Commit 89f62460 by Francois Gygi

fixed initialization of ekin_ion, temp_ion.


git-svn-id: http://qboxcode.org/svn/qb/trunk@603 cba15fb0-1239-40c8-b417-11db7ca47a34
parent 9563495d
...@@ -3,7 +3,7 @@ ...@@ -3,7 +3,7 @@
// BOSampleStepper.C // BOSampleStepper.C
// //
//////////////////////////////////////////////////////////////////////////////// ////////////////////////////////////////////////////////////////////////////////
// $Id: BOSampleStepper.C,v 1.40 2008-04-05 19:11:25 fgygi Exp $ // $Id: BOSampleStepper.C,v 1.41 2008-04-15 01:36:15 fgygi Exp $
#include "BOSampleStepper.h" #include "BOSampleStepper.h"
#include "EnergyFunctional.h" #include "EnergyFunctional.h"
...@@ -217,7 +217,7 @@ void BOSampleStepper::step(int niter) ...@@ -217,7 +217,7 @@ void BOSampleStepper::step(int niter)
} }
// at this point, positions r0, velocities v0 and forces fion are // at this point, positions r0, velocities v0 and forces fion are
// consistent // consistent
double ekin_ion, temp_ion; double ekin_ion = 0.0, temp_ion = 0.0;
if ( ionic_stepper ) if ( ionic_stepper )
{ {
ekin_ion = ionic_stepper->ekin(); ekin_ion = ionic_stepper->ekin();
......
...@@ -3,7 +3,7 @@ ...@@ -3,7 +3,7 @@
// CPSampleStepper.C // CPSampleStepper.C
// //
//////////////////////////////////////////////////////////////////////////////// ////////////////////////////////////////////////////////////////////////////////
// $Id: CPSampleStepper.C,v 1.18 2008-04-05 19:13:03 fgygi Exp $ // $Id: CPSampleStepper.C,v 1.19 2008-04-15 01:36:15 fgygi Exp $
#include "CPSampleStepper.h" #include "CPSampleStepper.h"
#include "SlaterDet.h" #include "SlaterDet.h"
...@@ -87,7 +87,7 @@ void CPSampleStepper::step(int niter) ...@@ -87,7 +87,7 @@ void CPSampleStepper::step(int niter)
Wavefunction& wf = s_.wf; Wavefunction& wf = s_.wf;
const double dt = s_.ctrl.dt; const double dt = s_.ctrl.dt;
double ekin_ion=0.0,ekin_e, temp_ion, eta; double ekin_ion=0.0,ekin_e, temp_ion=0.0, eta;
const string wf_dyn = s_.ctrl.wf_dyn; const string wf_dyn = s_.ctrl.wf_dyn;
assert(wf_dyn=="MD"); assert(wf_dyn=="MD");
......
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