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 ()=default
 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 &)=delete
 No copy construct. More...
 
void operator= (const pairPotential &)=delete
 No copy 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 60 of file pairPotential.H.

Constructor & Destructor Documentation

◆ pairPotential() [1/2]

pairPotential ( const pairPotential )
protecteddelete

No copy construct.

◆ pairPotential() [2/2]

pairPotential ( const word name,
const dictionary pairPotentialProperties 
)

Construct from components.

Definition at line 59 of file pairPotential.C.

◆ ~pairPotential()

virtual ~pairPotential ( )
virtualdefault

Destructor.

Member Function Documentation

◆ scaleEnergy()

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

Definition at line 42 of file pairPotential.C.

References Foam::constant::electromagnetic::e, pairPotential::esfPtr_, pairPotential::name_, energyScalingFunction::New(), pairPotential::pairPotentialProperties_, and energyScalingFunction::scaleEnergy().

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◆ operator=()

void operator= ( const pairPotential )
protecteddelete

No copy assignment.

◆ 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 35 of file pairPotentialNew.C.

References dict, Foam::endl(), Foam::exit(), Foam::FatalIOError, FatalIOErrorInLookup, Foam::Info, Foam::name(), and Foam::nl.

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◆ setLookupTables()

void setLookupTables ( )

Definition at line 79 of file pairPotential.C.

References forAll, k, and N().

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◆ rMin()

Foam::scalar rMin ( ) const
inline

Definition at line 30 of file pairPotentialI.H.

References pairPotential::rMin_.

◆ dr()

Foam::scalar dr ( ) const
inline

Definition at line 36 of file pairPotentialI.H.

◆ rCut()

Foam::scalar rCut ( ) const
inline

Definition at line 42 of file pairPotentialI.H.

◆ rCutSqr()

Foam::scalar rCutSqr ( ) const
inline

Definition at line 48 of file pairPotentialI.H.

◆ energy()

Foam::scalar energy ( const scalar  r) const

Definition at line 133 of file pairPotential.C.

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

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◆ force()

Foam::scalar force ( const scalar  r) const

Definition at line 96 of file pairPotential.C.

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

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◆ energyTable()

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

Definition at line 155 of file pairPotential.C.

References forAll, and k.

Referenced by pairPotential::writeEnergyAndForceTables().

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◆ forceTable()

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

Definition at line 118 of file pairPotential.C.

References forAll, and k.

Referenced by pairPotential::writeEnergyAndForceTables().

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◆ writeTables()

bool writeTables ( ) const
inline

Definition at line 54 of file pairPotentialI.H.

◆ unscaledEnergy()

virtual scalar unscaledEnergy ( const scalar  r) const
pure virtual

◆ scaledEnergy()

Foam::scalar scaledEnergy ( const scalar  r) const

Definition at line 170 of file pairPotential.C.

References Foam::constant::electromagnetic::e.

◆ energyDerivative()

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

Definition at line 181 of file pairPotential.C.

References Ea().

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◆ pairPotentialProperties()

const dictionary& pairPotentialProperties ( ) const
inline

Definition at line 172 of file pairPotential.H.

References pairPotential::pairPotentialProperties_.

Referenced by noInteraction::read(), coulomb::read(), lennardJones::read(), and dampedCoulomb::read().

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◆ writeEnergyAndForceTables()

bool writeEnergyAndForceTables ( Ostream os) const

Definition at line 31 of file pairPotentialIO.C.

References Foam::constant::electromagnetic::e, Foam::endl(), pairPotential::energyTable(), forAll, pairPotential::forceTable(), Foam::Info, pairPotential::name_, Foam::nl, os(), and token::SPACE.

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◆ read()

bool read ( const dictionary pairPotentialProperties)
pure virtual

Read pairPotential dictionary.

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

Definition at line 224 of file pairPotential.C.

Referenced by noInteraction::read(), coulomb::read(), exponentialRepulsion::read(), lennardJones::read(), dampedCoulomb::read(), azizChen::read(), and maitlandSmith::read().

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Member Data Documentation

◆ name_

word name_
protected

◆ pairPotentialProperties_

dictionary pairPotentialProperties_
protected

◆ rCut_

scalar rCut_
protected

Definition at line 70 of file pairPotential.H.

◆ rCutSqr_

scalar rCutSqr_
protected

Definition at line 71 of file pairPotential.H.

◆ rMin_

scalar rMin_
protected

Definition at line 73 of file pairPotential.H.

Referenced by pairPotential::rMin().

◆ dr_

scalar dr_
protected

Definition at line 74 of file pairPotential.H.

◆ forceLookup_

List<scalar> forceLookup_
protected

Definition at line 76 of file pairPotential.H.

◆ energyLookup_

List<scalar> energyLookup_
protected

Definition at line 77 of file pairPotential.H.

◆ esfPtr_

energyScalingFunction* esfPtr_
mutableprotected

Definition at line 79 of file pairPotential.H.

Referenced by pairPotential::scaleEnergy().

◆ writeTables_

bool writeTables_
protected

Definition at line 81 of file pairPotential.H.


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