#include <pairPotential.H>

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Public Member Functions
	TypeName ("pairPotential")
	Runtime type information.
	declareRunTimeSelectionTable (autoPtr, pairPotential, dictionary,(const word &name, const dictionary &pairPotentialProperties),(name, pairPotentialProperties))
	pairPotential (const word &name, const dictionary &pairPotentialProperties)
	Construct from components.
virtual	~pairPotential ()=default
	Destructor.
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.

Static Public Member Functions
static autoPtr< pairPotential >	New (const word &name, const dictionary &pairPotentialProperties)
	Return a reference to the selected viscosity model.

Protected Member Functions
void	scaleEnergy (scalar &e, const scalar r) const
	pairPotential (const pairPotential &)=delete
	No copy construct.
void	operator= (const pairPotential &)=delete
	No copy assignment.

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 56 of file pairPotential.H.

Constructor & Destructor Documentation

◆ pairPotential() [1/2]

pairPotential ( const pairPotential & )

protecteddelete

No copy construct.

References pairPotential().

Referenced by azizChen::azizChen(), coulomb::coulomb(), dampedCoulomb::dampedCoulomb(), declareRunTimeSelectionTable(), exponentialRepulsion::exponentialRepulsion(), lennardJones::lennardJones(), maitlandSmith::maitlandSmith(), noInteraction::noInteraction(), operator=(), and pairPotential().

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◆ pairPotential() [2/2]

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

Construct from components.

Definition at line 51 of file pairPotential.C.

References dr_, energyLookup_, esfPtr_, forceLookup_, Foam::name(), name_, pairPotentialProperties(), pairPotentialProperties_, rCut_, rCutSqr_, rMin_, and writeTables_.

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◆ ~pairPotential()

virtual ~pairPotential ( )

virtualdefault

Destructor.

Member Function Documentation

◆ scaleEnergy()

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

protected

Definition at line 35 of file pairPotential.C.

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

Referenced by scaledEnergy().

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◆ operator=()

void operator= ( const pairPotential & )

protecteddelete

No copy assignment.

References pairPotential().

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◆ TypeName()

TypeName ( "pairPotential" )

Runtime type information.

◆ declareRunTimeSelectionTable()

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

References Foam::name(), pairPotential(), and pairPotentialProperties().

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◆ New()

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

static

Return a reference to the selected viscosity model.

Definition at line 27 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 72 of file pairPotential.C.

References dr_, energyDerivative(), energyLookup_, forAll, forceLookup_, k, N(), rCut_, rMin_, and scaledEnergy().

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

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◆ rMin()

Foam::scalar rMin ( ) const

inline

Definition at line 23 of file pairPotentialI.H.

References rMin_.

◆ dr()

Foam::scalar dr ( ) const

inline

Definition at line 29 of file pairPotentialI.H.

References dr_.

◆ rCut()

Foam::scalar rCut ( ) const

inline

Definition at line 35 of file pairPotentialI.H.

References rCut_.

◆ rCutSqr()

Foam::scalar rCutSqr ( ) const

inline

Definition at line 41 of file pairPotentialI.H.

References rCutSqr_.

◆ energy()

Foam::scalar energy ( const scalar r ) const

Definition at line 126 of file pairPotential.C.

References Foam::abort(), dr_, e, energyLookup_, Foam::FatalError, FatalErrorInFunction, k, name_, Foam::nl, and rMin_.

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◆ force()

Foam::scalar force ( const scalar r ) const

Definition at line 89 of file pairPotential.C.

References Foam::abort(), dr_, f(), Foam::FatalError, FatalErrorInFunction, forceLookup_, k, name_, Foam::nl, and rMin_.

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◆ energyTable()

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

Definition at line 148 of file pairPotential.C.

References dr_, energyLookup_, UList< T >::first(), forAll, k, and rMin_.

Referenced by writeEnergyAndForceTables().

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◆ forceTable()

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

Definition at line 111 of file pairPotential.C.

References dr_, UList< T >::first(), forAll, forceLookup_, k, and rMin_.

Referenced by writeEnergyAndForceTables().

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◆ writeTables()

bool writeTables ( ) const

inline

Definition at line 47 of file pairPotentialI.H.

References writeTables_.

◆ unscaledEnergy()

virtual scalar unscaledEnergy ( const scalar r ) const

pure virtual

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

Referenced by energyDerivative(), and scaledEnergy().

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◆ scaledEnergy()

Foam::scalar scaledEnergy ( const scalar r ) const

Definition at line 163 of file pairPotential.C.

References e, scaleEnergy(), and unscaledEnergy().

Referenced by energyDerivative(), and setLookupTables().

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◆ energyDerivative()

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

Definition at line 173 of file pairPotential.C.

References dr_, Ea(), scaledEnergy(), and unscaledEnergy().

Referenced by setLookupTables().

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◆ pairPotentialProperties()

const dictionary & pairPotentialProperties ( ) const

inline

Definition at line 180 of file pairPotential.H.

References pairPotentialProperties_.

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

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◆ writeEnergyAndForceTables()

bool writeEnergyAndForceTables ( Ostream & os ) const

Definition at line 24 of file pairPotentialIO.C.

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

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◆ read()

bool read ( const dictionary & pairPotentialProperties )

pure virtual

Read pairPotential dictionary.

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

Definition at line 217 of file pairPotential.C.

References pairPotentialProperties(), and pairPotentialProperties_.

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

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Member Data Documentation

◆ name_

word name_

protected

Definition at line 63 of file pairPotential.H.

Referenced by energy(), force(), pairPotential(), scaleEnergy(), and writeEnergyAndForceTables().

◆ pairPotentialProperties_

dictionary pairPotentialProperties_

protected

Definition at line 64 of file pairPotential.H.

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

◆ rCut_

scalar rCut_

protected

Definition at line 66 of file pairPotential.H.

Referenced by pairPotential(), rCut(), and setLookupTables().

◆ rCutSqr_

scalar rCutSqr_

protected

Definition at line 67 of file pairPotential.H.

Referenced by pairPotential(), and rCutSqr().

◆ rMin_

scalar rMin_

protected

Definition at line 69 of file pairPotential.H.

Referenced by energy(), energyTable(), force(), forceTable(), pairPotential(), rMin(), and setLookupTables().

◆ dr_

scalar dr_

protected

Definition at line 70 of file pairPotential.H.

Referenced by dr(), energy(), energyDerivative(), energyTable(), force(), forceTable(), pairPotential(), and setLookupTables().

◆ forceLookup_

List<scalar> forceLookup_

protected

Definition at line 72 of file pairPotential.H.

Referenced by force(), forceTable(), pairPotential(), and setLookupTables().

◆ energyLookup_

List<scalar> energyLookup_

protected

Definition at line 73 of file pairPotential.H.

Referenced by energy(), energyTable(), pairPotential(), and setLookupTables().

◆ esfPtr_

energyScalingFunction* esfPtr_

mutableprotected

Definition at line 75 of file pairPotential.H.

Referenced by pairPotential(), and scaleEnergy().

◆ writeTables_

bool writeTables_

protected

Definition at line 77 of file pairPotential.H.

Referenced by pairPotential(), and writeTables().

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()

Member Data Documentation

◆ name_

◆ pairPotentialProperties_

◆ rCut_

◆ rCutSqr_

◆ rMin_

◆ dr_

◆ forceLookup_

◆ energyLookup_

◆ esfPtr_

◆ writeTables_