src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/doubleSigmoid/doubleSigmoid.H

   1 /*---------------------------------------------------------------------------*\
   2   =========                 |
   3   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
   4    \\    /   O peration     |
   5     \\  /    A nd           | Copyright (C) 2008-2010 OpenCFD Ltd.
   6      \\/     M anipulation  |
   7 -------------------------------------------------------------------------------
   8 License
   9     This file is part of OpenFOAM.
  10
  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
  13     the Free Software Foundation, either version 3 of the License, or
  14     (at your option) any later version.
  15
  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
  19     for more details.
  20
  21     You should have received a copy of the GNU General Public License
  22     along with OpenFOAM.  If not, see <http://www.gnu.org/licenses/>.
  23
  24 Class
  25     Foam::energyScalingFunctions::doubleSigmoid
  26
  27 Description
  28
  29
  30 SourceFiles
  31     doubleSigmoid.C
  32
  33 \*---------------------------------------------------------------------------*/
  34
  35 #ifndef doubleSigmoid_H
  36 #define doubleSigmoid_H
  37
  38 #include "energyScalingFunction.H"
  39
  40 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
  41
  42 namespace Foam
  43 {
  44 namespace energyScalingFunctions
  45 {
  46
  47 /*---------------------------------------------------------------------------*\
  48                         Class doubleSigmoid Declaration
  49 \*---------------------------------------------------------------------------*/
  50
  51 class doubleSigmoid
  52 :
  53     public energyScalingFunction
  54 {
  55     // Private data
  56
  57         dictionary doubleSigmoidCoeffs_;
  58
  59         scalar shift1_;
  60         scalar scale1_;
  61         scalar shift2_;
  62         scalar scale2_;
  63
  64
  65     // Private Member Functions
  66
  67         scalar sigmoidScale
  68         (
  69             const scalar r,
  70             const scalar shift,
  71             const scalar scale
  72         ) const;
  73
  74
  75 public:
  76
  77     //- Runtime type information
  78     TypeName("doubleSigmoid");
  79
  80
  81     // Constructors
  82
  83         //- Construct from components
  84         doubleSigmoid
  85         (
  86             const word& name,
  87             const dictionary& energyScalingFunctionProperties,
  88             const pairPotential& pairPot
  89         );
  90
  91
  92     //- Destructor
  93     ~doubleSigmoid()
  94     {}
  95
  96     // Member Functions
  97
  98         void scaleEnergy(scalar& e, const scalar r) const;
  99
 100         //- Read dictionary
 101         bool read(const dictionary& energyScalingFunctionProperties);
 102 };
 103
 104
 105 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 106
 107 } // End namespace energyScalingFunctions
 108 } // End namespace Foam
 109
 110 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 111
 112 #endif
 113
 114 // ************************************************************************* //