pairPotential Class Reference

#include <potential/pairPotential.H>

---

Detailed Description

Source files

• src/lagrangian/molecularDynamics/potential/pairPotential/basic/pairPotential.H
• src/lagrangian/molecularDynamics/potential/pairPotential/basic/pairPotential.C
• src/lagrangian/molecularDynamics/potential/pairPotential/basic/newPairPotential.C

Definition at line 59 of file pairPotential.H.

Inheritance diagram for pairPotential:

Collaboration diagram for pairPotential:

List of all members.

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 ()
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 &)
	Disallow copy construct.
void	operator= (const pairPotential &)
	Disallow default bitwise 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_

---

Constructor & Destructor Documentation

pairPotential

(

const pairPotential &

)

[protected]

Disallow copy construct.

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

Construct from components.

Definition at line 58 of file pairPotential.C.

virtual ~pairPotential

(

)

[inline, virtual]

Definition at line 137 of file pairPotential.H.

---

Member Function Documentation

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

Definition at line 41 of file pairPotential.C.

References pairPotential::esfPtr_, pairPotential::name_, pairPotential::New(), pairPotential::pairPotentialProperties_, autoPtr< T >::ptr(), and energyScalingFunction::scaleEnergy().

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)
	)

autoPtr< pairPotential > New	(	const word &	name,
		const dictionary &	pairPotentialProperties
	)		[static]

Return a reference to the selected viscosity model.

Definition at line 36 of file newPairPotential.C.

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

Referenced by pairPotential::scaleEnergy().

void setLookupTables

(

)

Definition at line 78 of file pairPotential.C.

References forAll, and k().

Foam::scalar rMin

(

)

const [inline]

Definition at line 28 of file pairPotentialI.H.

References pairPotential::rMin_.

Foam::scalar dr

(

)

const [inline]

Definition at line 34 of file pairPotentialI.H.

Foam::scalar rCut

(

)

const [inline]

Definition at line 40 of file pairPotentialI.H.

Foam::scalar rCutSqr

(

)

const [inline]

Definition at line 46 of file pairPotentialI.H.

Foam::scalar energy

(

const scalar

r  )

const

Definition at line 132 of file pairPotential.C.

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

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.

Foam::List< Foam::Pair< Foam::scalar > > energyTable

(

)

const

Definition at line 154 of file pairPotential.C.

References forAll, and k().

Referenced by pairPotential::writeEnergyAndForceTables().

Foam::List< Foam::Pair< Foam::scalar > > forceTable

(

)

const

Definition at line 117 of file pairPotential.C.

References forAll, and k().

Referenced by pairPotential::writeEnergyAndForceTables().

bool writeTables

(

)

const [inline]

Definition at line 52 of file pairPotentialI.H.

virtual scalar unscaledEnergy

(

const scalar

r  )

const [pure virtual]

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

Foam::scalar scaledEnergy

(

const scalar

r  )

const

Definition at line 169 of file pairPotential.C.

References e.

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

Definition at line 180 of file pairPotential.C.

const dictionary& pairPotentialProperties

(

)

const [inline]

Definition at line 173 of file pairPotential.H.

References pairPotential::pairPotentialProperties_.

bool writeEnergyAndForceTables

(

Ostream &

os  )

const

Definition at line 29 of file pairPotentialIO.C.

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

bool read

(

const dictionary &

pairPotentialProperties  )

[pure virtual]

Read pairPotential dictionary.

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

Definition at line 223 of file pairPotential.C.

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Member Data Documentation

word name_ [protected]

Definition at line 66 of file pairPotential.H.

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

dictionary pairPotentialProperties_ [protected]

Definition at line 67 of file pairPotential.H.

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

scalar rCut_ [protected]

Definition at line 69 of file pairPotential.H.

scalar rCutSqr_ [protected]

Definition at line 70 of file pairPotential.H.

scalar rMin_ [protected]

Definition at line 72 of file pairPotential.H.

Referenced by pairPotential::rMin().

scalar dr_ [protected]

Definition at line 73 of file pairPotential.H.

List<scalar> forceLookup_ [protected]

Definition at line 75 of file pairPotential.H.

List<scalar> energyLookup_ [protected]

Definition at line 76 of file pairPotential.H.

energyScalingFunction* esfPtr_ [mutable, protected]

Definition at line 78 of file pairPotential.H.

Referenced by pairPotential::scaleEnergy().

bool writeTables_ [protected]

Definition at line 80 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/newPairPotential.C
• src/lagrangian/molecularDynamics/potential/pairPotential/basic/pairPotential.C
• src/lagrangian/molecularDynamics/potential/pairPotential/basic/pairPotentialI.H
• src/lagrangian/molecularDynamics/potential/pairPotential/basic/pairPotentialIO.C