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sigmoid.C
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25 
26 #include "sigmoid.H"
28 
29 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
30 
31 namespace Foam
32 {
33 namespace energyScalingFunctions
34 {
35 
36 // * * * * * * * * * * * * * * Static Data Members * * * * * * * * * * * * * //
37 
38 defineTypeNameAndDebug(sigmoid, 0);
39 
41 (
42  energyScalingFunction,
43  sigmoid,
44  dictionary
45 );
46 
47 
48 // * * * * * * * * * * * * Private Member Functions * * * * * * * * * * * * //
49 
50 scalar sigmoid::sigmoidScale
51  (
52  const scalar r,
53  const scalar shift,
54  const scalar scale
55  ) const
56 {
57  return 1.0 / (1.0 + exp( scale * (r - shift)));
58 }
59 
60 
61 // * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * //
62 
64 (
65  const word& name,
66  const dictionary& energyScalingFunctionProperties,
67  const pairPotential& pairPot
68 )
69 :
70  energyScalingFunction(name, energyScalingFunctionProperties, pairPot),
71  sigmoidCoeffs_
72  (
73  energyScalingFunctionProperties.subDict(typeName + "Coeffs")
74  ),
75  shift_(sigmoidCoeffs_.template lookup<scalar>("shift")),
76  scale_(sigmoidCoeffs_.template lookup<scalar>("scale"))
77 {}
78 
79 
80 // * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * * //
81 
82 void sigmoid::scaleEnergy(scalar& e, const scalar r) const
83 {
84  e *= sigmoidScale(r, shift_, scale_);
85 }
86 
87 
88 bool sigmoid::read(const dictionary& energyScalingFunctionProperties)
89 {
90  energyScalingFunction::read(energyScalingFunctionProperties);
91 
92  sigmoidCoeffs_ =
93  energyScalingFunctionProperties.subDict(typeName + "Coeffs");
94 
95  sigmoidCoeffs_.lookup("shift") >> shift_;
96  sigmoidCoeffs_.lookup("scale") >> shift_;
97 
98  return true;
99 }
100 
101 
102 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
103 
104 } // End namespace energyScalingFunctions
105 } // End namespace Foam
106 
107 // ************************************************************************* //
sigmoid(const word &name, const dictionary &energyScalingFunctionProperties, const pairPotential &pairPot)
Construct from components.
Definition: sigmoid.C:64
A list of keyword definitions, which are a keyword followed by any number of values (e...
Definition: dictionary.H:158
defineTypeNameAndDebug(doubleSigmoid, 0)
Macros for easy insertion into run-time selection tables.
const dictionary & subDict(const word &) const
Find and return a sub-dictionary.
Definition: dictionary.C:934
void scaleEnergy(scalar &e, const scalar r) const
Definition: sigmoid.C:82
dimensionedScalar exp(const dimensionedScalar &ds)
A class for handling words, derived from string.
Definition: word.H:59
energyScalingFunction(const word &name, const dictionary &energyScalingFunctionProperties, const pairPotential &pairPot)
Construct from components.
addToRunTimeSelectionTable(energyScalingFunction, doubleSigmoid, dictionary)
bool read(const dictionary &energyScalingFunctionProperties)
Read dictionary.
Definition: sigmoid.C:88
virtual bool read(const dictionary &energyScalingFunctionProperties)=0
Read energyScalingFunction dictionary.
const doubleScalar e
Elementary charge.
Definition: doubleScalar.H:105
Namespace for OpenFOAM.
ITstream & lookup(const word &, bool recursive=false, bool patternMatch=true) const
Find and return an entry data stream.
Definition: dictionary.C:812