maitlandSmith.H

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Class
    Foam::pairPotentials::maitlandSmith

Description

    Reference:
    \verbatim
        Maitland, G. C., & Smith, E. B. (1973).
        A simplified representation of intermolecular potential energy.
        Chemical Physics Letters, 22(3), 443-446.
    \endverbatim

    Parameters for other monoatomics from:
    \verbatim
        Maitland, G. C., Rigby, M., Smith, E., Wakeham, W. (1981).
        Intermolecular forces: Their origin and determination.
        Oxford: Clarendon Press.
    \endverbatim

SourceFiles
    maitlandSmith.C

\*---------------------------------------------------------------------------*/

#ifndef maitlandSmith_H
#define maitlandSmith_H

#include "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

// ************************************************************************* //