Inheritance diagram for PIBeadAtoms:

Public Member Functions
	PIBeadAtoms (CkMigrateMessage *m)

	PIBeadAtoms (UberCollection _thisInstance, int _numBeads, int _natm)
	NOTE: thisIndex == atomIndex. More...

	PIBeadAtoms (int)

void	accept_PIMD_Fx (AtomXYZMsg *msg)

void	accept_PIMD_Fx_and_x (AtomXYZMsg *msg)

void	accept_PIMD_x (double _x, double _y, double _z, int PIBeadIndex)

void	accept_PIMD_u (double _xu, double _yu, double _zu, int PIBeadIndex)

	PIBeadAtoms (int)

void	compute_PIMD_Fu ()

void	compute_PIMD_u ()

void	compute_PIMD_x ()

void	output_PIMD_u ()

void	output_PIMD_x ()

void	zero_PIMD_u ()

void	zero_PIMD_x ()

void	zero_PIMD_fu ()

void	energy_PIMD_u ()

void	energy_PIMD_x ()

void	modelpot_PIMD_x (double *)

void	checkUforce ()

Private Member Functions
void	compute_PIMD_Fu ()

void	compute_PIMD_u ()

void	compute_PIMD_x ()

void	output_PIMD_u ()
	useful for debugging /////////////////////////////////////////////////////////////////////////// ///////////////////////////////////////////////////////////////////////////

void	output_PIMD_x ()
	useful for debugging /////////////////////////////////////////////////////////////////////////// ///////////////////////////////////////////////////////////////////////////

void	zero_PIMD_u ()
	useful for debugging /////////////////////////////////////////////////////////////////////////// ///////////////////////////////////////////////////////////////////////////

void	zero_PIMD_x ()
	useful for debugging /////////////////////////////////////////////////////////////////////////// ///////////////////////////////////////////////////////////////////////////

void	zero_PIMD_fu ()
	useful for debugging /////////////////////////////////////////////////////////////////////////// ///////////////////////////////////////////////////////////////////////////

void	energy_PIMD_u ()
	useful for debugging /////////////////////////////////////////////////////////////////////////// ///////////////////////////////////////////////////////////////////////////

void	energy_PIMD_x ()
	useful for debugging /////////////////////////////////////////////////////////////////////////// ///////////////////////////////////////////////////////////////////////////

void	modelpot_PIMD_x (double *)
	useful for debugging /////////////////////////////////////////////////////////////////////////// ///////////////////////////////////////////////////////////////////////////

void	checkUforce ()
	useful for debugging /////////////////////////////////////////////////////////////////////////// ///////////////////////////////////////////////////////////////////////////

Private Attributes
const UberCollection	thisInstance

int	numBeads

int	natm

double *	x

double *	y

double *	z

double *	xu

double *	yu

double *	zu

double *	fx

double *	fy

double *	fz

double *	fxu

double *	fyu

double *	fzu

double *	rat1

double *	rat2

double *	veig

int	acceptCount_Fx

int	acceptCount_u

int	acceptCount_x

Detailed Description

Definition at line 44 of file PIBeadAtoms.h.

Constructor & Destructor Documentation

PIBeadAtoms::PIBeadAtoms	(	UberCollection	_thisInstance,
		int	_numBeads,
		int	_natm
	)

NOTE: thisIndex == atomIndex.

CkPrintf("{%d}[%d] PIBeadAtoms::PIBeadAtoms numbeads %d\n",thisInstance.proxyOffset,thisIndex, numBeads);

Initialize magic ratios

Initialize communication counters

Definition at line 23 of file PIBeadAtoms.C.

PIBeadAtoms::PIBeadAtoms ( int numBeads_dum )

printf("{%d}[%d] PIBeadAtoms::PIBeadAtoms numbeads %d\n",thisInstance.proxyOffset,thisIndex, numBeads);

Initialize magic ratios

Definition at line 89 of file PIBeadAtoms_dbg.C.

Member Function Documentation

void PIBeadAtoms::accept_PIMD_Fx_and_x ( AtomXYZMsg * msg )

atomdest[PIBeadIndex]=atomdest;

Definition at line 110 of file PIBeadAtoms.C.

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

Public Member Functions

Private Member Functions

Private Attributes

Detailed Description

Constructor & Destructor Documentation

Member Function Documentation