NAME

       sc::DistShellPair - Distributes shell pairs either statically or dynamically.

SYNOPSIS

       #include <distshpair.h>

   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.

Detailed Description

       Distributes shell pairs either statically or dynamically.

Constructor & Destructor Documentation

   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

   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.

Author

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