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::maitlandSmith 00026 00027 Description 00028 Foam::pairPotentials::maitlandSmith 00029 00030 From: 00031 @verbatim 00032 @ARTICLE{MA_Maitland_Smith, 00033 author = {{Maitland}, G.~C. and {Smith}, E.~B.}, 00034 title = {A simplified representation of intermolecular potential energy}, 00035 journal = {Chemical Physics Letters}, 00036 year = 1973, 00037 month = oct, 00038 volume = 22, 00039 pages = {443-446}, 00040 adsurl = {http://adsabs.harvard.edu/abs/1973CPL....22..443M}, 00041 adsnote = {Provided by the SAO/NASA Astrophysics Data System} 00042 } 00043 @endverbatim 00044 00045 Parameters for other monoatomics from: 00046 @verbatim 00047 @BOOK{MD_Maitland_Rigby_Smith_Wakeham, 00048 AUTHOR = {Geoffrey C. Maitland and Maurice Rigby and E. Brian Smith and William A. Wakeham}, 00049 TITLE = {Intermolecular Forces: Their Origin and Determination}, 00050 PUBLISHER = {Oxford University Press}, 00051 YEAR = {1981} 00052 } 00053 @endverbatim 00054 00055 SourceFiles 00056 maitlandSmith.C 00057 00058 \*---------------------------------------------------------------------------*/ 00059 00060 #ifndef maitlandSmith_H 00061 #define maitlandSmith_H 00062 00063 #include <potential/pairPotential.H> 00064 00065 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // 00066 00067 namespace Foam 00068 { 00069 00070 namespace pairPotentials 00071 { 00072 00073 /*---------------------------------------------------------------------------*\ 00074 Class maitlandSmith Declaration 00075 \*---------------------------------------------------------------------------*/ 00076 00077 class maitlandSmith 00078 : 00079 public pairPotential 00080 { 00081 // Private data 00082 00083 dictionary maitlandSmithCoeffs_; 00084 00085 scalar m_; 00086 scalar gamma_; 00087 scalar rm_; 00088 scalar epsilon_; 00089 00090 00091 public: 00092 00093 //- Runtime type information 00094 TypeName("maitlandSmith"); 00095 00096 00097 // Constructors 00098 00099 //- Construct from components 00100 maitlandSmith 00101 ( 00102 const word& name, 00103 const dictionary& pairPotentialProperties 00104 ); 00105 00106 00107 // Destructor 00108 00109 ~maitlandSmith() 00110 {} 00111 00112 00113 // Member Functions 00114 00115 scalar unscaledEnergy(const scalar r) const; 00116 00117 //- Read dictionary 00118 bool read(const dictionary& pairPotentialProperties); 00119 }; 00120 00121 00122 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // 00123 00124 } // End namespace pairPotentials 00125 } // End namespace Foam 00126 00127 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // 00128 00129 #endif 00130 00131 // ************************ vim: set sw=4 sts=4 et: ************************ //
