/usr/include/freefoam/potential/maitlandSmith.H is in libfreefoam-dev 0.1.0+dfsg-1build1.
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========= |
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\\ / O peration |
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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.
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Class
Foam::pairPotentials::maitlandSmith
Description
Foam::pairPotentials::maitlandSmith
From:
@verbatim
@ARTICLE{MA_Maitland_Smith,
author = {{Maitland}, G.~C. and {Smith}, E.~B.},
title = {A simplified representation of intermolecular potential energy},
journal = {Chemical Physics Letters},
year = 1973,
month = oct,
volume = 22,
pages = {443-446},
adsurl = {http://adsabs.harvard.edu/abs/1973CPL....22..443M},
adsnote = {Provided by the SAO/NASA Astrophysics Data System}
}
@endverbatim
Parameters for other monoatomics from:
@verbatim
@BOOK{MD_Maitland_Rigby_Smith_Wakeham,
AUTHOR = {Geoffrey C. Maitland and Maurice Rigby and E. Brian Smith and William A. Wakeham},
TITLE = {Intermolecular Forces: Their Origin and Determination},
PUBLISHER = {Oxford University Press},
YEAR = {1981}
}
@endverbatim
SourceFiles
maitlandSmith.C
\*---------------------------------------------------------------------------*/
#ifndef maitlandSmith_H
#define maitlandSmith_H
#include <potential/pairPotential.H>
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
namespace Foam
{
namespace pairPotentials
{
/*---------------------------------------------------------------------------*\
Class maitlandSmith Declaration
\*---------------------------------------------------------------------------*/
class maitlandSmith
:
public pairPotential
{
// Private data
dictionary maitlandSmithCoeffs_;
scalar m_;
scalar gamma_;
scalar rm_;
scalar epsilon_;
public:
//- Runtime type information
TypeName("maitlandSmith");
// Constructors
//- Construct from components
maitlandSmith
(
const word& name,
const dictionary& pairPotentialProperties
);
// Destructor
~maitlandSmith()
{}
// Member Functions
scalar unscaledEnergy(const scalar r) const;
//- Read dictionary
bool read(const dictionary& pairPotentialProperties);
};
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
} // End namespace pairPotentials
} // End namespace Foam
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
#endif
// ************************ vim: set sw=4 sts=4 et: ************************ //
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