FreeFOAM The Cross-Platform CFD Toolkit
azizChen.H
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1 /*---------------------------------------------------------------------------*\
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3  \\ / F ield | OpenFOAM: The Open Source CFD Toolbox
4  \\ / O peration |
5  \\ / A nd | Copyright (C) 2008-2010 OpenCFD Ltd.
6  \\/ M anipulation |
7 -------------------------------------------------------------------------------
8 License
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10 
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20 
21  You should have received a copy of the GNU General Public License
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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 
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,
101  );
102 
103 
104  // Destructor
105 
107  {}
108 
109 
110  // Member Functions
111 
112  scalar unscaledEnergy(const scalar r) const;
113 
114  //- Read dictionary
115  bool read(const dictionary& pairPotentialProperties);
116 };
117 
118 
119 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
120 
121 } // End namespace pairPotentials
122 } // End namespace Foam
123 
124 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
125 
126 #endif
127 
128 // ************************ vim: set sw=4 sts=4 et: ************************ //