step/stepcore

StepCore::GasLJForce

StepCore::GasLJForce Class Reference
[Physical forces]

#include <gas.h>

Inheritance diagram for StepCore::GasLJForce:

[legend]

List of all members.

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.


Public Member Functions
void	calcForce (bool calcVariances)
double	cutoff () const
double	depth () const
	GasLJForce (double depth=1, double rmin=1, double cutoff=HUGE_VAL)
GasLJForceErrors *	gasLJForceErrors ()
double	rmin () const
void	setCutoff (double cutoff)
void	setDepth (double depth)
void	setRmin (double rmin)
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

Constructor & Destructor Documentation

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

Constructs GasLJForce.

Definition at line 89 of file gas.cc.

Member Function Documentation

void StepCore::GasLJForce::calcABC ( ) [protected]

Definition at line 95 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 104 of file gas.cc.

ObjectErrors* StepCore::GasLJForce::createObjectErrors ( ) [inline, protected, virtual]

For internal use only.

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:

step/stepcore

StepCore::GasLJForce Class Reference [Physical forces]

Detailed Description

Public Member Functions

Protected Member Functions

Protected Attributes

Constructor & Destructor Documentation

Member Function Documentation

Member Data Documentation

step/stepcore

kdeedu

StepCore::GasLJForce Class Reference
[Physical forces]