Public Member Functions | List of all members
maitlandSmith Class Reference

Reference: 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...
 
 pairPotential (const pairPotential &)
 Disallow default bitwise copy construction. 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 dictionary & pairPotentialProperties () const
 
bool writeEnergyAndForceTables (Ostream &os) const
 
void operator= (const pairPotential &)=delete
 Disallow default bitwise assignment. More...
 

Additional Inherited Members

- Static Public Member Functions inherited from pairPotential
static autoPtr< pairPotential > New (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
 
- Protected Attributes inherited from pairPotential
word name_
 
dictionary pairPotentialProperties_
 
scalar rCut_
 
scalar rCutSqr_
 
scalar rMin_
 
scalar dr_
 
List< scalar > forceLookup_
 
List< scalar > energyLookup_
 
energyScalingFunction * esfPtr_
 
bool writeTables_
 

Detailed Description

Reference: 

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

Parameters for other monoatomics from: 

    Maitland, G. C., Rigby, M., Smith, E., Wakeham, W. (1981).
    Intermolecular forces: Their origin and determination.
    Oxford: Clarendon Press.
Source files

Definition at line 64 of file maitlandSmith.H.

Constructor & Destructor Documentation

◆ maitlandSmith()

maitlandSmith ( const word &  name,
const dictionary &  pairPotentialProperties 
)

Construct from components.

Definition at line 51 of file maitlandSmith.C.

◆ ~maitlandSmith()

~maitlandSmith ( )
inline

Destructor.

Definition at line 95 of file maitlandSmith.H.

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

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Member Function Documentation

◆ TypeName()

TypeName ( "maitlandSmith"  )

Runtime type information.

◆ unscaledEnergy()

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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◆ read()

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: