src/lagrangian/molecularDynamics/potential/pairPotential/derived/azizChen/azizChen.H

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   7 -------------------------------------------------------------------------------
   8 License
   9     This file is part of OpenFOAM.
  10
  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 the
  13     Free Software Foundation; either version 2 of the License, or (at your
  14     option) any later version.
  15
  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
  19     for more details.
  20
  21     You should have received a copy of the GNU General Public License
  22     along with OpenFOAM; if not, write to the Free Software Foundation,
  23     Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
  24
  25 Class
  26     Foam::pairPotentials::azizChen
  27
  28 Description
  29     Foam::pairPotentials::azizChen
  30
  31     From:
  32     @verbatim
  33         @article{MA_Aziz_Chen,
  34         author = {R. A. Aziz and H. H. Chen},
  35         collaboration = {},
  36         title = {An accurate intermolecular potential for argon},
  37         publisher = {AIP},
  38         year = {1977},
  39         journal = {The Journal of Chemical Physics},
  40         volume = {67},
  41         number = {12},
  42         pages = {5719-5726},
  43         url = {http://link.aip.org/link/?JCP/67/5719/1},
  44         doi = {10.1063/1.434827}
  45         }
  46     @endverbatim
  47
  48 SourceFiles
  49     azizChen.C
  50
  51 \*---------------------------------------------------------------------------*/
  52
  53 #ifndef azizChen_H
  54 #define azizChen_H
  55
  56 #include <potential/pairPotential.H>
  57
  58 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
  59
  60 namespace Foam
  61 {
  62
  63 namespace pairPotentials
  64 {
  65
  66 /*---------------------------------------------------------------------------*\
  67                            Class azizChen Declaration
  68 \*---------------------------------------------------------------------------*/
  69
  70 class azizChen
  71 :
  72     public pairPotential
  73 {
  74     // Private data
  75
  76         dictionary azizChenCoeffs_;
  77
  78         scalar epsilon_;
  79         scalar rm_;
  80         scalar A_;
  81         scalar alpha_;
  82         scalar C6_;
  83         scalar C8_;
  84         scalar C10_;
  85         scalar D_;
  86         scalar gamma_;
  87
  88
  89 public:
  90
  91     //- Runtime type information
  92     TypeName("azizChen");
  93
  94
  95     // Constructors
  96
  97         //- Construct from components
  98         azizChen
  99         (
 100             const word& name,
 101             const dictionary& pairPotentialProperties
 102         );
 103
 104
 105     // Destructor
 106
 107         ~azizChen()
 108         {}
 109
 110
 111     // Member Functions
 112
 113         scalar unscaledEnergy(const scalar r) const;
 114
 115         //- Read dictionary
 116         bool read(const dictionary& pairPotentialProperties);
 117 };
 118
 119
 120 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 121
 122 } // End namespace pairPotentials
 123 } // End namespace Foam
 124
 125 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 126
 127 #endif
 128
 129 // ************************ vim: set sw=4 sts=4 et: ************************ //