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========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Copyright (C) 2011-2026 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
This file is part of OpenFOAM.
OpenFOAM is free software: you can redistribute it and/or modify it
under the terms of the GNU General Public License as published by
the Free Software Foundation, either version 3 of the License, or
(at your option) any later version.
OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
for more details.
You should have received a copy of the GNU General Public License
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Class
Foam::pairPotential
Description
SourceFiles
pairPotential.C
pairPotentialNew.C
\*---------------------------------------------------------------------------*/
#ifndef pairPotential_H
#define pairPotential_H
#include "IOdictionary.H"
#include "typeInfo.H"
#include "runTimeSelectionTables.H"
#include "autoPtr.H"
#include "List.H"
#include "Pair.H"
#include "Switch.H"
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
namespace Foam
{
// Forward declaration of classes
class energyScalingFunction;
/*---------------------------------------------------------------------------*\
Class pairPotential Declaration
\*---------------------------------------------------------------------------*/
class pairPotential
{
protected:
// Protected Data
word name_;
dictionary pairPotentialProperties_;
scalar rCut_;
scalar rCutSqr_;
scalar rMin_;
scalar dr_;
List<scalar> forceLookup_;
List<scalar> energyLookup_;
mutable energyScalingFunction* esfPtr_;
bool writeTables_;
// Protected Member Functions
void scaleEnergy(scalar& e, const scalar r) const;
public:
//- Runtime type information
TypeName("pairPotential");
// Declare run-time constructor selection table
declareRunTimeSelectionTable
(
autoPtr,
pairPotential,
dictionary,
(
const word& name,
const dictionary& pairPotentialProperties
),
(name, pairPotentialProperties)
);
// Selectors
//- Return a reference to the selected viscosity model
static autoPtr<pairPotential> New
(
const word& name,
const dictionary& pairPotentialProperties
);
// Constructors
//- Construct from components
pairPotential
(
const word& name,
const dictionary& pairPotentialProperties
);
//- Disallow default bitwise copy construction
pairPotential(const pairPotential&) = delete;
//- Destructor
virtual ~pairPotential()
{}
// Member Functions
void setLookupTables();
inline scalar rMin() const;
inline scalar dr() const;
inline scalar rCut() const;
inline scalar rCutSqr() const;
scalar energy (const scalar r) const;
scalar force (const scalar r) const;
List<Pair<scalar>> energyTable() const;
List<Pair<scalar>> forceTable() const;
inline bool writeTables() const;
virtual scalar unscaledEnergy(const scalar r) const = 0;
scalar scaledEnergy(const scalar r) const;
scalar energyDerivative
(
const scalar r,
const bool scaledEnergyDerivative = true
) const;
const dictionary& pairPotentialProperties() const
{
return pairPotentialProperties_;
}
bool writeEnergyAndForceTables(Ostream& os) const;
//- Read pairPotential dictionary
virtual bool read(const dictionary& pairPotentialProperties) = 0;
// Member Operators
//- Disallow default bitwise assignment
void operator=(const pairPotential&) = delete;
};
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
} // End namespace Foam
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
#include "pairPotentialI.H"
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
#endif
// ************************************************************************* //
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