maitlandSmith Class Reference

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#include <maitlandSmith.H>

Inheritance diagram for maitlandSmith:

Collaboration diagram for maitlandSmith:

Public Member Functions
	TypeName ("maitlandSmith")
	Runtime type information.
	maitlandSmith (const word &name, const dictionary &pairPotentialProperties)
	Construct from components.
	~maitlandSmith ()
	Destructor.
scalar	unscaledEnergy (const scalar r) const
bool	read (const dictionary &pairPotentialProperties)
	Read dictionary.
Public Member Functions inherited from pairPotential
	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
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

Additional Inherited Members
Static Public Member Functions inherited from pairPotential
static autoPtr< pairPotential >	New (const word &name, const dictionary &pairPotentialProperties)
	Return a reference to the selected viscosity model.
Protected Member Functions inherited from pairPotential
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 inherited from pairPotential
word	name_
dictionary	pairPotentialProperties_
scalar	rCut_
scalar	rCutSqr_
scalar	rMin_
scalar	dr_
List< scalar >	forceLookup_
List< scalar >	energyLookup_
energyScalingFunction *	esfPtr_
bool	writeTables_

Detailed Description

Reference:

    Maitland, G. C., & Smith, E. B. (1973).
    A simplified representation of intermolecular potential energy.
    Chemical Physics Letters, 22(3), 443-446.

Parameters for other monoatomics from:

    Maitland, G. C., Rigby, M., Smith, E., Wakeham, W. (1981).
    Intermolecular forces: Their origin and determination.
    Oxford: Clarendon Press.

Source files

• maitlandSmith.H
• maitlandSmith.C

Definition at line 62 of file maitlandSmith.H.

Constructor & Destructor Documentation

maitlandSmith()

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

Construct from components.

Definition at line 45 of file maitlandSmith.C.

References Foam::GlobalIOList< Tuple2< scalar, vector > >::typeName, maitlandSmith(), Foam::name(), pairPotential::pairPotential(), and pairPotential::setLookupTables().

Referenced by maitlandSmith(), and read().

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~maitlandSmith()

~maitlandSmith ( )

inline

Destructor.

Definition at line 99 of file maitlandSmith.H.

Member Function Documentation

TypeName()

TypeName

(

"maitlandSmith"

)

Runtime type information.

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

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unscaledEnergy()

scalar unscaledEnergy ( const scalar r ) const

virtual

Implements pairPotential.

Definition at line 64 of file maitlandSmith.C.

References Foam::pow().

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read()

bool read ( const dictionary & pairPotentialProperties )

virtual

Read dictionary.

Implements pairPotential.

Definition at line 76 of file maitlandSmith.C.

References Foam::GlobalIOList< Tuple2< scalar, vector > >::typeName, maitlandSmith(), and pairPotential::read().

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

• src/lagrangian/molecularDynamics/potential/pairPotential/derived/maitlandSmith/maitlandSmith.H
• src/lagrangian/molecularDynamics/potential/pairPotential/derived/maitlandSmith/maitlandSmith.C