All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Macros Pages
shiftedForce.C
Go to the documentation of this file.
1 /*---------------------------------------------------------------------------*\
2  ========= |
3  \\ / F ield | OpenFOAM: The Open Source CFD Toolbox
4  \\ / O peration | Website: https://openfoam.org
5  \\ / A nd | Copyright (C) 2011-2018 OpenFOAM Foundation
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 \*---------------------------------------------------------------------------*/
25 
26 #include "shiftedForce.H"
28 
29 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
30 
31 namespace Foam
32 {
33 namespace energyScalingFunctions
34 {
35 
36 // * * * * * * * * * * * * * * Static Data Members * * * * * * * * * * * * * //
37 
38 defineTypeNameAndDebug(shiftedForce, 0);
39 
41 (
42  energyScalingFunction,
43  shiftedForce,
44  dictionary
45 );
46 
47 
48 // * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * //
49 
51 (
52  const word& name,
53  const dictionary& energyScalingFunctionProperties,
54  const pairPotential& pairPot
55 )
56 :
57  energyScalingFunction(name, energyScalingFunctionProperties, pairPot),
58  rCut_(pairPot.rCut()),
59  e_at_rCut_(pairPot.unscaledEnergy(rCut_)),
60  de_dr_at_rCut_(pairPot.energyDerivative(rCut_, false))
61 {}
62 
63 
64 // * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * * //
65 
66 void shiftedForce::scaleEnergy(scalar& e, const scalar r) const
67 {
68  e -= ( e_at_rCut_ + de_dr_at_rCut_ * (r - rCut_) );
69 }
70 
71 
72 bool shiftedForce::read(const dictionary& energyScalingFunctionProperties)
73 {
74  energyScalingFunction::read(energyScalingFunctionProperties);
75 
76  return true;
77 }
78 
79 
80 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
81 
82 } // End namespace energyScalingFunctions
83 } // End namespace Foam
84 
85 // ************************************************************************* //
A list of keyword definitions, which are a keyword followed by any number of values (e...
Definition: dictionary.H:158
scalar energyDerivative(const scalar r, const bool scaledEnergyDerivative=true) const
defineTypeNameAndDebug(doubleSigmoid, 0)
Macros for easy insertion into run-time selection tables.
A class for handling words, derived from string.
Definition: word.H:59
bool read(const dictionary &energyScalingFunctionProperties)
Read dictionary.
Definition: shiftedForce.C:72
addToRunTimeSelectionTable(energyScalingFunction, doubleSigmoid, dictionary)
virtual bool read(const dictionary &energyScalingFunctionProperties)=0
Read energyScalingFunction dictionary.
virtual scalar unscaledEnergy(const scalar r) const =0
const doubleScalar e
Elementary charge.
Definition: doubleScalar.H:105
scalar rCut() const
void scaleEnergy(scalar &e, const scalar r) const
Definition: shiftedForce.C:66
shiftedForce(const word &name, const dictionary &energyScalingFunctionProperties, const pairPotential &pairPot)
Construct from components.
Definition: shiftedForce.C:51
Namespace for OpenFOAM.