pairPotential Class Referenceabstract
Inheritance diagram for pairPotential:
Collaboration diagram for pairPotential:

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...
 
 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
 
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...
 
void operator= (const pairPotential &)=delete
 Disallow default bitwise assignment. 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
 

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() [1/2]

pairPotential ( const word name,
const dictionary pairPotentialProperties 
)

Construct from components.

Definition at line 57 of file pairPotential.C.

Referenced by pairPotential::scaleEnergy().

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◆ pairPotential() [2/2]

Disallow default bitwise copy construction.

◆ ~pairPotential()

Member Function Documentation

◆ scaleEnergy()

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

Definition at line 40 of file pairPotential.C.

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

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◆ TypeName()

TypeName ( "pairPotential"  )

Runtime type information.

◆ declareRunTimeSelectionTable()

declareRunTimeSelectionTable ( autoPtr  ,
pairPotential  ,
dictionary  ,
(const word &name, const dictionary &pairPotentialProperties ,
(name, pairPotentialProperties  
)

◆ New()

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, FatalErrorInFunction, Foam::Info, dictionary::lookup(), Foam::name(), and Foam::nl.

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◆ setLookupTables()

void setLookupTables ( )

Definition at line 77 of file pairPotential.C.

References forAll, k, and N.

Referenced by pairPotential::~pairPotential().

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◆ rMin()

Foam::scalar rMin ( ) const
inline

Definition at line 28 of file pairPotentialI.H.

References pairPotential::rMin_.

Referenced by pairPotential::~pairPotential().

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◆ dr()

Foam::scalar dr ( ) const
inline

Definition at line 34 of file pairPotentialI.H.

References pairPotential::dr_.

Referenced by pairPotential::~pairPotential().

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◆ rCut()

Foam::scalar rCut ( ) const
inline

Definition at line 40 of file pairPotentialI.H.

References pairPotential::rCut_.

Referenced by pairPotential::~pairPotential().

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◆ rCutSqr()

Foam::scalar rCutSqr ( ) const
inline

Definition at line 46 of file pairPotentialI.H.

References pairPotential::rCutSqr_.

Referenced by pairPotential::~pairPotential().

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◆ energy()

Foam::scalar energy ( const scalar  r) const

Definition at line 131 of file pairPotential.C.

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

Referenced by pairPotential::~pairPotential().

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◆ force()

Foam::scalar force ( const scalar  r) const

Definition at line 94 of file pairPotential.C.

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

Referenced by pairPotential::~pairPotential().

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◆ energyTable()

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

Definition at line 153 of file pairPotential.C.

References forAll, and k.

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

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◆ forceTable()

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

Definition at line 116 of file pairPotential.C.

References forAll, and k.

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

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◆ writeTables()

bool writeTables ( ) const
inline

Definition at line 52 of file pairPotentialI.H.

References pairPotential::writeTables_.

Referenced by pairPotential::~pairPotential().

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◆ unscaledEnergy()

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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◆ scaledEnergy()

Foam::scalar scaledEnergy ( const scalar  r) const

Definition at line 168 of file pairPotential.C.

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

Referenced by pairPotential::~pairPotential().

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◆ energyDerivative()

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

Definition at line 179 of file pairPotential.C.

References Ea().

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

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◆ pairPotentialProperties()

const dictionary& pairPotentialProperties ( ) const
inline

Definition at line 167 of file pairPotential.H.

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

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

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◆ writeEnergyAndForceTables()

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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◆ read()

bool read ( const dictionary pairPotentialProperties)
pure virtual

◆ operator=()

void operator= ( const pairPotential )
delete

Disallow default bitwise assignment.

Referenced by pairPotential::pairPotentialProperties().

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Member Data Documentation

◆ name_

word name_
protected

Definition at line 64 of file pairPotential.H.

Referenced by pairPotential::writeEnergyAndForceTables().

◆ pairPotentialProperties_

dictionary pairPotentialProperties_
protected

Definition at line 65 of file pairPotential.H.

Referenced by pairPotential::pairPotentialProperties().

◆ rCut_

scalar rCut_
protected

Definition at line 67 of file pairPotential.H.

Referenced by pairPotential::rCut().

◆ rCutSqr_

scalar rCutSqr_
protected

Definition at line 68 of file pairPotential.H.

Referenced by pairPotential::rCutSqr().

◆ rMin_

scalar rMin_
protected

Definition at line 70 of file pairPotential.H.

Referenced by pairPotential::rMin().

◆ dr_

scalar dr_
protected

Definition at line 71 of file pairPotential.H.

Referenced by pairPotential::dr().

◆ forceLookup_

List<scalar> forceLookup_
protected

Definition at line 73 of file pairPotential.H.

◆ energyLookup_

List<scalar> energyLookup_
protected

Definition at line 74 of file pairPotential.H.

◆ esfPtr_

energyScalingFunction* esfPtr_
mutableprotected

Definition at line 76 of file pairPotential.H.

◆ writeTables_

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: