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src
lagrangian
molecularDynamics
potential
potential
potential.H
Go to the documentation of this file.
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/*---------------------------------------------------------------------------*\
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========= |
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\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
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\\ / O peration |
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\\ / A nd | Copyright (C) 2008-2010 OpenCFD Ltd.
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\\/ M anipulation |
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-------------------------------------------------------------------------------
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License
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This file is part of OpenFOAM.
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OpenFOAM is free software: you can redistribute it and/or modify it
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under the terms of the GNU General Public License as published by
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the Free Software Foundation, either version 3 of the License, or
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(at your option) any later version.
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OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
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ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
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FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
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for more details.
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You should have received a copy of the GNU General Public License
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along with OpenFOAM. If not, see <http://www.gnu.org/licenses/>.
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Class
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Foam::potential
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Description
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SourceFiles
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potentialI.H
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potential.C
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\*---------------------------------------------------------------------------*/
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#ifndef potential_H
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#define potential_H
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#include <
OpenFOAM/polyMesh.H
>
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#include <
OpenFOAM/IOdictionary.H
>
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#include <
OpenFOAM/Time.H
>
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#include <
potential/pairPotentialList.H
>
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#include <
potential/electrostaticPotential.H
>
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#include <
potential/tetherPotentialList.H
>
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// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
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namespace
Foam
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{
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/*---------------------------------------------------------------------------*\
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Class potential Declaration
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\*---------------------------------------------------------------------------*/
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class
potential
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{
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// Private data
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const
polyMesh
& mesh_;
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List<word>
idList_;
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List<word>
siteIdList_;
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label nPairPotIds_;
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scalar potentialEnergyLimit_;
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labelList
removalOrder_;
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pairPotentialList
pairPotentials_;
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tetherPotentialList
tetherPotentials_;
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vector
gravity_;
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// Private Member Functions
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void
setSiteIdList(
const
IOdictionary
& moleculePropertiesDict);
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void
readPotentialDict();
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void
readMdInitialiseDict
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(
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const
IOdictionary
& mdInitialiseDict,
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IOdictionary
& idListDict
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);
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//- Disallow default bitwise copy construct
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potential
(
const
potential
&);
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//- Disallow default bitwise assignment
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void
operator=(
const
potential
&);
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public
:
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// Constructors
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//- Construct from mesh reference
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potential
(
const
polyMesh
&
mesh
);
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//- Construct from mdInitialiseDict
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potential
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(
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const
polyMesh
& mesh,
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const
IOdictionary
& mdInitialiseDict,
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IOdictionary
& idListDict
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);
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// Destructor
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~potential
();
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// Member Functions
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// Access
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inline
label
nIds
()
const
;
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inline
const
List<word>
&
idList
()
const
;
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inline
const
List<word>
&
siteIdList
()
const
;
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inline
scalar
potentialEnergyLimit
()
const
;
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inline
label
nPairPotentials
()
const
;
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inline
const
labelList
&
removalOrder
()
const
;
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inline
const
pairPotentialList
&
pairPotentials
()
const
;
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inline
const
tetherPotentialList
&
tetherPotentials
()
const
;
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inline
const
vector
&
gravity
()
const
;
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};
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// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
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}
// End namespace Foam
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// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
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#include "
potentialI.H
"
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// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
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#endif
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// ************************ vim: set sw=4 sts=4 et: ************************ //