algorithms::ls::Box Class Reference

#include <Box.h>

Collaboration diagram for algorithms::ls::Box:

List of all members.

Public Member Functions
void	AssignCells ()
	Box (int N_i, double r_i, double growthrate_i, double maxpf_i)
double	CalculateCollision (int i, int j, Vector< DIM > pboffset)
void	Collision (Event e)
void	CollisionChecker (Event c)
void	CreateSphere (int Ncurrent)
void	CreateSpheres (double temp)
double	Energy ()
Event	FindNextCollision (int i)
Event	FindNextEvent (int i)
Event	FindNextTransfer (int i)
void	ForAllNeighbors (int, Vector< DIM, int >, Vector< DIM, int >, Neighbor &)
double	getEnergyChance () const
double	getFraction () const
void	GetInfo ()
int	getNumberGrids () const
double	getPressure () const
double	getRadius () const
void	getSpheres (std::vector< algorithms::geometries::SphereGeometry > &spheres) const
double	getTotalEvents () const
int	Optimalngrids (double maxpf)
void	OutputCells ()
void	OutputEvents ()
double	PackingFraction ()
void	PredictCollision (int i, int j, Vector< DIM, int > pboffset, double &ctime, int &cpartner, Vector< DIM, int > &cpartnerpboffset)
void	PrintStatistics ()
void	Process (int n)
void	ProcessEvent ()
double	QuadraticFormula (double a, double b, double c)
void	ReadPositions (const char *filename)
void	RecreateSpheres (const char *filename, double temp)
void	RunTime ()
void	SetInitialEvents ()
void	Synchronize (bool rescale)
void	TrackPositions ()
void	Transfer (Event e)
void	UpdateCell (int i, Vector< DIM, int > &celli)
double	Velocity (double temp)
void	VelocityGiver (double temp)
void	WriteConfiguration (const char *wconfigfile)
	~Box ()
Private Attributes
int *	binlist
GridField< DIM, int >	cells
time_t	end
double	energy
double	energychange
time_t	error
double	growthrate
double	gtime
Heap	h
double	maxpf
const int	N
int	nchecks
int	ncollisions
int	ncycles
int	nEventstot
int	ngrids
int	ntransfers
double	pf
double	pressure
double	r
double	rtime
Sphere *	s
time_t	start
Vector< DIM > *	x
double	xmomentum

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Detailed Description

Class Box Fills Box with hardSpheres to given packing fraction and evolves Spheres using molecular dynamics!

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Constructor & Destructor Documentation

algorithms::ls::Box::Box	(	int	N_i,
		double	r_i,
		double	growthrate_i,
		double	maxpf_i
	)

Constructor

algorithms::ls::Box::~Box

(

)

Destructor

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Member Function Documentation

void algorithms::ls::Box::AssignCells

(

)

Assign cells to Spheres read in from existing configuration

double algorithms::ls::Box::CalculateCollision	(	int	i,
		int	j,
		Vector< DIM >	pboffset
	)

Calculates collision time between i and image of j using quadratic formula

void algorithms::ls::Box::Collision

(

Event

e

)

Processes a collision

void algorithms::ls::Box::CollisionChecker

(

Event

c

)

Checks Events of predicted collision partner to keep collisions symmetric

void algorithms::ls::Box::CreateSphere

(

int

Ncurrent

)

Creates a Sphere of radius r at a random unoccupied position

void algorithms::ls::Box::CreateSpheres

(

double

temp

)

Creates all N Spheres at random positions

double algorithms::ls::Box::Energy

(

)

Computes the total energy

Event algorithms::ls::Box::FindNextCollision

(

int

i

)

Find next collision

Event algorithms::ls::Box::FindNextEvent

(

int

i

)

Finds next Event for Sphere i

Event algorithms::ls::Box::FindNextTransfer

(

int

i

)

Find next collision for Sphere i

void algorithms::ls::Box::ForAllNeighbors	(	int	i,
		Vector< DIM, int >	vl,
		Vector< DIM, int >	vr,
		Neighbor &	operation
	)

Find next collision for Sphere i

double algorithms::ls::Box::getEnergyChance

(

)

const

double algorithms::ls::Box::getFraction

(

)

const

void algorithms::ls::Box::GetInfo

(

)

Get information

int algorithms::ls::Box::getNumberGrids

(

)

const

double algorithms::ls::Box::getPressure

(

)

const

double algorithms::ls::Box::getRadius

(

)

const

void algorithms::ls::Box::getSpheres

(

std::vector< algorithms::geometries::SphereGeometry > &

spheres

)

const

Functions written by M. Lieb

double algorithms::ls::Box::getTotalEvents

(

)

const

int algorithms::ls::Box::Optimalngrids

(

double

maxpf

)

Calculates the optimal ngrids

void algorithms::ls::Box::OutputCells

(

)

Output positions of Spheres and their cells...purely used for debugging

void algorithms::ls::Box::OutputEvents

(

)

Output Event Heap...purely used for debugging

double algorithms::ls::Box::PackingFraction

(

)

Calculates the packing fraction

void algorithms::ls::Box::PredictCollision	(	int	i,
		int	j,
		Vector< DIM, int >	pboffset,
		double &	ctime,
		int &	cpartner,
		Vector< DIM, int > &	cpartnerpboffset
	)

Find next collision for Sphere i

void algorithms::ls::Box::PrintStatistics

(

)

Prints statistics for n Events

void algorithms::ls::Box::Process

(

int

n

)

Processes n Events

void algorithms::ls::Box::ProcessEvent

(

)

Processes n Events

double algorithms::ls::Box::QuadraticFormula	(	double	a,
		double	b,
		double	c
	)

Quadratic Formula ax^2 + bx + c = 0

void algorithms::ls::Box::ReadPositions

(

const char *

filename

)

ReadFile

void algorithms::ls::Box::RecreateSpheres	(	const char *	filename,
		double	temp
	)

Recreates all N Spheres at random positions

void algorithms::ls::Box::RunTime

(

)

Run time

void algorithms::ls::Box::SetInitialEvents

(

)

Finds next Events for all Spheres..do this once at beginning

void algorithms::ls::Box::Synchronize

(

bool

rescale

)

Updates Spheres to gtime, synchronizes, and can change growth rate

void algorithms::ls::Box::TrackPositions

(

)

Update positions...purely for graphical display

void algorithms::ls::Box::Transfer

(

Event

e

)

Transfer, takes care of boundary Events too

void algorithms::ls::Box::UpdateCell	(	int	i,
		Vector< DIM, int > &	celli
	)

Updates cell of a Sphere to time

double algorithms::ls::Box::Velocity

(

double

temp

)

Velocity, gives a single velocity from Max/Boltz dist.

void algorithms::ls::Box::VelocityGiver

(

double

temp

)

Velocity Giver, assigns initial velocities from Max/Boltz dist.

void algorithms::ls::Box::WriteConfiguration

(

const char *

wconfigfile

)

Write configuration

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Member Data Documentation

int* algorithms::ls::Box::binlist [private]

linked-list for cells array

GridField<DIM, int> algorithms::ls::Box::cells [private]

array that keeps track of spheres in each cell

time_t algorithms::ls::Box::end [private]

double algorithms::ls::Box::energy [private]

kinetic energy

double algorithms::ls::Box::energychange [private]

kinetic energy change

time_t algorithms::ls::Box::error [private]

double algorithms::ls::Box::growthrate [private]

growthrate of the spheres

double algorithms::ls::Box::gtime [private]

this is global clock

Heap algorithms::ls::Box::h [private]

Event heap

double algorithms::ls::Box::maxpf [private]

const int algorithms::ls::Box::N [private]

number of spheres

int algorithms::ls::Box::nchecks [private]

number of checks

int algorithms::ls::Box::ncollisions [private]

number of collisions

int algorithms::ls::Box::ncycles [private]

counts # cycles for output

int algorithms::ls::Box::nEventstot [private]

total number of Events

int algorithms::ls::Box::ngrids [private]

number of cells in one direction

int algorithms::ls::Box::ntransfers [private]

number of transfers

double algorithms::ls::Box::pf [private]

packing fraction

double algorithms::ls::Box::pressure [private]

pressure

double algorithms::ls::Box::r [private]

radius, defined at gtime = 0

double algorithms::ls::Box::rtime [private]

reset time, total time = rtime + gtime

Sphere* algorithms::ls::Box::s [private]

array of spheres

time_t algorithms::ls::Box::start [private]

run time of program

Vector<DIM>* algorithms::ls::Box::x [private]

positions of spheres.used for graphics

double algorithms::ls::Box::xmomentum [private]

exchanged momentum

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

• algorithms/ls/Box.h
• algorithms/ls/Box.cpp