FreeFOAM The Cross-Platform CFD Toolkit
lennardJones.H
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5  \\ / A nd | Copyright (C) 2008-2010 OpenCFD Ltd.
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23 
24 Class
25  Foam::pairPotentials::lennardJones
26 
27 Description
28 
29 
30 SourceFiles
31  lennardJones.C
32 
33 \*---------------------------------------------------------------------------*/
34 
35 #ifndef lennardJones_H
36 #define lennardJones_H
37 
39 
40 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
41 
42 namespace Foam
43 {
44 namespace pairPotentials
45 {
46 
47 /*---------------------------------------------------------------------------*\
48  Class lennardJones Declaration
49 \*---------------------------------------------------------------------------*/
50 
52 :
53  public pairPotential
54 {
55  // Private data
56 
57  dictionary lennardJonesCoeffs_;
58 
59  scalar sigma_;
60  scalar epsilon_;
61 
62 
63 public:
64 
65  //- Runtime type information
66  TypeName("lennardJones");
67 
68 
69  // Constructors
70 
71  //- Construct from components
73  (
74  const word& name,
76  );
77 
78 
79  // Destructor
80 
82  {}
83 
84 
85  // Member Functions
86 
87  scalar unscaledEnergy(const scalar r) const;
88 
89  //- Read dictionary
90  bool read(const dictionary& pairPotentialProperties);
91 };
92 
93 
94 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
95 
96 } // End namespace pairPotentials
97 } // End namespace Foam
98 
99 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
100 
101 #endif
102 
103 // ************************ vim: set sw=4 sts=4 et: ************************ //