1 /*---------------------------------------------------------------------------*\
3 \\ / F ield | OpenFOAM: The Open Source CFD Toolbox
5 \\ / A nd | Copyright (C) 1991-2008 OpenCFD Ltd.
7 -------------------------------------------------------------------------------
9 This file is part of OpenFOAM.
11 OpenFOAM is free software; you can redistribute it and/or modify it
12 under the terms of the GNU General Public License as published by the
13 Free Software Foundation; either version 2 of the License, or (at your
14 option) any later version.
16 OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
17 ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
18 FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
21 You should have received a copy of the GNU General Public License
22 along with OpenFOAM; if not, write to the Free Software Foundation,
23 Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
25 \*---------------------------------------------------------------------------*/
27 #include "maitlandSmith.H"
28 #include "addToRunTimeSelectionTable.H"
30 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
34 namespace pairPotentials
37 // * * * * * * * * * * * * * * Static Data Members * * * * * * * * * * * * * //
39 defineTypeNameAndDebug(maitlandSmith, 0);
41 addToRunTimeSelectionTable
48 // * * * * * * * * * * * * Private Member Functions * * * * * * * * * * * * //
51 // * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * //
53 maitlandSmith::maitlandSmith
56 const dictionary& maitlandSmith
59 pairPotential(name, maitlandSmith),
60 maitlandSmithCoeffs_(maitlandSmith.subDict(typeName + "Coeffs")),
61 m_(readScalar(maitlandSmithCoeffs_.lookup("m"))),
62 gamma_(readScalar(maitlandSmithCoeffs_.lookup("gamma"))),
63 rm_(readScalar(maitlandSmithCoeffs_.lookup("rm"))),
64 epsilon_(readScalar(maitlandSmithCoeffs_.lookup("epsilon")))
69 // * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * * //
71 scalar maitlandSmith::unscaledEnergy(const scalar r) const
73 scalar nr = (m_ + gamma_*(r/rm_ - 1.0));
77 (6.0 / (nr - 6.0))*Foam::pow(r/rm_, -nr)
78 - (nr / (nr - 6.0))*Foam::pow(r/rm_, -6)
83 bool maitlandSmith::read(const dictionary& maitlandSmith)
85 pairPotential::read(maitlandSmith);
87 maitlandSmithCoeffs_ = maitlandSmith.subDict(typeName + "Coeffs");
89 maitlandSmithCoeffs_.lookup("m") >> m_;
90 maitlandSmithCoeffs_.lookup("gamma") >> gamma_;
91 maitlandSmithCoeffs_.lookup("rm") >> rm_;
92 maitlandSmithCoeffs_.lookup("epsilon") >> epsilon_;
98 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
100 } // End namespace pairPotentials
101 } // End namespace Foam
103 // ************************************************************************* //