Inheritance diagram for pairPotentialList:

Collaboration diagram for pairPotentialList:

Public Member Functions
	pairPotentialList ()

	pairPotentialList (const List< word > &idList, const dictionary &pairPotentialDict, const polyMesh &mesh)
	Construct from idList and potental dictionaries. More...

	~pairPotentialList ()
	Destructor. More...

void	buildPotentials (const List< word > &idList, const dictionary &pairPotentialDict, const polyMesh &mesh)

scalar	rCutMax () const

scalar	rCutMaxSqr () const

bool	rCutMaxSqr (scalar rIJMagSqr) const

const pairPotential &	pairPotentialFunction (const label a, const label b) const

bool	rCutSqr (const label a, const label b, const scalar rIJMagSqr) const

scalar	rMin (const label a, const label b) const

scalar	dr (const label a, const label b) const

scalar	rCutSqr (const label a, const label b) const

scalar	rCut (const label a, const label b) const

scalar	force (const label a, const label b, const scalar rIJMag) const

scalar	energy (const label a, const label b, const scalar rIJMag) const

const pairPotential &	electrostatic () const

Public Member Functions inherited from PtrList< pairPotential >
	PtrList ()
	Null Constructor. More...

	PtrList (const label)
	Construct with size specified. More...

	PtrList (const PtrList< T > &)
	Copy constructor. More...

	PtrList (const PtrList< T > &, const CloneArg &)
	Copy constructor with additional argument for clone. More...

	PtrList (const Xfer< PtrList< T > > &)
	Construct by transferring the parameter contents. More...

	PtrList (PtrList< T > &, bool reUse)
	Construct as copy or re-use as specified. More...

	PtrList (const SLPtrList< T > &)
	Construct as copy of SLPtrList<T> More...

	PtrList (Istream &, const INew &)
	Construct from Istream using given Istream constructor class. More...

	PtrList (Istream &)
	Construct from Istream using default Istream constructor class. More...

	PtrList ()

	PtrList (const label s)

	PtrList (const PtrList< T > &a)

	PtrList (const Xfer< PtrList< T > > &lst)

	PtrList (PtrList< T > &a, bool reUse)

	PtrList (const SLPtrList< T > &sll)

	PtrList (Istream &is)

	~PtrList ()
	Destructor. More...

label	size () const
	Return the number of elements in the PtrList. More...

bool	empty () const
	Return true if the PtrList is empty (ie, size() is zero). More...

T &	first ()
	Return reference to the first element of the list. More...

const T &	first () const
	Return reference to first element of the list. More...

T &	last ()
	Return reference to the last element of the list. More...

const T &	last () const
	Return reference to the last element of the list. More...

void	setSize (const label)
	Reset size of PtrList. If extending the PtrList, new entries are. More...

void	resize (const label)
	Alias for setSize(const label) More...

void	clear ()
	Clear the PtrList, i.e. set size to zero deleting all the. More...

void	append (T *)
	Append an element at the end of the list. More...

void	append (const autoPtr< T > &)

void	append (const tmp< T > &)

void	transfer (PtrList< T > &)
	Transfer the contents of the argument PtrList into this PtrList. More...

Xfer< PtrList< T > >	xfer ()
	Transfer contents to the Xfer container. More...

bool	set (const label) const
	Is element set. More...

autoPtr< T >	set (const label, T *)
	Set element. Return old element (can be NULL). More...

autoPtr< T >	set (const label, const autoPtr< T > &)

autoPtr< T >	set (const label, const tmp< T > &)

void	reorder (const labelUList &)
	Reorders elements. Ordering does not have to be done in. More...

const T &	operator[] (const label) const
	Return element const reference. More...

T &	operator[] (const label)
	Return element reference. More...

const T *	operator() (const label) const
	Return element const pointer. More...

PtrList< T > &	operator= (const PtrList< T > &)
	Assignment. More...

iterator	begin ()
	Return an iterator to begin traversing the PtrList. More...

const_iterator	begin () const
	Return an const_iterator to begin traversing the PtrList. More...

iterator	end ()
	Return an iterator to end traversing the PtrList. More...

const_iterator	end () const
	Return an const_iterator to end traversing the PtrList. More...

const_iterator	cbegin () const
	Return an const_iterator to begin traversing the PtrList. More...

const_iterator	cend () const
	Return an const_iterator to end traversing the PtrList. More...

Private Member Functions
label	pairPotentialIndex (const label a, const label b) const

void	readPairPotentialDict (const List< word > &idList, const dictionary &pairPotentialDict, const polyMesh &mesh)

void	operator= (const pairPotentialList &)
	Disallow default bitwise assignment. More...

	pairPotentialList (const pairPotentialList &)
	Disallow default bitwise copy construct. More...

Private Attributes
label	nIds_

scalar	rCutMax_

scalar	rCutMaxSqr_

autoPtr< pairPotential >	electrostaticPotential_

Additional Inherited Members
Public Types inherited from PtrList< pairPotential >
typedef T	value_type
	Type of values the PtrList contains. More...

typedef T &	reference
	Type that can be used for storing into PtrList::value_type objects. More...

Data Fields inherited from PtrList< pairPotential >
const typedef T &	const_reference
	Type that can be used for storing into constant PtrList::value_type. More...

Protected Member Functions inherited from PtrList< pairPotential >
void	read (Istream &, const INew &inewt)
	Read from Istream using given Istream constructor class. More...

Detailed Description

Source files

Definition at line 51 of file pairPotentialList.H.

Constructor & Destructor Documentation

◆ pairPotentialList() [1/3]

pairPotentialList ( const pairPotentialList & )

private

Disallow default bitwise copy construct.

◆ pairPotentialList() [2/3]

pairPotentialList ( )

Definition at line 175 of file pairPotentialList.C.

◆ pairPotentialList() [3/3]

pairPotentialList	(	const List< word > &	idList,
		const dictionary &	pairPotentialDict,
		const polyMesh &	mesh
	)

Construct from idList and potental dictionaries.

Definition at line 182 of file pairPotentialList.C.

References mesh.

◆ ~pairPotentialList()

~pairPotentialList ( )

Destructor.

Definition at line 196 of file pairPotentialList.C.

Member Function Documentation

◆ pairPotentialIndex()

Foam::label pairPotentialIndex	(	const label	a,
		const label	b
	)		const

inlineprivate

Definition at line 29 of file pairPotentialListI.H.

References Foam::abort(), Foam::constant::physicoChemical::b, Foam::FatalError, FatalErrorInFunction, and Foam::nl.

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◆ readPairPotentialDict()

void readPairPotentialDict	(	const List< word > &	idList,
		const dictionary &	pairPotentialDict,
		const polyMesh &	mesh
	)

private

Definition at line 33 of file pairPotentialList.C.

References Foam::abort(), Foam::constant::physicoChemical::b, Foam::endl(), Foam::FatalError, FatalErrorInFunction, dictionary::found(), Foam::Info, mesh, OFstream::name(), Foam::compressible::New(), Foam::nl, and dictionary::subDict().

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◆ operator=()

void operator= ( const pairPotentialList & )

private

Disallow default bitwise assignment.

◆ buildPotentials()

void buildPotentials	(	const List< word > &	idList,
		const dictionary &	pairPotentialDict,
		const polyMesh &	mesh
	)

Definition at line 203 of file pairPotentialList.C.

References mesh, setSize(), and List::size().

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◆ rCutMax()

Foam::scalar rCutMax ( ) const

inline

Definition at line 61 of file pairPotentialListI.H.

References pairPotentialList::rCutMax_.

◆ rCutMaxSqr() [1/2]

Foam::scalar rCutMaxSqr ( ) const

inline

Definition at line 67 of file pairPotentialListI.H.

Referenced by moleculeCloud::evaluatePotentialLimit().

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◆ rCutMaxSqr() [2/2]

bool rCutMaxSqr ( scalar rIJMagSqr ) const

Definition at line 227 of file pairPotentialList.C.

◆ pairPotentialFunction()

const Foam::pairPotential & pairPotentialFunction	(	const label	a,
		const label	b
	)		const

Definition at line 218 of file pairPotentialList.C.

References Foam::constant::physicoChemical::b.

◆ rCutSqr() [1/2]

bool rCutSqr	(	const label	a,
		const label	b,
		const scalar	rIJMagSqr
	)		const

Definition at line 241 of file pairPotentialList.C.

References Foam::constant::physicoChemical::b.

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

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◆ rMin()

Foam::scalar rMin	(	const label	a,
		const label	b
	)		const

Definition at line 259 of file pairPotentialList.C.

References Foam::constant::physicoChemical::b.

Referenced by moleculeCloud::evaluatePotentialLimit().

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◆ dr()

Foam::scalar dr	(	const label	a,
		const label	b
	)		const

Definition at line 269 of file pairPotentialList.C.

References Foam::constant::physicoChemical::b.

◆ rCutSqr() [2/2]

Foam::scalar rCutSqr	(	const label	a,
		const label	b
	)		const

Definition at line 279 of file pairPotentialList.C.

References Foam::constant::physicoChemical::b.

◆ rCut()

Foam::scalar rCut	(	const label	a,
		const label	b
	)		const

Definition at line 289 of file pairPotentialList.C.

References Foam::constant::physicoChemical::b.

◆ force()

Foam::scalar force	(	const label	a,
		const label	b,
		const scalar	rIJMag
	)		const

Definition at line 299 of file pairPotentialList.C.

References Foam::constant::physicoChemical::b, and f().

Referenced by moleculeCloud::evaluatePair().

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◆ energy()

Foam::scalar energy	(	const label	a,
		const label	b,
		const scalar	rIJMag
	)		const

Definition at line 312 of file pairPotentialList.C.

References Foam::constant::physicoChemical::b, and Foam::e.

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

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◆ electrostatic()

const Foam::pairPotential & electrostatic ( ) const

inline

Definition at line 73 of file pairPotentialListI.H.

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

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Field Documentation

◆ nIds_

label nIds_

private

Definition at line 57 of file pairPotentialList.H.

◆ rCutMax_

scalar rCutMax_

private

Definition at line 59 of file pairPotentialList.H.

Referenced by pairPotentialList::rCutMax().

◆ rCutMaxSqr_

scalar rCutMaxSqr_

private

Definition at line 61 of file pairPotentialList.H.

◆ electrostaticPotential_

autoPtr<pairPotential> electrostaticPotential_

private

Definition at line 63 of file pairPotentialList.H.

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

src/lagrangian/molecularDynamics/potential/pairPotential/pairPotentialList/pairPotentialList.H
src/lagrangian/molecularDynamics/potential/pairPotential/pairPotentialList/pairPotentialList.C
src/lagrangian/molecularDynamics/potential/pairPotential/pairPotentialList/pairPotentialListI.H

Public Member Functions

Private Member Functions

Private Attributes

Additional Inherited Members

Detailed Description

Constructor & Destructor Documentation

◆ pairPotentialList() [1/3]

◆ pairPotentialList() [2/3]

◆ pairPotentialList() [3/3]

◆ ~pairPotentialList()

Member Function Documentation

◆ pairPotentialIndex()

◆ readPairPotentialDict()

◆ operator=()

◆ buildPotentials()

◆ rCutMax()

◆ rCutMaxSqr() [1/2]

◆ rCutMaxSqr() [2/2]

◆ pairPotentialFunction()

◆ rCutSqr() [1/2]

◆ rMin()

◆ dr()

◆ rCutSqr() [2/2]

◆ rCut()

◆ force()

◆ energy()

◆ electrostatic()

Field Documentation

◆ nIds_

◆ rCutMax_

◆ rCutMaxSqr_

◆ electrostaticPotential_