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maitlandSmith Class Reference

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

#include <potential/maitlandSmith.H>


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

Definition at line 77 of file maitlandSmith.H.

+ Inheritance diagram for maitlandSmith:
+ Collaboration diagram for maitlandSmith:

List of all members.

Public Member Functions

 TypeName ("maitlandSmith")
 Runtime type information.
 maitlandSmith (const word &name, const dictionary &pairPotentialProperties)
 Construct from components.
 ~maitlandSmith ()
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 ()
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 dictionarypairPotentialProperties () const
bool writeEnergyAndForceTables (Ostream &os) const

Additional Inherited Members

- Static Public Member Functions inherited from pairPotential
static autoPtr< pairPotentialNew (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 &)
 Disallow copy construct.
void operator= (const pairPotential &)
 Disallow default bitwise assignment.
- Protected Attributes inherited from pairPotential
word name_
dictionary pairPotentialProperties_
scalar rCut_
scalar rCutSqr_
scalar rMin_
scalar dr_
List< scalar > forceLookup_
List< scalar > energyLookup_
energyScalingFunctionesfPtr_
bool writeTables_

Constructor & Destructor Documentation

maitlandSmith ( const word name,
const dictionary pairPotentialProperties 
)

Construct from components.

Definition at line 51 of file maitlandSmith.C.

~maitlandSmith ( )
inline

Definition at line 109 of file maitlandSmith.H.


Member Function Documentation

TypeName ( "maitlandSmith"  )

Runtime type information.

scalar unscaledEnergy ( const scalar  r) const
virtual

Implements pairPotential.

Definition at line 69 of file maitlandSmith.C.

References Foam::pow().

bool read ( const dictionary pairPotentialProperties)
virtual

Read dictionary.

Implements pairPotential.

Definition at line 81 of file maitlandSmith.C.

References dictionary::lookup(), and dictionary::subDict().


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