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 Class 00025 Foam::pairPotentials::lennardJones 00026 00027 Description 00028 00029 00030 SourceFiles 00031 lennardJones.C 00032 00033 \*---------------------------------------------------------------------------*/ 00034 00035 #ifndef lennardJones_H 00036 #define lennardJones_H 00037 00038 #include <potential/pairPotential.H> 00039 00040 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // 00041 00042 namespace Foam 00043 { 00044 namespace pairPotentials 00045 { 00046 00047 /*---------------------------------------------------------------------------*\ 00048 Class lennardJones Declaration 00049 \*---------------------------------------------------------------------------*/ 00050 00051 class lennardJones 00052 : 00053 public pairPotential 00054 { 00055 // Private data 00056 00057 dictionary lennardJonesCoeffs_; 00058 00059 scalar sigma_; 00060 scalar epsilon_; 00061 00062 00063 public: 00064 00065 //- Runtime type information 00066 TypeName("lennardJones"); 00067 00068 00069 // Constructors 00070 00071 //- Construct from components 00072 lennardJones 00073 ( 00074 const word& name, 00075 const dictionary& pairPotentialProperties 00076 ); 00077 00078 00079 // Destructor 00080 00081 ~lennardJones() 00082 {} 00083 00084 00085 // Member Functions 00086 00087 scalar unscaledEnergy(const scalar r) const; 00088 00089 //- Read dictionary 00090 bool read(const dictionary& pairPotentialProperties); 00091 }; 00092 00093 00094 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // 00095 00096 } // End namespace pairPotentials 00097 } // End namespace Foam 00098 00099 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // 00100 00101 #endif 00102 00103 // ************************ vim: set sw=4 sts=4 et: ************************ //
