shifted.C
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25 
26 #include "shifted.H"
28 
29 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
30 
31 namespace Foam
32 {
33 namespace energyScalingFunctions
34 {
35 
36 // * * * * * * * * * * * * * * Static Data Members * * * * * * * * * * * * * //
37 
38 defineTypeNameAndDebug(shifted, 0);
39 
41 (
42  energyScalingFunction,
43  shifted,
44  dictionary
45 );
46 
47 
48 // * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * //
49 
51 (
52  const word& name,
53  const dictionary& energyScalingFunctionProperties,
54  const pairPotential& pairPot
55 )
56 :
57  energyScalingFunction(name, energyScalingFunctionProperties, pairPot),
58  e_at_rCut_(pairPot.unscaledEnergy(pairPot.rCut()))
59 {}
60 
61 
62 // * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * * //
63 
64 void shifted::scaleEnergy(scalar& e, const scalar r) const
65 {
66  e -= e_at_rCut_;
67 }
68 
69 
70 bool shifted::read(const dictionary& energyScalingFunctionProperties)
71 {
72  energyScalingFunction::read(energyScalingFunctionProperties);
73 
74  return true;
75 }
76 
77 
78 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
79 
80 } // End namespace energyScalingFunctions
81 } // End namespace Foam
82 
83 // ************************************************************************* //
A list of keyword definitions, which are a keyword followed by any number of values (e...
Definition: dictionary.H:156
bool read(const dictionary &energyScalingFunctionProperties)
Read dictionary.
Definition: shifted.C:70
defineTypeNameAndDebug(doubleSigmoid, 0)
Macros for easy insertion into run-time selection tables.
shifted(const word &name, const dictionary &energyScalingFunctionProperties, const pairPotential &pairPot)
Construct from components.
Definition: shifted.C:51
A class for handling words, derived from string.
Definition: word.H:59
addToRunTimeSelectionTable(energyScalingFunction, doubleSigmoid, dictionary)
word name(const complex &)
Return a string representation of a complex.
Definition: complex.C:47
virtual bool read(const dictionary &energyScalingFunctionProperties)=0
Read energyScalingFunction dictionary.
virtual scalar unscaledEnergy(const scalar r) const =0
const doubleScalar e
Elementary charge.
Definition: doubleScalar.H:105
void scaleEnergy(scalar &e, const scalar r) const
Definition: shifted.C:64
scalar rCut() const
Namespace for OpenFOAM.