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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 dictionary &	pairPotentialProperties () const

bool	writeEnergyAndForceTables (Ostream &os) const

virtual bool	read (const dictionary &pairPotentialProperties)=0
	Read pairPotential dictionary. More...

Static Public Member Functions
static autoPtr< pairPotential >	New (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_

energyScalingFunction *	esfPtr_

bool	writeTables_

Detailed Description

Source files

Definition at line 57 of file pairPotential.H.

Constructor & Destructor Documentation

◆ pairPotential() [1/2]

pairPotential ( const pairPotential & )

protected

Disallow copy construct.

◆ pairPotential() [2/2]

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

Construct from components.

Definition at line 58 of file pairPotential.C.

◆ ~pairPotential()

virtual ~pairPotential ( )

inlinevirtual

Destructor.

Definition at line 134 of file pairPotential.H.

Member Function Documentation

◆ scaleEnergy()

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

protected

Definition at line 41 of file pairPotential.C.

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

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◆ operator=()

void operator= ( const pairPotential & )

protected

Disallow default bitwise 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 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 78 of file pairPotential.C.

References forAll, k, and N.

◆ rMin()

Foam::scalar rMin ( ) const

inline

Definition at line 28 of file pairPotentialI.H.

References pairPotential::rMin_.

Referenced by moleculeCloud::evaluatePotentialLimit().

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◆ dr()

Foam::scalar dr ( ) const

inline

Definition at line 34 of file pairPotentialI.H.

◆ rCut()

Foam::scalar rCut ( ) const

inline

Definition at line 40 of file pairPotentialI.H.

◆ rCutSqr()

Foam::scalar rCutSqr ( ) const

inline

Definition at line 46 of file pairPotentialI.H.

Referenced by moleculeCloud::evaluatePair().

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◆ energy()

Foam::scalar energy ( const scalar r ) const

Definition at line 132 of file pairPotential.C.

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

Referenced by moleculeCloud::evaluatePair(), and moleculeCloud::evaluatePotentialLimit().

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◆ force()

Foam::scalar force ( const scalar r ) const

Definition at line 95 of file pairPotential.C.

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

Referenced by moleculeCloud::evaluatePair().

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◆ energyTable()

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

Definition at line 154 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 117 of file pairPotential.C.

References forAll, and k.

Referenced by pairPotential::writeEnergyAndForceTables().

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◆ writeTables()

bool writeTables ( ) const

inline

Definition at line 52 of file pairPotentialI.H.

◆ unscaledEnergy()

virtual scalar unscaledEnergy ( const scalar r ) const

pure virtual

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

◆ scaledEnergy()

Foam::scalar scaledEnergy ( const scalar r ) const

Definition at line 169 of file pairPotential.C.

References Foam::e.

◆ energyDerivative()

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

Definition at line 180 of file pairPotential.C.

◆ pairPotentialProperties()

const dictionary& pairPotentialProperties ( ) const

inline

Definition at line 170 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 29 of file pairPotentialIO.C.

References Foam::e, Foam::endl(), pairPotential::energyTable(), forAll, pairPotential::forceTable(), IOstream::good(), Foam::Info, pairPotential::name_, Foam::nl, 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 223 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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Field Documentation

◆ name_

word name_

protected

Definition at line 64 of file pairPotential.H.

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

◆ pairPotentialProperties_

dictionary pairPotentialProperties_

protected

Definition at line 65 of file pairPotential.H.

Referenced by pairPotential::pairPotentialProperties(), and pairPotential::scaleEnergy().

◆ rCut_

scalar rCut_

protected

Definition at line 67 of file pairPotential.H.

◆ rCutSqr_

scalar rCutSqr_

protected

Definition at line 68 of file pairPotential.H.

◆ 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.

◆ 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.

Referenced by pairPotential::scaleEnergy().

◆ writeTables_

bool writeTables_

protected

Definition at line 78 of file pairPotential.H.

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

src/lagrangian/molecularDynamics/potential/pairPotential/basic/pairPotential.H
src/lagrangian/molecularDynamics/potential/pairPotential/basic/pairPotential.C
src/lagrangian/molecularDynamics/potential/pairPotential/basic/pairPotentialI.H
src/lagrangian/molecularDynamics/potential/pairPotential/basic/pairPotentialIO.C
src/lagrangian/molecularDynamics/potential/pairPotential/basic/pairPotentialNew.C

Public Member Functions

Static Public Member Functions

Protected Member Functions

Protected Attributes

Detailed Description

Constructor & Destructor Documentation

◆ pairPotential() [1/2]

◆ pairPotential() [2/2]

◆ ~pairPotential()

Member Function Documentation

◆ scaleEnergy()

◆ operator=()

◆ TypeName()

◆ declareRunTimeSelectionTable()

◆ New()

◆ setLookupTables()

◆ rMin()

◆ dr()

◆ rCut()

◆ rCutSqr()

◆ energy()

◆ force()

◆ energyTable()

◆ forceTable()

◆ writeTables()

◆ unscaledEnergy()

◆ scaledEnergy()

◆ energyDerivative()

◆ pairPotentialProperties()

◆ writeEnergyAndForceTables()

◆ read()

Field Documentation

◆ name_

◆ pairPotentialProperties_

◆ rCut_

◆ rCutSqr_

◆ rMin_

◆ dr_

◆ forceLookup_

◆ energyLookup_

◆ esfPtr_

◆ writeTables_