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

   1 /*---------------------------------------------------------------------------*\
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   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 the
  13     Free Software Foundation; either version 2 of the License, or (at your
  14     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, write to the Free Software Foundation,
  23     Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
  24
  25 Class
  26     Foam::energyScalingFunctions::doubleSigmoid
  27
  28 Description
  29
  30
  31 SourceFiles
  32     doubleSigmoid.C
  33
  34 \*---------------------------------------------------------------------------*/
  35
  36 #ifndef doubleSigmoid_H
  37 #define doubleSigmoid_H
  38
  39 #include "energyScalingFunction.H"
  40
  41 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
  42
  43 namespace Foam
  44 {
  45 namespace energyScalingFunctions
  46 {
  47
  48 /*---------------------------------------------------------------------------*\
  49                         Class doubleSigmoid Declaration
  50 \*---------------------------------------------------------------------------*/
  51
  52 class doubleSigmoid
  53 :
  54     public energyScalingFunction
  55 {
  56     // Private data
  57
  58         dictionary doubleSigmoidCoeffs_;
  59
  60         scalar shift1_;
  61         scalar scale1_;
  62         scalar shift2_;
  63         scalar scale2_;
  64
  65
  66     // Private Member Functions
  67
  68         scalar sigmoidScale
  69         (
  70             const scalar r,
  71             const scalar shift,
  72             const scalar scale
  73         ) const;
  74
  75
  76 public:
  77
  78     //- Runtime type information
  79     TypeName("doubleSigmoid");
  80
  81
  82     // Constructors
  83
  84         //- Construct from components
  85         doubleSigmoid
  86         (
  87             const word& name,
  88             const dictionary& energyScalingFunctionProperties,
  89             const pairPotential& pairPot
  90         );
  91
  92
  93     // Destructor
  94
  95         ~doubleSigmoid()
  96         {}
  97
  98     // Member Functions
  99
 100         void scaleEnergy(scalar& e, const scalar r) const;
 101
 102         //- Read dictionary
 103         bool read(const dictionary& energyScalingFunctionProperties);
 104 };
 105
 106
 107 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 108
 109 } // End namespace energyScalingFunctions
 110 } // End namespace Foam
 111
 112 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 113
 114 #endif
 115
 116 // ************************************************************************* //