glotzmd::DzugutovPotential Class Reference

implements the Dzugutov pair potential More...

#include <DzugutovPotential.h>

Inheritance diagram for glotzmd::DzugutovPotential:

List of all members.

Public Member Functions
	DzugutovPotential ()
	~DzugutovPotential ()
DzugutovPotential *	Clone ()
	Clone constructor.
void	ComputeForce (InteractingObject *const, InteractingObject *const, const glotz_vec &, const glotz_flt)
void	ComputeShiftedForce (InteractingObject *const, InteractingObject *const, const glotz_vec &, const glotz_flt, const glotz_flt)
glotz_flt	GetCutoff () const
	Gets the interaction cutoff.
glotz_flt	GetOverlapCutoff () const
	Gets the overlap cutoff.
Private Attributes
const glotz_flt	mCutoff
const glotz_flt	mCutoffSq

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Detailed Description

implements the Dzugutov pair potential

Author:

Aaron Keys

Note:

the Dzugutov potential involves expensive exp() calculations; therefore, it is more efficient to implement it as a table lookup.

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Constructor & Destructor Documentation

glotzmd::DzugutovPotential::DzugutovPotential

(

)

glotzmd::DzugutovPotential::~DzugutovPotential

(

)

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Member Function Documentation

DzugutovPotential * glotzmd::DzugutovPotential::Clone

(

)

[virtual]

Clone constructor.

Reimplemented from glotzmd::Potential.

void glotzmd::DzugutovPotential::ComputeForce	(	InteractingObject * const	obj1,
		InteractingObject * const	obj2,
		const glotz_vec &	rij,
		const	glotz_flt
	)			[inline, virtual]

Implements glotzmd::Potential.

void glotzmd::DzugutovPotential::ComputeShiftedForce	(	InteractingObject * const	obj1,
		InteractingObject * const	obj2,
		const glotz_vec &	rij,
		const	glotz_flt,
		const	glotz_flt
	)			[inline, virtual]

Implements glotzmd::Potential.

glotz_flt glotzmd::DzugutovPotential::GetCutoff

(

)

const [virtual]

Gets the interaction cutoff.

Returns:

the potential cutoff

Note:

if no cutoff is defined by the inherited potential default the cutoff is 1e6

Reimplemented from glotzmd::Potential.

glotz_flt glotzmd::DzugutovPotential::GetOverlapCutoff

(

)

const [virtual]

Gets the overlap cutoff.

This function is used in interpolation

Returns:

the overlap cutoff

Note:

if no overlap cutoff is defined, will return 0.0.

Reimplemented from glotzmd::Potential.

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Member Data Documentation

const glotz_flt glotzmd::DzugutovPotential::mCutoff [private]

const glotz_flt glotzmd::DzugutovPotential::mCutoffSq [private]

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

• Glotzilla/src/glotzmd/trunk/SourceCode/DzugutovPotential.h
• Glotzilla/src/glotzmd/trunk/SourceCode/DzugutovPotential.cpp

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