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.
Distributes shell pairs either statically or dynamically.
Constructor & Destructor Documentation
Member Function Documentation
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.
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