rel1_11_1

git-svn-id: http://qboxcode.org/svn/qb/trunk@151 cba15fb0-1239-40c8-b417-11db7ca47a34

src/SampleReader.C

@@ -3,7 +3,7 @@
 // SampleReader.C:
 //
 ////////////////////////////////////////////////////////////////////////////////
-// $Id: SampleReader.C,v 1.11 2003-12-02 20:26:05 fgygi Exp $
+// $Id: SampleReader.C,v 1.12 2003-12-02 22:39:05 fgygi Exp $
 
 
 #include "Sample.h"
@@ -372,7 +372,6 @@ void SampleReader::readSample (Sample& s, const string uri, bool serial)
             {
               // receive density_matrix
               vector<double> dmat_tmp(sd->nst());
-	      cout << " SampleReader: dmat.size()=" << dmat_tmp.size() << endl;
               sd->context().dbcast_recv(sd->nst(),1,&dmat_tmp[0],1,0,0);
               sd->set_occ(dmat_tmp);
                 

src/WavefunctionHandler.C

@@ -3,7 +3,7 @@
 // WavefunctionHandler.C
 //
 ////////////////////////////////////////////////////////////////////////////////
-// $Id: WavefunctionHandler.C,v 1.7 2003-10-02 17:35:51 fgygi Exp $
+// $Id: WavefunctionHandler.C,v 1.8 2003-12-02 22:39:05 fgygi Exp $
 
 #include "WavefunctionHandler.h"
 #include "Wavefunction.h"
@@ -284,9 +284,6 @@ void WavefunctionHandler::endElement(const XMLCh* const uri,
     assert(sd != 0);
     sd->context().dbcast_send(dmat.size(),1,&dmat[0],1);
     sd->set_occ(dmat);
-    
-    //for ( int i = 0; i < dmat.size(); i++ )
-    //  cout << "WavefunctionHandler: dmat: " << i << " " << dmat[i] << endl;
   }
   else if ( locname == "grid_function")
   {

src/notes

@@ -43,6 +43,11 @@ determine library search path, even if makefile specifies another path.
 Created a libxerces-c.a using objects in $XERCESCDIR/lib and linked statically.
 This will avoid the problem of needing libxerces-c.so when using qbox.
 --------------------------------------------------------------------------------
+rel1_11_1
+Fixed uninitialized var eta_ in MDIonicStepper that caused errors on AIX.
+Known problem: elan allocation failure on mcr when writing h2o64 sample
+using 140 tasks on 70 nodes.
+--------------------------------------------------------------------------------
 rel1_11_0
 BOSampleStepper: changed to do extrapolation and ionic move before 
 smoothing the wf. Uses wf velocity if available. Creates it if not