * * * * Static Data Members * * * * * * * * * * * * * // 00038 00039 defineTypeNameAndDebug(dampedCoulomb, 0); 00040 00041 addToRunTimeSelectionTable 00042 ( 00043 pairPotential, 00044 dampedCoulomb, 00045 dictionary 00046 ); 00047 00048 scalar dampedCoulomb::oneOverFourPiEps0 = 00049 1.0/(4.0 * mathematicalConstant::pi * 8.854187817e-12); 00050 00051 00052 // * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * // 00053 00054 dampedCoulomb::dampedCoulomb 00055 ( 00056 const word& name, 00057 const dictionary& pairPotentialProperties 00058 ) 00059 : 00060 pairPotential(name, pairPotentialProperties), 00061 dampedCoulombCoeffs_ 00062 ( 00063 pairPotentialProperties.subDict(typeName + "Coeffs") 00064 ), 00065 alpha_(readScalar(dampedCoulombCoeffs_.lookup("alpha"))) 00066 { 00067 setLookupTables(); 00068 } 00069 00070 00071 // * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * * // 00072 00073 scalar dampedCoulomb::unscaledEnergy(const scalar r) const 00074 { 00075 return oneOverFourPiEps0*erfc(alpha_*r)/r; 00076 } 00077 00078 00079 bool dampedCoulomb::read(const dictionary& pairPotentialProperties) 00080 { 00081 pairPotential::read(pairPotentialProperties); 00082 00083 dampedCoulombCoeffs_ = 00084 pairPotentialProperties.subDict(typeName + "Coeffs"); 00085 00086 dampedCoulombCoeffs_.lookup("alpha") >> alpha_; 00087 00088 return true; 00089 } 00090 00091 00092 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // 00093 00094 } // End namespace pairPotentials 00095 } // End namespace Foam 00096 00097 // ************************ vim: set sw=4 sts=4 et: ************************ //
