Public Member Functions | List of all members
maitlandSmith Class Reference

Foam::pairPotentials::maitlandSmith. More...

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Public Member Functions

 TypeName ("maitlandSmith")
 Runtime type information. More...
 
 maitlandSmith (const word &name, const dictionary &pairPotentialProperties)
 Construct from components. More...
 
 ~maitlandSmith ()
 Destructor. More...
 
scalar unscaledEnergy (const scalar r) const
 
bool read (const dictionary &pairPotentialProperties)
 Read dictionary. More...
 
- Public Member Functions inherited from pairPotential
 TypeName ("pairPotential")
 Runtime type information. More...
 
 declareRunTimeSelectionTable (autoPtr, pairPotential, dictionary,( const word &name, const dictionary &pairPotentialProperties ),(name, pairPotentialProperties))
 
 pairPotential (const word &name, const dictionary &pairPotentialProperties)
 Construct from components. More...
 
virtual ~pairPotential ()
 Destructor. More...
 
void setLookupTables ()
 
scalar rMin () const
 
scalar dr () const
 
scalar rCut () const
 
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
 
bool writeTables () const
 
scalar scaledEnergy (const scalar r) const
 
scalar energyDerivative (const scalar r, const bool scaledEnergyDerivative=true) const
 
const dictionarypairPotentialProperties () const
 
bool writeEnergyAndForceTables (Ostream &os) const
 

Additional Inherited Members

- Static Public Member Functions inherited from pairPotential
static autoPtr< pairPotentialNew (const word &name, const dictionary &pairPotentialProperties)
 Return a reference to the selected viscosity model. More...
 
- Protected Member Functions inherited from pairPotential
void scaleEnergy (scalar &e, const scalar r) const
 
 pairPotential (const pairPotential &)
 Disallow copy construct. More...
 
void operator= (const pairPotential &)
 Disallow default bitwise assignment. More...
 
- Protected Attributes inherited from pairPotential
word name_
 
dictionary pairPotentialProperties_
 
scalar rCut_
 
scalar rCutSqr_
 
scalar rMin_
 
scalar dr_
 
List< scalar > forceLookup_
 
List< scalar > energyLookup_
 
energyScalingFunctionesfPtr_
 
bool writeTables_
 

Detailed Description

Foam::pairPotentials::maitlandSmith.

From:

    @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}
    }

Parameters for other monoatomics from:

    @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}
    }
Source files

Definition at line 78 of file maitlandSmith.H.

Constructor & Destructor Documentation

maitlandSmith ( const word name,
const dictionary pairPotentialProperties 
)

Construct from components.

Definition at line 51 of file maitlandSmith.C.

~maitlandSmith ( )
inline

Destructor.

Definition at line 109 of file maitlandSmith.H.

References maitlandSmith::read(), and maitlandSmith::unscaledEnergy().

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Member Function Documentation

TypeName ( "maitlandSmith"  )

Runtime type information.

scalar unscaledEnergy ( const scalar  r) const
virtual

Implements pairPotential.

Definition at line 69 of file maitlandSmith.C.

References Foam::pow().

Referenced by maitlandSmith::~maitlandSmith().

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bool read ( const dictionary pairPotentialProperties)
virtual

Read dictionary.

Implements pairPotential.

Definition at line 81 of file maitlandSmith.C.

References dictionary::lookup(), pairPotential::read(), and dictionary::subDict().

Referenced by maitlandSmith::~maitlandSmith().

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The documentation for this class was generated from the following files: