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
  13     the Free Software Foundation, either version 3 of the License, or
  14     (at your 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, see <http://www.gnu.org/licenses/>.
  23
  24 Class
  25     Foam::pairPotentials::azizChen
  26
  27 Description
  28     Foam::pairPotentials::azizChen
  29
  30     From:
  31     \verbatim
  32         \article{MA_Aziz_Chen,
  33         author = {R. A. Aziz and H. H. Chen},
  34         collaboration = {},
  35         title = {An accurate intermolecular potential for argon},
  36         publisher = {AIP},
  37         year = {1977},
  38         journal = {The Journal of Chemical Physics},
  39         volume = {67},
  40         number = {12},
  41         pages = {5719-5726},
  42         url = {http://link.aip.org/link/?JCP/67/5719/1},
  43         doi = {10.1063/1.434827}
  44         }
  45     \endverbatim
  46
  47 SourceFiles
  48     azizChen.C
  49
  50 \*---------------------------------------------------------------------------*/
  51
  52 #ifndef azizChen_H
  53 #define azizChen_H
  54
  55 #include "pairPotential.H"
  56
  57 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
  58
  59 namespace Foam
  60 {
  61
  62 namespace pairPotentials
  63 {
  64
  65 /*---------------------------------------------------------------------------*\
  66                            Class azizChen Declaration
  67 \*---------------------------------------------------------------------------*/
  68
  69 class azizChen
  70 :
  71     public pairPotential
  72 {
  73     // Private data
  74
  75         dictionary azizChenCoeffs_;
  76
  77         scalar epsilon_;
  78         scalar rm_;
  79         scalar A_;
  80         scalar alpha_;
  81         scalar C6_;
  82         scalar C8_;
  83         scalar C10_;
  84         scalar D_;
  85         scalar gamma_;
  86
  87
  88 public:
  89
  90     //- Runtime type information
  91     TypeName("azizChen");
  92
  93
  94     // Constructors
  95
  96         //- Construct from components
  97         azizChen
  98         (
  99             const word& name,
 100             const dictionary& pairPotentialProperties
 101         );
 102
 103
 104     //- Destructor
 105     ~azizChen()
 106     {}
 107
 108
 109     // Member Functions
 110
 111         scalar unscaledEnergy(const scalar r) const;
 112
 113         //- Read dictionary
 114         bool read(const dictionary& pairPotentialProperties);
 115 };
 116
 117
 118 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 119
 120 } // End namespace pairPotentials
 121 } // End namespace Foam
 122
 123 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 124
 125 #endif
 126
 127 // ************************************************************************* //