azizChen.H
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23 
24 Class
25  Foam::pairPotentials::azizChen
26 
27 Description
28 
29  Reference:
30  \verbatim
31  Aziz, R. A. & Chen, H.H. (1977).
32  An Accurate Intermolecular Potential for Argon.
33  Journal of Chemical Physics, Vol. 67, No. 12, p. 5179.
34  \endverbatim
35 
36 SourceFiles
37  azizChen.C
38 
39 \*---------------------------------------------------------------------------*/
40 
41 #ifndef azizChen_H
42 #define azizChen_H
43 
44 #include "pairPotential.H"
45 
46 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
47 
48 namespace Foam
49 {
50 
51 namespace pairPotentials
52 {
53 
54 /*---------------------------------------------------------------------------*\
55  Class azizChen Declaration
56 \*---------------------------------------------------------------------------*/
57 
58 class azizChen
59 :
60  public pairPotential
61 {
62  // Private Data
63 
64  dictionary azizChenCoeffs_;
65 
66  scalar epsilon_;
67  scalar rm_;
68  scalar A_;
69  scalar alpha_;
70  scalar C6_;
71  scalar C8_;
72  scalar C10_;
73  scalar D_;
74  scalar gamma_;
75 
76 
77 public:
78 
79  //- Runtime type information
80  TypeName("azizChen");
81 
82 
83  // Constructors
84 
85  //- Construct from components
86  azizChen
87  (
88  const word& name,
90  );
91 
92 
93  //- Destructor
94  ~azizChen()
95  {}
96 
97 
98  // Member Functions
99 
100  scalar unscaledEnergy(const scalar r) const;
101 
102  //- Read dictionary
103  bool read(const dictionary& pairPotentialProperties);
104 };
105 
106 
107 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
108 
109 } // End namespace pairPotentials
110 } // End namespace Foam
111 
112 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
113 
114 #endif
115 
116 // ************************************************************************* //
azizChen(const word &name, const dictionary &pairPotentialProperties)
Construct from components.
Definition: azizChen.C:51
A list of keyword definitions, which are a keyword followed by any number of values (e...
Definition: dictionary.H:156
scalar unscaledEnergy(const scalar r) const
Definition: azizChen.C:74
A class for handling words, derived from string.
Definition: word.H:59
bool read(const dictionary &pairPotentialProperties)
Read dictionary.
Definition: azizChen.C:99
TypeName("azizChen")
Runtime type information.
const dictionary & pairPotentialProperties() const
word name(const complex &)
Return a string representation of a complex.
Definition: complex.C:47
Namespace for OpenFOAM.