exponentialRepulsion.C
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25 
26 #include "exponentialRepulsion.H"
28 
29 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
30 
31 namespace Foam
32 {
33 namespace pairPotentials
34 {
35 
36 // * * * * * * * * * * * * * * Static Data Members * * * * * * * * * * * * * //
37 
38 defineTypeNameAndDebug(exponentialRepulsion, 0);
39 
41 (
42  pairPotential,
43  exponentialRepulsion,
44  dictionary
45 );
46 
47 
48 // * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * //
49 
51 (
52  const word& name,
53  const dictionary& exponentialRepulsion
54 )
55 :
56  pairPotential(name, exponentialRepulsion),
57  exponentialRepulsionCoeffs_
58  (
59  exponentialRepulsion.subDict(typeName + "Coeffs")
60  ),
61  rm_(readScalar(exponentialRepulsionCoeffs_.lookup("rm"))),
62  epsilon_(readScalar(exponentialRepulsionCoeffs_.lookup("epsilon")))
63 {
64  setLookupTables();
65 }
66 
67 
68 // * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * * //
69 
70 scalar exponentialRepulsion::unscaledEnergy(const scalar r) const
71 {
72  return epsilon_ * exp(-r/rm_);
73 }
74 
75 
76 bool exponentialRepulsion::read(const dictionary& exponentialRepulsion)
77 {
78  pairPotential::read(exponentialRepulsion);
79 
80  exponentialRepulsionCoeffs_ =
81  exponentialRepulsion.subDict(typeName + "Coeffs");
82 
83  exponentialRepulsionCoeffs_.lookup("rm") >> rm_;
84  exponentialRepulsionCoeffs_.lookup("epsilon") >> epsilon_;
85 
86  return true;
87 }
88 
89 
90 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
91 
92 } // End namespace pairPotentials
93 } // End namespace Foam
94 
95 // ************************************************************************* //
A list of keyword definitions, which are a keyword followed by any number of values (e...
Definition: dictionary.H:137
virtual bool read(const dictionary &pairPotentialProperties)=0
Read pairPotential dictionary.
scalar unscaledEnergy(const scalar r) const
const dictionary & subDict(const word &) const
Find and return a sub-dictionary.
Definition: dictionary.C:633
exponentialRepulsion(const word &name, const dictionary &pairPotentialProperties)
Construct from components.
bool read(const dictionary &pairPotentialProperties)
Read dictionary.
Macros for easy insertion into run-time selection tables.
dimensionedScalar exp(const dimensionedScalar &ds)
A class for handling words, derived from string.
Definition: word.H:59
bool readScalar(const char *buf, doubleScalar &s)
Read whole of buf as a scalar. Return true if succesful.
Definition: doubleScalar.H:63
defineTypeNameAndDebug(azizChen, 0)
addToRunTimeSelectionTable(pairPotential, azizChen, dictionary)
Namespace for OpenFOAM.
ITstream & lookup(const word &, bool recursive=false, bool patternMatch=true) const
Find and return an entry data stream.
Definition: dictionary.C:451