azizChen.H
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6 \\/ M anipulation |
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9-------------------------------------------------------------------------------
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25
26Class
27 Foam::pairPotentials::azizChen
28
29Description
30
31 Reference:
32 \verbatim
33 Aziz, R. A. & Chen, H.H. (1977).
34 An Accurate Intermolecular Potential for Argon.
35 Journal of Chemical Physics, Vol. 67, No. 12, p. 5179.
36 \endverbatim
37
38SourceFiles
39 azizChen.C
40
41\*---------------------------------------------------------------------------*/
42
43#ifndef azizChen_H
44#define azizChen_H
45
46#include "pairPotential.H"
47
48// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
49
50namespace Foam
51{
52
53namespace pairPotentials
54{
55
56/*---------------------------------------------------------------------------*\
57 Class azizChen Declaration
58\*---------------------------------------------------------------------------*/
60class azizChen
61:
62 public pairPotential
63{
64 // Private data
65
66 dictionary azizChenCoeffs_;
67
68 scalar epsilon_;
69 scalar rm_;
70 scalar A_;
71 scalar alpha_;
72 scalar C6_;
73 scalar C8_;
74 scalar C10_;
75 scalar D_;
76 scalar gamma_;
77
78
79public:
80
81 //- Runtime type information
82 TypeName("azizChen");
83
84
85 // Constructors
86
87 //- Construct from components
89 (
90 const word& name,
92 );
93
94
95 //- Destructor
96 ~azizChen()
97 {}
98
99
100 // Member Functions
101
102 scalar unscaledEnergy(const scalar r) const;
103
104 //- Read dictionary
106};
107
108
109// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
110
111} // End namespace pairPotentials
112} // End namespace Foam
113
114// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
115
116#endif
117
118// ************************************************************************* //
A list of keyword definitions, which are a keyword followed by a number of values (eg,...
Definition: dictionary.H:126
const dictionary & pairPotentialProperties() const
bool read(const dictionary &pairPotentialProperties)
Read dictionary.
Definition: azizChen.C:101
scalar unscaledEnergy(const scalar r) const
Definition: azizChen.C:76
TypeName("azizChen")
Runtime type information.
A class for handling words, derived from Foam::string.
Definition: word.H:68
Namespace for OpenFOAM.
word name(const expressions::valueTypeCode typeCode)
A word representation of a valueTypeCode. Empty for INVALID.
Definition: exprTraits.C:59
#define TypeName(TypeNameString)
Declare a ClassName() with extra virtual type info.
Definition: typeInfo.H:73