maitlandSmith Class Reference

Foam::pairPotentials::maitlandSmith. More...

Inheritance diagram for maitlandSmith:

Collaboration diagram for maitlandSmith:

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

Private Attributes
dictionary	maitlandSmithCoeffs_
scalar	m_
scalar	gamma_
scalar	rm_
scalar	epsilon_

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. More...
Protected Member Functions inherited from pairPotential
void	scaleEnergy (scalar &e, const scalar r) const
	pairPotential (const pairPotential &)
	Disallow copy construct. More...
void	operator= (const pairPotential &)
	Disallow default bitwise assignment. More...
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

Foam::pairPotentials::maitlandSmith.

From:

    @ARTICLE{MA_Maitland_Smith,
    author = {{Maitland}, G.~C. and {Smith}, E.~B.},
    title = {A simplified representation of
    intermolecular potential energy},
    journal = {Chemical Physics Letters},
    year = 1973,
    month = oct,
    volume = 22,
    pages = {443-446},
    adsurl = {http://adsabs.harvard.edu/abs/1973CPL....22..443M},
    adsnote = {Provided by the SAO/NASA Astrophysics Data System}
    }

Parameters for other monoatomics from:

    @BOOK{MD_Maitland_Rigby_Smith_Wakeham,
    AUTHOR =       {Geoffrey C. Maitland and Maurice Rigby and
    E. Brian Smith and William A. Wakeham},
    TITLE =        {Intermolecular Forces: Their Origin and Determination},
    PUBLISHER =    {Oxford University Press},
    YEAR =         {1981}
    }

Source files

• maitlandSmith.H
• maitlandSmith.C

Definition at line 78 of file maitlandSmith.H.

Constructor & Destructor Documentation

maitlandSmith()

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

Construct from components.

Definition at line 51 of file maitlandSmith.C.

~maitlandSmith()

~maitlandSmith ( )

inline

Destructor.

Definition at line 109 of file maitlandSmith.H.

Member Function Documentation

TypeName()

TypeName

(

"maitlandSmith"

)

Runtime type information.

unscaledEnergy()

scalar unscaledEnergy ( const scalar  r ) const

virtual

Implements pairPotential.

Definition at line 69 of file maitlandSmith.C.

References maitlandSmith::epsilon_, maitlandSmith::gamma_, maitlandSmith::m_, Foam::pow(), and maitlandSmith::rm_.

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read()

bool read ( const dictionary &  pairPotentialProperties )

virtual

Read dictionary.

Implements pairPotential.

Definition at line 81 of file maitlandSmith.C.

References maitlandSmith::epsilon_, maitlandSmith::gamma_, dictionary::lookup(), maitlandSmith::m_, maitlandSmith::maitlandSmithCoeffs_, pairPotential::read(), and maitlandSmith::rm_.

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Field Documentation

maitlandSmithCoeffs_

dictionary maitlandSmithCoeffs_

private

Definition at line 84 of file maitlandSmith.H.

Referenced by maitlandSmith::read().

m_

scalar m_

private

Definition at line 86 of file maitlandSmith.H.

Referenced by maitlandSmith::read(), and maitlandSmith::unscaledEnergy().

gamma_

scalar gamma_

private

Definition at line 87 of file maitlandSmith.H.

Referenced by maitlandSmith::read(), and maitlandSmith::unscaledEnergy().

rm_

scalar rm_

private

Definition at line 88 of file maitlandSmith.H.

Referenced by maitlandSmith::read(), and maitlandSmith::unscaledEnergy().

epsilon_

scalar epsilon_

private

Definition at line 89 of file maitlandSmith.H.

Referenced by maitlandSmith::read(), and maitlandSmith::unscaledEnergy().

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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