FreeFOAM The Cross-Platform CFD Toolkit
dampedCoulomb.C
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25 
26 #include "dampedCoulomb.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 * mathematicalConstant::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 // ************************ vim: set sw=4 sts=4 et: ************************ //