Distributes shell pairs either statically or dynamically. More...

#include <chemistry/qc/basis/distshpair.h>

Classes
class	SharedData
	This is used to store data that must be shared between all cooperating shell pairs. More...

Public Member Functions
	DistShellPair (const Ref< MessageGrp > &, int nthread, int mythread, const Ref< ThreadLock > &lock, const Ref< GaussianBasisSet > &bs1, const Ref< GaussianBasisSet > &bs2, bool dynamic, SharedData *shared=0)
	The DistShellPair class is used to distribute shell pair indices among tasks. More...

void	init ()
	Resets to the first shell pair.

void	set_debug (int d)
	How much stuff to print out.

void	set_print_percent (double p)
	How often to print status from node 0. More...

int	get_task (int &P, int &Q)
	Puts the current PQ shell pair into P and Q and returns 1. More...

Detailed Description

Distributes shell pairs either statically or dynamically.

Constructor & Destructor Documentation

◆ DistShellPair()

sc::DistShellPair::DistShellPair	(	const Ref< MessageGrp > &	,
		int	nthread,
		int	mythread,
		const Ref< ThreadLock > &	lock,
		const Ref< GaussianBasisSet > &	bs1,
		const Ref< GaussianBasisSet > &	bs2,
		bool	dynamic,
		SharedData *	shared = `0`
	)

The DistShellPair class is used to distribute shell pair indices among tasks.

Both static (round-robin) and dynamic methods are supported.

Member Function Documentation

◆ get_task()

int sc::DistShellPair::get_task	(	int &	P,
		int &	Q
	)

Puts the current PQ shell pair into P and Q and returns 1.

When there are no more shell pairs to be processed by this processor, 0 is returned. Once we start doing get_tasks, we have to go to the end if dynamic load balancing is used.

P belongs to bs1, and Q belongs to bs2. If (bs1 == bs2) then P is greater or equal to Q.

◆ set_print_percent()

void sc::DistShellPair::set_print_percent ( double p )

How often to print status from node 0.

If p > 100.0, then no printing will be done.

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

src/lib/chemistry/qc/basis/distshpair.h