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NEIGHBOR Class Reference

header for the neighbor class. More...

#include <neighbor.h++>

List of all members.

Public Methods
	NEIGHBOR (void)
	constructor. More...
	~NEIGHBOR (void)
	destrictor. More...
void	init (SIMVARS &simvars, COORDS &coords)
	initialization with simulation vars and coordinates. More...
void	update (COORDS &coords)
	checks to see on needs to update the neighborlist. More...
int	interact (void)
	get the interaction lists. More...
void	setintr (void)
	sets the interaction list to -1 (ie restart the list). More...
int	getintrnow (void)
	returns the number of interactions that are in ip at the current state. More...
int*	getip (void)
	returns point to interaction list. More...
int*	getipmap (void)
	returns point to interaction map. More...
double*	getxi (void)
	returns pointer to temp buffer. More...
double*	getrecbuf (void)
	returns pointer to receive buffer. More...
int	getnmp (void)
	returns number of atoms in on this processor. More...
int	getipair (void)
	returns the type of pair list (ie the neighbor list type). More...
double*	initMypart (COORDS &coords)
	maps the coordinates onto this processors memory). More...
void	getcm (double[],double[])
	gathers particles onto centrial processor (ie for writing etc). More...
void	addExclude (int i, int j)
	add i and j to the exclucion list. More...
void	printExclude (void)
	prints the exclusion list. More...
Private Methods
void	checkSkin (COORDS &coords)
void	getVlist (double x[])
int	nolist (void)
int	vl (void)
int	interLink (void)
int	getLink (int ic, int ip[])
void	getLnklist (double x[],int npnow)
void	updateLink (COORDS &coords)
void	recvcoords (double x[],double v[],int proc[])
void	sendcoords (int np, int ipm[],int jcell, double x[],double v[])
void	servReq (double x[])
int	recvReq (int ipend[],double[])
void	recvcdsm (double x[],double v[],int proc[])
int	packxi (int,int,int[],int[],double[],double[],int[],double[])
int	packxi (int,int,int[],int[],int[])
int	exclude (int, int)
Private Attributes
int	nintr
int	nix
int	nmol
int	nnow
int	nmp
int	nmpm
int	ipair
int	iperd
int	size
int	rank
int	ncell
int	memvl
int	nvl
int	nexcl
int*	ip
int *	ipvl
int *	hlist
int *	llist
int *	nlist
int **	exclij
int*	ipmap
int *	disp
int *	counts
int *	icpmap
double*	xi
double *	xdis
double *	recbuf
double *	xmpart
double	skin
double	rcut

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Detailed Description

header for the neighbor class.

Definition at line 11 of file neighbor.h++.

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Constructor & Destructor Documentation

NEIGHBOR::NEIGHBOR ( void )

constructor. Definition at line 7 of file neighbor.cc.

NEIGHBOR::~NEIGHBOR ( void )

destrictor. Definition at line 16 of file neighbor.cc.

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Member Function Documentation

void NEIGHBOR::addExclude ( int i, int j )

add i and j to the exclucion list. Definition at line 48 of file neighbor.cc. Referenced by setup().

void NEIGHBOR::checkSkin ( COORDS & coords ) [private]

checks old positions agains new posistions to see if neigbor list needs to be updated Definition at line 112 of file ngbrlist.cc. Referenced by init(), and update().

int NEIGHBOR::exclude ( int i, int j ) [private]

Definition at line 62 of file neighbor.cc. Referenced by getVlist(), interLink(), nolist(), and packxi().

int NEIGHBOR::getLink ( int ic, int ip[] ) [private]

Definition at line 97 of file ngbrlink.cc. Referenced by interLink().

void NEIGHBOR::getLnklist ( double x[], int npnow ) [private]

Definition at line 56 of file ngbrlink.cc. Referenced by initMypart(), and updateLink().

void NEIGHBOR::getVlist ( double x[] ) [private]

do a N^2 search for neighbors Warning: we should to a link-list O(N) search for neighbors Definition at line 33 of file ngbrlist.cc. Referenced by checkSkin().

void NEIGHBOR::getcm ( double x[], double v[] )

gathers particles onto centrial processor (ie for writing etc). get the data onto the centrial processor Definition at line 135 of file ngbrpara.cc. Referenced by saveRestart(), save_rest(), storeConf(), and store_conf().

int NEIGHBOR::getintrnow ( void ) [inline]

returns the number of interactions that are in ip at the current state. Definition at line 54 of file neighbor.h++. Referenced by forceSR(), and potSR().

int * NEIGHBOR::getip ( void ) [inline]

returns point to interaction list. Definition at line 56 of file neighbor.h++. Referenced by d2_lj(), forceSR(), and potSR().

int NEIGHBOR::getipair ( void ) [inline]

returns the type of pair list (ie the neighbor list type). Definition at line 66 of file neighbor.h++. Referenced by forceSR(), and potSR().

int * NEIGHBOR::getipmap ( void ) [inline]

returns point to interaction map. Definition at line 58 of file neighbor.h++. Referenced by startvv(), and stepvv().

int NEIGHBOR::getnmp ( void ) [inline]

returns number of atoms in on this processor. Definition at line 64 of file neighbor.h++. Referenced by getke(), startvv(), and stepvv().

double * NEIGHBOR::getrecbuf ( void ) [inline]

returns pointer to receive buffer. Definition at line 62 of file neighbor.h++. Referenced by forceSR().

double * NEIGHBOR::getxi ( void ) [inline]

returns pointer to temp buffer. Definition at line 60 of file neighbor.h++. Referenced by d2_lj().

void NEIGHBOR::init ( SIMVARS & simvars, COORDS & coords )

initialization with simulation vars and coordinates. Definition at line 74 of file neighbor.cc. Referenced by setup().

double * NEIGHBOR::initMypart ( COORDS & coords )

maps the coordinates onto this processors memory). initializes myparticales Definition at line 84 of file ngbrpara.cc. Referenced by startvv().

int NEIGHBOR::interLink ( void ) [private]

Definition at line 140 of file ngbrlink.cc. Referenced by interact().

int NEIGHBOR::interact ( void )

get the interaction lists. Definition at line 163 of file neighbor.cc. Referenced by forceSR(), and potSR().

int NEIGHBOR::nolist ( void ) [private]

get the next neighbors in the list using the no lists O(N^2) Definition at line 152 of file ngbrlist.cc. Referenced by interact().

int NEIGHBOR::packxi ( int ni, int nj, int ibuf[], int jbuf[], int ip[] ) [private]

Definition at line 124 of file ngbrlink.cc.

int NEIGHBOR::packxi ( int ni, int nj, int ibuf[], int jbuf[], double xib[], double xjb[], int ip[], double xi[] ) [private]

Definition at line 105 of file ngbrlink.cc. Referenced by interLink().

void NEIGHBOR::printExclude ( void )

prints the exclusion list. Definition at line 32 of file neighbor.cc.

int NEIGHBOR::recvReq ( int ipend[], double[] ) [private]

Referenced by interLink().

void NEIGHBOR::recvcdsm ( double x[], double v[], int proc[] ) [private]

Referenced by getcm().

void NEIGHBOR::recvcoords ( double x[], double v[], int proc[] ) [private]

Referenced by updateLink().

void NEIGHBOR::sendcoords ( int np, int ipm[], int jcell, double x[], double v[] ) [private]

Referenced by updateLink().

void NEIGHBOR::servReq ( double x[] ) [private]

Referenced by interLink().

void NEIGHBOR::setintr ( void ) [inline]

sets the interaction list to -1 (ie restart the list). Definition at line 52 of file neighbor.h++. Referenced by forceSR(), and potSR().

void NEIGHBOR::update ( COORDS & coords )

checks to see on needs to update the neighborlist. Definition at line 143 of file neighbor.cc. Referenced by stepvv().

void NEIGHBOR::updateLink ( COORDS & coords ) [private]

Definition at line 305 of file ngbrlink.cc. Referenced by update().

int NEIGHBOR::vl ( void ) [private]

get the next neighbors in the list using the verlet list O(N) Definition at line 13 of file ngbrlist.cc. Referenced by interact().

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Member Data Documentation

int * NEIGHBOR::counts [private]

Definition at line 17 of file neighbor.h++.

int * NEIGHBOR::disp [private]

Definition at line 17 of file neighbor.h++.

int ** NEIGHBOR::exclij [private]

Definition at line 16 of file neighbor.h++.

int * NEIGHBOR::hlist [private]

Definition at line 16 of file neighbor.h++.

int * NEIGHBOR::icpmap [private]

Definition at line 17 of file neighbor.h++.

int * NEIGHBOR::ip [private]

Definition at line 16 of file neighbor.h++.

int NEIGHBOR::ipair [private]

Definition at line 14 of file neighbor.h++.

int NEIGHBOR::iperd [private]

Definition at line 14 of file neighbor.h++.

int * NEIGHBOR::ipmap [private]

Definition at line 17 of file neighbor.h++.

int * NEIGHBOR::ipvl [private]

Definition at line 16 of file neighbor.h++.

int * NEIGHBOR::llist [private]

Definition at line 16 of file neighbor.h++.

int NEIGHBOR::memvl [private]

Definition at line 15 of file neighbor.h++.

int NEIGHBOR::ncell [private]

Definition at line 14 of file neighbor.h++.

int NEIGHBOR::nexcl [private]

Definition at line 15 of file neighbor.h++.

int NEIGHBOR::nintr [private]

Definition at line 14 of file neighbor.h++.

int NEIGHBOR::nix [private]

Definition at line 14 of file neighbor.h++.

int * NEIGHBOR::nlist [private]

Definition at line 16 of file neighbor.h++.

int NEIGHBOR::nmol [private]

Definition at line 14 of file neighbor.h++.

int NEIGHBOR::nmp [private]

Definition at line 14 of file neighbor.h++.

int NEIGHBOR::nmpm [private]

Definition at line 14 of file neighbor.h++.

int NEIGHBOR::nnow [private]

Definition at line 14 of file neighbor.h++.

int NEIGHBOR::nvl [private]

Definition at line 15 of file neighbor.h++.

int NEIGHBOR::rank [private]

Definition at line 14 of file neighbor.h++.

double NEIGHBOR::rcut [private]

Definition at line 19 of file neighbor.h++.

double * NEIGHBOR::recbuf [private]

Definition at line 18 of file neighbor.h++.

int NEIGHBOR::size [private]

Definition at line 14 of file neighbor.h++.

double NEIGHBOR::skin [private]

Definition at line 19 of file neighbor.h++.

double * NEIGHBOR::xdis [private]

Definition at line 18 of file neighbor.h++.

double * NEIGHBOR::xi [private]

Definition at line 18 of file neighbor.h++.

double * NEIGHBOR::xmpart [private]

Definition at line 18 of file neighbor.h++.

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

• neighbor.h++
• neighbor.cc
• ngbrlink.cc
• ngbrlist.cc
• ngbrpara.cc

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