Commit 4114f6e6 by Francois Gygi

Removed psda_enhancement_factor


git-svn-id: http://qboxcode.org/svn/qb/trunk@582 cba15fb0-1239-40c8-b417-11db7ca47a34
parent 449cb97a
......@@ -3,7 +3,7 @@
// PSDAWavefunctionStepper.C
//
////////////////////////////////////////////////////////////////////////////////
// $Id: PSDAWavefunctionStepper.C,v 1.16 2008-02-12 05:39:18 fgygi Exp $
// $Id: PSDAWavefunctionStepper.C,v 1.17 2008-03-21 00:27:37 fgygi Exp $
#include "PSDAWavefunctionStepper.h"
#include "Wavefunction.h"
......@@ -61,11 +61,6 @@ void PSDAWavefunctionStepper::update(Wavefunction& dwf)
const int ngwl = wf_.sd(ispin,ikp)->basis().localsize();
const int nloc = wf_.sd(ispin,ikp)->c().nloc();
// next line: add enhancement factor to descent direction
// since there is no instability of the Anderson iteration
// This improves convergence in most cases
const double psda_enhancement_factor = 2.0;
for ( int n = 0; n < nloc; n++ )
{
// note: double mloc length for complex<double> indices
......@@ -74,8 +69,8 @@ void PSDAWavefunctionStepper::update(Wavefunction& dwf)
for ( int i = 0; i < ngwl; i++ )
{
const double fac = diag[i];
const double f0 = -psda_enhancement_factor*fac * dcn[2*i];
const double f1 = -psda_enhancement_factor*fac * dcn[2*i+1];
const double f0 = -fac * dcn[2*i];
const double f1 = -fac * dcn[2*i+1];
dcn[2*i] = f0;
dcn[2*i+1] = f1;
}
......
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