Commit e9b65866 by Francois Gygi

Fix SlaterDet::init so it can deal correctly with the case where there

are fewer rods in the basis set than tasks in a process column.
Partial fix of bug 25.


git-svn-id: http://qboxcode.org/svn/qb/trunk@914 cba15fb0-1239-40c8-b417-11db7ca47a34
parent 967bd17d
......@@ -211,9 +211,15 @@ void SlaterDet::init(void)
value = s2i;
// find process row holding the smallest g vector
double kpg2 = basis_->kpg2(basis_->isort(ismallest));
// kpg2: size^2 of smallest vector on this task
// set kpg2 to largest double value if localsize == 0
double kpg2 = numeric_limits<double>::max();
if ( basis_->localsize() > 0 )
{
kpg2 = basis_->kpg2(basis_->isort(ismallest));
}
// cout << "smallest vector on proc " << ctxt_.mype()
// << " has norm " << g2 << endl;
// << " has norm " << kpg2 << endl;
int minrow, mincol;
ctxt_.dmin('c',' ',1,1,&kpg2,1,&minrow,&mincol,1,-1,-1);
......
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