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root/OpenMD/branches/development/src/applications/staticProps/RhoR.cpp
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Comparing branches/development/src/applications/staticProps/RhoR.cpp (file contents):
Revision 1665 by gezelter, Tue Nov 22 20:38:56 2011 UTC vs.
Revision 1764 by gezelter, Tue Jul 3 18:32:27 2012 UTC

# Line 48 | Line 48
48   #include "utils/NumericConstant.hpp"
49   #include "io/DumpReader.hpp"
50   #include "primitives/Molecule.hpp"
51 + #include "brains/Thermo.hpp"
52   #include <math.h>
53  
54   namespace OpenMD {
# Line 73 | Line 74 | namespace OpenMD {
74    
75  
76    void RhoR::process() {
77 <    
78 <
78 <    
77 >  
78 >    Thermo thermo(info_);
79      DumpReader reader(info_, dumpFilename_);    
80      int nFrames = reader.getNFrames();
81      nProcessed_ = nFrames/step_;
# Line 89 | Line 89 | namespace OpenMD {
89        StuntDouble* sd;
90        reader.readFrame(istep);
91        currentSnapshot_ = info_->getSnapshotManager()->getCurrentSnapshot();
92 <      Vector3d CenterOfMass = info_->getCom();      
92 >      Vector3d CenterOfMass = thermo.getCom();      
93        
94 –      
95 –      
96 –      
94        if (evaluator_.isDynamic()) {
95          seleMan_.setSelectionSet(evaluator_.evaluate());
96        }

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