azizChen Class Reference

Foam::pairPotentials::azizChen. More...

Inheritance diagram for azizChen:

Collaboration diagram for azizChen:

Public Member Functions
	TypeName ("azizChen")
	Runtime type information. More...
	azizChen (const word &name, const dictionary &pairPotentialProperties)
	Construct from components. More...
	~azizChen ()
	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	azizChenCoeffs_
scalar	epsilon_
scalar	rm_
scalar	A_
scalar	alpha_
scalar	C6_
scalar	C8_
scalar	C10_
scalar	D_
scalar	gamma_

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::azizChen.

From:

    \article{MA_Aziz_Chen,
    author = {R. A. Aziz and H. H. Chen},
    collaboration = {},
    title = {An accurate intermolecular potential for argon},
    publisher = {AIP},
    year = {1977},
    journal = {The Journal of Chemical Physics},
    volume = {67},
    number = {12},
    pages = {5719-5726},
    url = {http://link.aip.org/link/?JCP/67/5719/1},
    doi = {10.1063/1.434827}
    }

Source files

• azizChen.H
• azizChen.C

Definition at line 68 of file azizChen.H.

Constructor & Destructor Documentation

azizChen()

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

Construct from components.

Definition at line 51 of file azizChen.C.

~azizChen()

~azizChen ( )

inline

Destructor.

Definition at line 104 of file azizChen.H.

Member Function Documentation

TypeName()

TypeName

(

"azizChen"

)

Runtime type information.

unscaledEnergy()

scalar unscaledEnergy ( const scalar  r ) const

virtual

Implements pairPotential.

Definition at line 74 of file azizChen.C.

References azizChen::A_, azizChen::alpha_, azizChen::C10_, azizChen::C6_, azizChen::C8_, azizChen::D_, azizChen::epsilon_, Foam::exp(), Foam::constant::physicoChemical::F, azizChen::gamma_, Foam::pow(), azizChen::rm_, and x.

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read()

bool read ( const dictionary &  pairPotentialProperties )

virtual

Read dictionary.

Implements pairPotential.

Definition at line 99 of file azizChen.C.

References azizChen::A_, azizChen::alpha_, azizChen::azizChenCoeffs_, azizChen::C10_, azizChen::C6_, azizChen::C8_, azizChen::D_, azizChen::epsilon_, azizChen::gamma_, dictionary::lookup(), pairPotential::read(), and azizChen::rm_.

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Field Documentation

azizChenCoeffs_

dictionary azizChenCoeffs_

private

Definition at line 74 of file azizChen.H.

Referenced by azizChen::read().

epsilon_

scalar epsilon_

private

Definition at line 76 of file azizChen.H.

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

rm_

scalar rm_

private

Definition at line 77 of file azizChen.H.

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

A_

scalar A_

private

Definition at line 78 of file azizChen.H.

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

alpha_

scalar alpha_

private

Definition at line 79 of file azizChen.H.

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

C6_

scalar C6_

private

Definition at line 80 of file azizChen.H.

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

C8_

scalar C8_

private

Definition at line 81 of file azizChen.H.

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

C10_

scalar C10_

private

Definition at line 82 of file azizChen.H.

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

D_

scalar D_

private

Definition at line 83 of file azizChen.H.

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

gamma_

scalar gamma_

private

Definition at line 84 of file azizChen.H.

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

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

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