Commit 0f9026aa by Francois Gygi

SlaterDet::init: modify to cover the case of small basis set on many tasks,

where ismallest > basis_->localsize.
Partial fix of bug 25.


git-svn-id: http://qboxcode.org/svn/qb/trunk@915 cba15fb0-1239-40c8-b417-11db7ca47a34
parent e9b65866
......@@ -15,7 +15,6 @@
// SlaterDet.C
//
////////////////////////////////////////////////////////////////////////////////
// $Id: SlaterDet.C,v 1.63 2010-05-10 20:48:58 fgygi Exp $
#include "SlaterDet.h"
#include "FourierTransform.h"
......@@ -214,7 +213,7 @@ void SlaterDet::init(void)
// 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 )
if ( ismallest < basis_->localsize() )
{
kpg2 = basis_->kpg2(basis_->isort(ismallest));
}
......
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