Classes

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

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

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.

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.