Public Member Functions | Static Public Member Functions | Protected Member Functions | Protected Attributes | List of all members
pairPotential Class Referenceabstract
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Public Member Functions

 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
 
virtual scalar unscaledEnergy (const scalar r) const =0
 
scalar scaledEnergy (const scalar r) const
 
scalar energyDerivative (const scalar r, const bool scaledEnergyDerivative=true) const
 
const dictionarypairPotentialProperties () const
 
bool writeEnergyAndForceTables (Ostream &os) const
 
virtual bool read (const dictionary &pairPotentialProperties)=0
 Read pairPotential dictionary. More...
 

Static Public Member Functions

static autoPtr< pairPotentialNew (const word &name, const dictionary &pairPotentialProperties)
 Return a reference to the selected viscosity model. More...
 

Protected Member Functions

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

word name_
 
dictionary pairPotentialProperties_
 
scalar rCut_
 
scalar rCutSqr_
 
scalar rMin_
 
scalar dr_
 
List< scalar > forceLookup_
 
List< scalar > energyLookup_
 
energyScalingFunctionesfPtr_
 
bool writeTables_
 

Detailed Description

Source files

Definition at line 57 of file pairPotential.H.

Constructor & Destructor Documentation

pairPotential ( const pairPotential )
protected

Disallow copy construct.

Referenced by pairPotential::scaleEnergy().

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pairPotential ( const word name,
const dictionary pairPotentialProperties 
)

Construct from components.

Definition at line 58 of file pairPotential.C.

virtual ~pairPotential ( )
inlinevirtual

Member Function Documentation

void scaleEnergy ( scalar &  e,
const scalar  r 
) const
protected

Definition at line 41 of file pairPotential.C.

References energyScalingFunction::New(), and pairPotential::pairPotential().

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void operator= ( const pairPotential )
protected

Disallow default bitwise assignment.

TypeName ( "pairPotential"  )

Runtime type information.

declareRunTimeSelectionTable ( autoPtr  ,
pairPotential  ,
dictionary  ,
( const word &name, const dictionary &pairPotentialProperties ,
(name, pairPotentialProperties  
)
Foam::autoPtr< Foam::pairPotential > New ( const word name,
const dictionary pairPotentialProperties 
)
static

Return a reference to the selected viscosity model.

Definition at line 32 of file pairPotentialNew.C.

References Foam::endl(), Foam::exit(), Foam::FatalError, FatalErrorIn, Foam::Info, dictionary::lookup(), Foam::name(), and Foam::nl.

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void setLookupTables ( )

Definition at line 78 of file pairPotential.C.

References forAll, k, and N.

Referenced by pairPotential::~pairPotential().

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Foam::scalar rMin ( ) const
inline

Definition at line 28 of file pairPotentialI.H.

References pairPotential::rMin_.

Referenced by pairPotential::~pairPotential().

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Foam::scalar dr ( ) const
inline

Definition at line 34 of file pairPotentialI.H.

References pairPotential::dr_.

Referenced by pairPotential::~pairPotential().

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Foam::scalar rCut ( ) const
inline

Definition at line 40 of file pairPotentialI.H.

References pairPotential::rCut_.

Referenced by pairPotential::~pairPotential().

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Foam::scalar rCutSqr ( ) const
inline

Definition at line 46 of file pairPotentialI.H.

References pairPotential::rCutSqr_.

Referenced by pairPotential::~pairPotential().

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Foam::scalar energy ( const scalar  r) const

Definition at line 132 of file pairPotential.C.

References Foam::abort(), Foam::e, Foam::FatalError, FatalErrorIn, k, and Foam::nl.

Referenced by pairPotential::~pairPotential().

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Foam::scalar force ( const scalar  r) const

Definition at line 95 of file pairPotential.C.

References Foam::abort(), f(), Foam::FatalError, FatalErrorIn, k, and Foam::nl.

Referenced by pairPotential::~pairPotential().

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Foam::List< Foam::Pair< Foam::scalar > > energyTable ( ) const

Definition at line 154 of file pairPotential.C.

References forAll, and k.

Referenced by pairPotential::writeEnergyAndForceTables(), and pairPotential::~pairPotential().

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Foam::List< Foam::Pair< Foam::scalar > > forceTable ( ) const

Definition at line 117 of file pairPotential.C.

References forAll, and k.

Referenced by pairPotential::writeEnergyAndForceTables(), and pairPotential::~pairPotential().

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bool writeTables ( ) const
inline

Definition at line 52 of file pairPotentialI.H.

References pairPotential::writeTables_.

Referenced by pairPotential::~pairPotential().

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virtual scalar unscaledEnergy ( const scalar  r) const
pure virtual

Implemented in maitlandSmith, azizChen, dampedCoulomb, exponentialRepulsion, lennardJones, coulomb, and noInteraction.

Referenced by pairPotential::~pairPotential().

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Foam::scalar scaledEnergy ( const scalar  r) const

Definition at line 169 of file pairPotential.C.

References Foam::e, and pairPotential::energyDerivative().

Referenced by pairPotential::~pairPotential().

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Foam::scalar energyDerivative ( const scalar  r,
const bool  scaledEnergyDerivative = true 
) const

Definition at line 180 of file pairPotential.C.

Referenced by pairPotential::scaledEnergy(), and pairPotential::~pairPotential().

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const dictionary& pairPotentialProperties ( ) const
inline

Definition at line 170 of file pairPotential.H.

References pairPotential::pairPotentialProperties_, pairPotential::read(), and pairPotential::writeEnergyAndForceTables().

Referenced by coulomb::~coulomb(), and dampedCoulomb::~dampedCoulomb().

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bool writeEnergyAndForceTables ( Ostream os) const

Definition at line 29 of file pairPotentialIO.C.

References Foam::e, Foam::endl(), pairPotential::energyTable(), UList< T >::first(), forAll, pairPotential::forceTable(), IOstream::good(), Foam::Info, pairPotential::name_, Foam::nl, and token::SPACE.

Referenced by pairPotential::pairPotentialProperties().

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bool read ( const dictionary pairPotentialProperties)
pure virtual

Member Data Documentation

word name_
protected

Definition at line 64 of file pairPotential.H.

Referenced by pairPotential::writeEnergyAndForceTables().

dictionary pairPotentialProperties_
protected

Definition at line 65 of file pairPotential.H.

Referenced by pairPotential::pairPotentialProperties().

scalar rCut_
protected

Definition at line 67 of file pairPotential.H.

Referenced by pairPotential::rCut().

scalar rCutSqr_
protected

Definition at line 68 of file pairPotential.H.

Referenced by pairPotential::rCutSqr().

scalar rMin_
protected

Definition at line 70 of file pairPotential.H.

Referenced by pairPotential::rMin().

scalar dr_
protected

Definition at line 71 of file pairPotential.H.

Referenced by pairPotential::dr().

List<scalar> forceLookup_
protected

Definition at line 73 of file pairPotential.H.

List<scalar> energyLookup_
protected

Definition at line 74 of file pairPotential.H.

energyScalingFunction* esfPtr_
mutableprotected

Definition at line 76 of file pairPotential.H.

bool writeTables_
protected

Definition at line 78 of file pairPotential.H.

Referenced by pairPotential::writeTables().


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