lennardJones.H
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6 \\/ M anipulation |
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25
26Class
27 Foam::pairPotentials::lennardJones
28
29Description
30
31
32SourceFiles
33 lennardJones.C
34
35\*---------------------------------------------------------------------------*/
36
37#ifndef lennardJones_H
38#define lennardJones_H
39
40#include "pairPotential.H"
41
42// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
43
44namespace Foam
45{
46namespace pairPotentials
47{
48
49/*---------------------------------------------------------------------------*\
50 Class lennardJones Declaration
51\*---------------------------------------------------------------------------*/
53class lennardJones
54:
55 public pairPotential
56{
57 // Private data
58
59 dictionary lennardJonesCoeffs_;
60
61 scalar sigma_;
62 scalar epsilon_;
63
64
65public:
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// ************************************************************************* //
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: lennardJones.C:81
scalar unscaledEnergy(const scalar r) const
Definition: lennardJones.C:69
TypeName("lennardJones")
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