Commit bc5809e0 by Francois Gygi

rescale facs when ecuts>0


git-svn-id: http://qboxcode.org/svn/qb/trunk@390 cba15fb0-1239-40c8-b417-11db7ca47a34
parent a6b2565f
......@@ -3,7 +3,7 @@
// MDWavefunctionStepper.C
//
////////////////////////////////////////////////////////////////////////////////
// $Id: MDWavefunctionStepper.C,v 1.5 2004-11-10 22:35:23 fgygi Exp $
// $Id: MDWavefunctionStepper.C,v 1.6 2005-04-29 18:13:48 fgygi Exp $
#include "MDWavefunctionStepper.h"
#include "Wavefunction.h"
......@@ -20,9 +20,8 @@ MDWavefunctionStepper::MDWavefunctionStepper(Sample& s, TimerMap& tmap) :
const double emass = s_.ctrl.emass;
dt2bye_ = (emass == 0.0) ? 0.5 / wf_.ecut() : dt_*dt_/emass;
// divide dt2bye by facs coefficient if stress == ON
//!! next test should be if s_.ctrl.ecuts > 0.0
if ( s_.ctrl.stress == "ON" )
// divide dt2bye by facs coefficient if confinement is on (ecuts>0)
if ( s_.ctrl.ecuts > 0.0 )
dt2bye_ /= s_.ctrl.facs;
}
......
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