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src
lagrangian
molecularDynamics
potential
pairPotential
derived
azizChen
azizChen.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::pairPotentials::azizChen
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Description
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Foam::pairPotentials::azizChen
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From:
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@verbatim
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@article{MA_Aziz_Chen,
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author = {R. A. Aziz and H. H. Chen},
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collaboration = {},
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title = {An accurate intermolecular potential for argon},
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publisher = {AIP},
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year = {1977},
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journal = {The Journal of Chemical Physics},
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volume = {67},
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number = {12},
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pages = {5719-5726},
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url = {http://link.aip.org/link/?JCP/67/5719/1},
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doi = {10.1063/1.434827}
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}
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@endverbatim
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SourceFiles
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azizChen.C
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\*---------------------------------------------------------------------------*/
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#ifndef azizChen_H
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#define azizChen_H
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#include <
potential/pairPotential.H
>
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// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
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namespace
Foam
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{
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namespace
pairPotentials
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{
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/*---------------------------------------------------------------------------*\
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Class azizChen Declaration
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\*---------------------------------------------------------------------------*/
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class
azizChen
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:
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public
pairPotential
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{
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// Private data
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dictionary
azizChenCoeffs_;
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scalar epsilon_;
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scalar rm_;
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scalar A_;
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scalar alpha_;
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scalar C6_;
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scalar C8_;
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scalar C10_;
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scalar D_;
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scalar gamma_;
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public
:
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//- Runtime type information
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TypeName
(
"azizChen"
);
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// Constructors
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//- Construct from components
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azizChen
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(
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const
word
&
name
,
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const
dictionary
&
pairPotentialProperties
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);
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// Destructor
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~azizChen
()
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{}
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// Member Functions
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scalar
unscaledEnergy
(
const
scalar r)
const
;
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//- Read dictionary
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bool
read
(
const
dictionary
& pairPotentialProperties);
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};
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// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
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}
// End namespace pairPotentials
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}
// End namespace Foam
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// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
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#endif
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// ************************ vim: set sw=4 sts=4 et: ************************ //