Inheritance diagram for InstanceController:

Public Member Functions
	InstanceController (CkMigrateMessage *m)

void	init ()

void	doneInit (CkReductionMsg *msg)

void	initCookie (ICCookieMsg *msg)

void	printEnergyHart (CkReductionMsg *msg)

void	printEnergyEexc (CkReductionMsg *msg)

void	printFictEke (CkReductionMsg *msg)
	Print out Fict CP KE and send it to the energy group /////////////////////////////////////////////////////////////////////////// ///////////////////////////////////////////////////////////////////////////.

void	allDoneCPForces (CkReductionMsg *m)
	When ALL the cp forces are done, you can integrate the atoms. More...

void	allDoneCPForcesAllKPoint (CkReductionMsg *m)

void	printEnergyEke (CkReductionMsg *m)
	Print out Quantum KE and put all the energies into the message group /////////////////////////////////////////////////////////////////////////// ///////////////////////////////////////////////////////////////////////////.

void	cleanExit (CkReductionMsg *m)
	When the simulation is done on each instance, make a clean exit this gets called by each instance.

void	cleanExitAll (CkReductionMsg *m)
	When the simulation is done, make a clean exit this gets called on the 0th element when everyone calls cleanExit.

void	acceptNewTemperature (double temp)

void	useNewTemperature (double temp)

void	atomsDoneNewTemp (CkReductionMsg *m)

void	gspDoneNewTemp (CkReductionMsg *m)

void	fmagMinTest (CkReductionMsg *m)

Public Attributes
double	Timer

CProxySection_CP_State_GSpacePlane	gTemperBeadProxy

Private Attributes
int	done_init

int	numKpointforces

bool	atomsTempDone

bool	gspTempDone

CkSectionInfo	allKPcookie

Detailed Description

Definition at line 15 of file InstanceController.h.

Member Function Documentation

void InstanceController::allDoneCPForces ( CkReductionMsg * m )

When ALL the cp forces are done, you can integrate the atoms.

Could be made slicker by using knowledge of which gpsace chares are on each processor and coordinating that with atom launch. cklocalbranch->count_psi_forc++; zeroed in atms grp constructor and incremented could be incremented in launch atoms. If(cklocalbranch->count_psi_forc==numgspacethisproc){ atomsgrpproxy(myid).startrealspaceforces(); } That is, you only need to know that all the forces are complete on each PROCECESSOR and you can go ahead to the atoms. The atoms are a group which needs to contribute atom forces to a reduction. If all the forces aren't in there, you can't start the reduction

Definition at line 394 of file InstanceController.C.

References mCastGrpId.

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

Public Member Functions

Public Attributes

Private Attributes

Detailed Description

Member Function Documentation