Commit dec1d07e by Francois Gygi

Added debug of imag(c(G=0)), empty rows.


git-svn-id: http://qboxcode.org/svn/qb/trunk@767 cba15fb0-1239-40c8-b417-11db7ca47a34
parent 4d93cdec
......@@ -15,7 +15,7 @@
// BOSampleStepper.C
//
////////////////////////////////////////////////////////////////////////////////
// $Id: BOSampleStepper.C,v 1.55 2010-02-20 23:13:02 fgygi Exp $
// $Id: BOSampleStepper.C,v 1.56 2010-04-07 03:18:55 fgygi Exp $
#include "BOSampleStepper.h"
#include "EnergyFunctional.h"
......@@ -485,7 +485,20 @@ void BOSampleStepper::step(int niter)
} // if !gs_only
// Recalculate ground state wavefunctions
#ifdef DEBUG
double sum = s_.wf.sd(0,0)->empty_row_error() ;
if ( onpe0 )
{
cout.setf(ios::scientific,ios::floatfield);
cout << " sd empty row error: " << sum << endl;
}
sum = s_.wf.sd(0,0)->g0_imag_error() ;
if ( onpe0 )
{
cout.setf(ios::scientific,ios::floatfield);
cout << " sd g0 imag error: " << sum << endl;
}
#endif
// wavefunction extrapolation
if ( atoms_move && extrapolate_wf )
{
......
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