dampedCoulomb.C
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25 
26 #include "dampedCoulomb.H"
27 #include "mathematicalConstants.H"
29 
30 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
31 
32 namespace Foam
33 {
34 namespace pairPotentials
35 {
36 
37 // * * * * * * * * * * * * * * Static Data Members * * * * * * * * * * * * * //
38 
39 defineTypeNameAndDebug(dampedCoulomb, 0);
40 
42 (
43  pairPotential,
44  dampedCoulomb,
45  dictionary
46 );
47 
49  1.0/(4.0*constant::mathematical::pi*8.854187817e-12);
50 
51 
52 // * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * //
53 
55 (
56  const word& name,
57  const dictionary& pairPotentialProperties
58 )
59 :
60  pairPotential(name, pairPotentialProperties),
61  dampedCoulombCoeffs_
62  (
63  pairPotentialProperties.subDict(typeName + "Coeffs")
64  ),
65  alpha_(readScalar(dampedCoulombCoeffs_.lookup("alpha")))
66 {
67  setLookupTables();
68 }
69 
70 
71 // * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * * //
72 
73 scalar dampedCoulomb::unscaledEnergy(const scalar r) const
74 {
75  return oneOverFourPiEps0*erfc(alpha_*r)/r;
76 }
77 
78 
79 bool dampedCoulomb::read(const dictionary& pairPotentialProperties)
80 {
81  pairPotential::read(pairPotentialProperties);
82 
83  dampedCoulombCoeffs_ =
84  pairPotentialProperties.subDict(typeName + "Coeffs");
85 
86  dampedCoulombCoeffs_.lookup("alpha") >> alpha_;
87 
88  return true;
89 }
90 
91 
92 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
93 
94 } // End namespace pairPotentials
95 } // End namespace Foam
96 
97 // ************************************************************************* //
defineTypeNameAndDebug(azizChen, 0)
dampedCoulomb(const word &name, const dictionary &pairPotentialProperties)
Construct from components.
Definition: dampedCoulomb.C:55
A list of keyword definitions, which are a keyword followed by any number of values (e...
Definition: dictionary.H:138
const dictionary & subDict(const word &) const
Find and return a sub-dictionary.
Definition: dictionary.C:633
addToRunTimeSelectionTable(pairPotential, azizChen, dictionary)
Macros for easy insertion into run-time selection tables.
virtual bool read(const dictionary &pairPotentialProperties)=0
Read pairPotential dictionary.
A class for handling words, derived from string.
Definition: word.H:60
bool read(const dictionary &pairPotentialProperties)
Read dictionary.
Definition: dampedCoulomb.C:79
ITstream & lookup(const word &, bool recursive=false, bool patternMatch=true) const
Find and return an entry data stream.
Definition: dictionary.C:447
dimensionedScalar erfc(const dimensionedScalar &ds)
scalar unscaledEnergy(const scalar r) const
Definition: dampedCoulomb.C:73
bool readScalar(const char *buf, doubleScalar &s)
Read whole of buf as a scalar. Return true if succesful.
Definition: doubleScalar.H:62