Public Member Functions | List of all members
lennardJones Class Reference
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Public Member Functions

 TypeName ("lennardJones")
 Runtime type information. More...
 
 lennardJones (const word &name, const dictionary &pairPotentialProperties)
 Construct from components. More...
 
 ~lennardJones ()
 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 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. 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_
 
energyScalingFunctionesfPtr_
 
bool writeTables_
 

Detailed Description

Source files

Definition at line 50 of file lennardJones.H.

Constructor & Destructor Documentation

◆ lennardJones()

lennardJones ( const word name,
const dictionary pairPotentialProperties 
)

Construct from components.

Definition at line 51 of file lennardJones.C.

◆ ~lennardJones()

~lennardJones ( )
inline

Destructor.

Definition at line 79 of file lennardJones.H.

References lennardJones::read(), and lennardJones::unscaledEnergy().

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Member Function Documentation

◆ TypeName()

TypeName ( "lennardJones"  )

Runtime type information.

◆ unscaledEnergy()

scalar unscaledEnergy ( const scalar  r) const
virtual

Implements pairPotential.

Definition at line 67 of file lennardJones.C.

Referenced by lennardJones::~lennardJones().

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◆ read()

bool read ( const dictionary pairPotentialProperties)
virtual

Read dictionary.

Implements pairPotential.

Definition at line 79 of file lennardJones.C.

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

Referenced by lennardJones::~lennardJones().

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