sc::DistShellPair - Distributes shell pairs either statically or dynamically.
Contents
Constructor & Destructor Documentation
sc::DistShellPair::DistShellPair(constRef<MessageGrp>&,intnthread,intmythread,constRef<ThreadLock>&lock,constRef<GaussianBasisSet>&bs1,constRef<GaussianBasisSet>&bs2,booldynamic,SharedData*shared=0)
The DistShellPair class is used to distribute shell pair indices among tasks. Both static (round-robin)
and dynamic methods are supported.
Detailed Description
Distributes shell pairs either statically or dynamically.
Member Function Documentation
intsc::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.
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.
PublicMemberFunctionsDistShellPair (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.
