lennardJones.H
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25 
26 Class
27  Foam::pairPotentials::lennardJones
28 
29 Description
30 
31 
32 SourceFiles
33  lennardJones.C
34 
35 \*---------------------------------------------------------------------------*/
36 
37 #ifndef lennardJones_H
38 #define lennardJones_H
39 
40 #include "pairPotential.H"
41 
42 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
43 
44 namespace Foam
45 {
46 namespace pairPotentials
47 {
48 
49 /*---------------------------------------------------------------------------*\
50  Class lennardJones Declaration
51 \*---------------------------------------------------------------------------*/
52 
53 class lennardJones
54 :
55  public pairPotential
56 {
57  // Private data
58 
59  dictionary lennardJonesCoeffs_;
60 
61  scalar sigma_;
62  scalar epsilon_;
63 
64 
65 public:
66 
67  //- Runtime type information
68  TypeName("lennardJones");
69 
70 
71  // Constructors
72 
73  //- Construct from components
75  (
76  const word& name,
78  );
79 
80 
81  //- Destructor
83  {}
84 
85 
86  // Member Functions
87 
88  scalar unscaledEnergy(const scalar r) const;
89 
90  //- Read dictionary
92 };
93 
94 
95 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
96 
97 } // End namespace pairPotentials
98 } // End namespace Foam
99 
100 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
101 
102 #endif
103 
104 // ************************************************************************* //
Foam::word
A class for handling words, derived from Foam::string.
Definition: word.H:62
Foam::name
word name(const complex &c)
Return string representation of complex.
Definition: complex.C:76
Foam::dictionary
A list of keyword definitions, which are a keyword followed by a number of values (eg,...
Definition: dictionary.H:121
Foam::pairPotential
Definition: pairPotential.H:60
Foam::pairPotential::pairPotentialProperties
const dictionary & pairPotentialProperties() const
Definition: pairPotential.H:172
Foam
Namespace for OpenFOAM.
Definition: atmBoundaryLayer.C:33
Foam::pairPotentials::lennardJones::TypeName
TypeName("lennardJones")
Runtime type information.
Foam::pairPotentials::lennardJones
Definition: lennardJones.H:52
Foam::pairPotentials::lennardJones::read
bool read(const dictionary &pairPotentialProperties)
Read dictionary.
Definition: lennardJones.C:81
Foam::pairPotentials::lennardJones::lennardJones
lennardJones(const word &name, const dictionary &pairPotentialProperties)
Construct from components.
Definition: lennardJones.C:53
Foam::pairPotentials::lennardJones::unscaledEnergy
scalar unscaledEnergy(const scalar r) const
Definition: lennardJones.C:69
pairPotential.H
Foam::pairPotentials::lennardJones::~lennardJones
~lennardJones()
Destructor.
Definition: lennardJones.H:81