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::azizChen 00026 00027 Description 00028 Foam::pairPotentials::azizChen 00029 00030 From: 00031 @verbatim 00032 @article{MA_Aziz_Chen, 00033 author = {R. A. Aziz and H. H. Chen}, 00034 collaboration = {}, 00035 title = {An accurate intermolecular potential for argon}, 00036 publisher = {AIP}, 00037 year = {1977}, 00038 journal = {The Journal of Chemical Physics}, 00039 volume = {67}, 00040 number = {12}, 00041 pages = {5719-5726}, 00042 url = {http://link.aip.org/link/?JCP/67/5719/1}, 00043 doi = {10.1063/1.434827} 00044 } 00045 @endverbatim 00046 00047 SourceFiles 00048 azizChen.C 00049 00050 \*---------------------------------------------------------------------------*/ 00051 00052 #ifndef azizChen_H 00053 #define azizChen_H 00054 00055 #include <potential/pairPotential.H> 00056 00057 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // 00058 00059 namespace Foam 00060 { 00061 00062 namespace pairPotentials 00063 { 00064 00065 /*---------------------------------------------------------------------------*\ 00066 Class azizChen Declaration 00067 \*---------------------------------------------------------------------------*/ 00068 00069 class azizChen 00070 : 00071 public pairPotential 00072 { 00073 // Private data 00074 00075 dictionary azizChenCoeffs_; 00076 00077 scalar epsilon_; 00078 scalar rm_; 00079 scalar A_; 00080 scalar alpha_; 00081 scalar C6_; 00082 scalar C8_; 00083 scalar C10_; 00084 scalar D_; 00085 scalar gamma_; 00086 00087 00088 public: 00089 00090 //- Runtime type information 00091 TypeName("azizChen"); 00092 00093 00094 // Constructors 00095 00096 //- Construct from components 00097 azizChen 00098 ( 00099 const word& name, 00100 const dictionary& pairPotentialProperties 00101 ); 00102 00103 00104 // Destructor 00105 00106 ~azizChen() 00107 {} 00108 00109 00110 // Member Functions 00111 00112 scalar unscaledEnergy(const scalar r) const; 00113 00114 //- Read dictionary 00115 bool read(const dictionary& pairPotentialProperties); 00116 }; 00117 00118 00119 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // 00120 00121 } // End namespace pairPotentials 00122 } // End namespace Foam 00123 00124 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // 00125 00126 #endif 00127 00128 // ************************ vim: set sw=4 sts=4 et: ************************ //
