#include <gas.h>

Inheritance diagram for StepCore::GasLJForce:

Public Member Functions
	GasLJForce (double depth=1, double rmin=1, double cutoff=HUGE_VAL)

void	calcForce (bool calcVariances)

double	cutoff () const

double	depth () const

GasLJForceErrors *	gasLJForceErrors ()

double	rmin () const

void	setCutoff (double cutoff)

void	setDepth (double depth)

void	setRmin (double rmin)

Public Member Functions inherited from StepCore::Item
	Item (const QString &name=QString())

	Item (const Item &item)

virtual	~Item ()

Color	color () const

void	deleteObjectErrors ()

ItemGroup *	group () const

ObjectErrors *	objectErrors ()

Item &	operator= (const Item &item)

void	setColor (Color color)

virtual void	setGroup (ItemGroup *group)

virtual void	setWorld (World *world)

ObjectErrors *	tryGetObjectErrors () const

World *	world () const

virtual void	worldItemRemoved (Item *item STEPCORE_UNUSED)

Public Member Functions inherited from StepCore::Object
	Object (const QString &name=QString())

virtual	~Object ()

const QString &	name () const

void	setName (const QString &name)

Public Member Functions inherited from StepCore::Force
virtual	~Force ()

Protected Member Functions
void	calcABC ()

ObjectErrors *	createObjectErrors ()

Protected Attributes
double	_a

double	_b

double	_c

double	_cutoff

double	_depth

double	_rmin

double	_rmin12

double	_rmin6

Protected Attributes inherited from StepCore::Object
QString	_name

Detailed Description

Lennard-Jones force with cut-off which acts between particles in the Gas.

The force acts between pairs of GasParticle and equals:

$\begin{eqnarray*} \overrightarrow{f} = & 12 \epsilon \left( \frac{ r_{min}^{12} }{ r^{13} } - \frac{ r_{min}^{6} }{ r^{7} } \right) \frac{\overrightarrow{r}}{r} & \mbox{ if } r<\mbox{cutoff} \\ \overrightarrow{f} = & 0 & \mbox{ if } r \ge \mbox{cutoff} \end{eqnarray*}$

where:
$\epsilon$ is the depth of the potential
$r_{min}$ is the distance at which the interparticle force is zero
$\overrightarrow{r}$ is difference of GasParticle::position of the first and second particle
$\mbox{cutoff}$ is a cut-off distance (can be set to infinity)

Definition at line 99 of file gas.h.

Constructor & Destructor Documentation

StepCore::GasLJForce::GasLJForce	(	double	depth = `1`,
		double	rmin = `1`,
		double	cutoff = `HUGE_VAL`
	)

explicit

Constructs GasLJForce.

Member Function Documentation

void StepCore::GasLJForce::calcABC ( )

protected

Definition at line 96 of file gas.cc.

void StepCore::GasLJForce::calcForce ( bool calcVariances )

virtual

Calculate force.

Bodies can be accessed through this->world()->bodies()

Implements StepCore::Force.

Definition at line 105 of file gas.cc.

ObjectErrors* StepCore::GasLJForce::createObjectErrors ( )

inlineprotectedvirtual

Creates specific ObjectErrors-derived class (to be reimplemented in derived classes)

Reimplemented from StepCore::Item.

Definition at line 129 of file gas.h.

double StepCore::GasLJForce::cutoff ( ) const

inline

Get cut-off distance.

Definition at line 120 of file gas.h.

double StepCore::GasLJForce::depth ( ) const

inline

Get depth of the potential.

Definition at line 110 of file gas.h.

GasLJForceErrors* StepCore::GasLJForce::gasLJForceErrors ( )

inline

Get (and possibly create) GasLJForceErrors object.

Definition at line 125 of file gas.h.

double StepCore::GasLJForce::rmin ( ) const

inline

Get distance at which the interparticle force is zero.

Definition at line 115 of file gas.h.

void StepCore::GasLJForce::setCutoff ( double cutoff )

inline

Set cut-off distance.

Definition at line 122 of file gas.h.

void StepCore::GasLJForce::setDepth ( double depth )

inline

Set depth of the potential.

Definition at line 112 of file gas.h.

void StepCore::GasLJForce::setRmin ( double rmin )

inline

Set distance at which the interparticle force is zero.

Definition at line 117 of file gas.h.

Member Data Documentation

double StepCore::GasLJForce::_a

protected

Definition at line 135 of file gas.h.

double StepCore::GasLJForce::_b

protected

Definition at line 135 of file gas.h.

double StepCore::GasLJForce::_c

protected

Definition at line 135 of file gas.h.

double StepCore::GasLJForce::_cutoff

protected

Definition at line 134 of file gas.h.

double StepCore::GasLJForce::_depth

protected

Definition at line 132 of file gas.h.

double StepCore::GasLJForce::_rmin

protected

Definition at line 133 of file gas.h.

double StepCore::GasLJForce::_rmin12

protected

Definition at line 136 of file gas.h.

double StepCore::GasLJForce::_rmin6

protected

Definition at line 136 of file gas.h.

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

gas.h
gas.cc

step/stepcore

Public Member Functions

Protected Member Functions

Protected Attributes

Detailed Description

Constructor & Destructor Documentation

Member Function Documentation

Member Data Documentation

step/stepcore

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