potential Class Reference

Collaboration diagram for potential:

Public Member Functions
	potential (const polyMesh &mesh)
	Construct from mesh reference. More...
	potential (const polyMesh &mesh, const IOdictionary &mdInitialiseDict, IOdictionary &idListDict)
	Construct from mdInitialiseDict. More...
	~potential ()
	Destructor. More...
label	nIds () const
const List< word > &	idList () const
const List< word > &	siteIdList () const
scalar	potentialEnergyLimit () const
label	nPairPotentials () const
const labelList &	removalOrder () const
const pairPotentialList &	pairPotentials () const
const tetherPotentialList &	tetherPotentials () const
const vector &	gravity () const

Private Member Functions
void	setSiteIdList (const dictionary &moleculePropertiesDict)
void	readPotentialDict ()
void	readMdInitialiseDict (const IOdictionary &mdInitialiseDict, IOdictionary &idListDict)
	potential (const potential &)
	Disallow default bitwise copy construct. More...
void	operator= (const potential &)
	Disallow default bitwise assignment. More...

Private Attributes
const polyMesh &	mesh_
List< word >	idList_
List< word >	siteIdList_
label	nPairPotIds_
scalar	potentialEnergyLimit_
labelList	removalOrder_
pairPotentialList	pairPotentials_
tetherPotentialList	tetherPotentials_
vector	gravity_

Detailed Description

Source files

• potential.H
• potentialI.H
• potential.C

Definition at line 53 of file potential.H.

Constructor & Destructor Documentation

potential() [1/3]

potential ( const potential &  )

private

Disallow default bitwise copy construct.

potential() [2/3]

potential

(

const polyMesh &

mesh

)

Construct from mesh reference.

Definition at line 354 of file potential.C.

References potential::readPotentialDict().

Here is the call graph for this function:

potential() [3/3]

potential	(	const polyMesh &	mesh,
		const IOdictionary &	mdInitialiseDict,
		IOdictionary &	idListDict
	)

Construct from mdInitialiseDict.

Definition at line 363 of file potential.C.

~potential()

~potential

(

)

Destructor.

Definition at line 376 of file potential.C.

Member Function Documentation

setSiteIdList()

void setSiteIdList ( const dictionary &  moleculePropertiesDict )

private

Definition at line 30 of file potential.C.

References Foam::abort(), List::append(), DynamicList::append(), Foam::FatalError, FatalErrorInFunction, Foam::findIndex(), forAll, dictionary::found(), potential::idList_, dictionary::lookup(), Foam::nl, potential::nPairPotIds_, DynamicList::shrink(), potential::siteIdList(), potential::siteIdList_, dictionary::subDict(), and List::transfer().

Here is the call graph for this function:

readPotentialDict()

void readPotentialDict ( )

private

Referenced by potential::potential().

Here is the caller graph for this function:

readMdInitialiseDict()

void readMdInitialiseDict ( const IOdictionary &  mdInitialiseDict, IOdictionary &  idListDict  )

private

operator=()

void operator= ( const potential &  )

private

Disallow default bitwise assignment.

nIds()

Foam::label nIds ( ) const

inline

Definition at line 28 of file potentialI.H.

References potential::idList_, and List::size().

Here is the call graph for this function:

idList()

const Foam::List< Foam::word > & idList ( ) const

inline

Definition at line 34 of file potentialI.H.

siteIdList()

const Foam::List< Foam::word > & siteIdList ( ) const

inline

Definition at line 40 of file potentialI.H.

Referenced by potential::setSiteIdList().

Here is the caller graph for this function:

potentialEnergyLimit()

Foam::scalar potentialEnergyLimit ( ) const

inline

Definition at line 46 of file potentialI.H.

nPairPotentials()

Foam::label nPairPotentials ( ) const

inline

Definition at line 52 of file potentialI.H.

removalOrder()

const Foam::labelList & removalOrder ( ) const

inline

Definition at line 58 of file potentialI.H.

pairPotentials()

const Foam::pairPotentialList & pairPotentials ( ) const

inline

Definition at line 64 of file potentialI.H.

tetherPotentials()

const Foam::tetherPotentialList & tetherPotentials ( ) const

inline

Definition at line 71 of file potentialI.H.

gravity()

const Foam::vector & gravity ( ) const

inline

Definition at line 77 of file potentialI.H.

Field Documentation

mesh_

const polyMesh& mesh_

private

Definition at line 57 of file potential.H.

idList_

List<word> idList_

private

Definition at line 59 of file potential.H.

Referenced by potential::nIds(), and potential::setSiteIdList().

siteIdList_

List<word> siteIdList_

private

Definition at line 61 of file potential.H.

Referenced by potential::setSiteIdList().

nPairPotIds_

label nPairPotIds_

private

Definition at line 63 of file potential.H.

Referenced by potential::setSiteIdList().

potentialEnergyLimit_

scalar potentialEnergyLimit_

private

Definition at line 65 of file potential.H.

removalOrder_

labelList removalOrder_

private

Definition at line 67 of file potential.H.

pairPotentials_

pairPotentialList pairPotentials_

private

Definition at line 69 of file potential.H.

tetherPotentials_

tetherPotentialList tetherPotentials_

private

Definition at line 71 of file potential.H.

gravity_

vector gravity_

private

Definition at line 73 of file potential.H.

---

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

• src/lagrangian/molecularDynamics/potential/potential/potential.H
• src/lagrangian/molecularDynamics/potential/potential/potential.C
• src/lagrangian/molecularDynamics/potential/potential/potentialI.H