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root/group/trunk/OOPSE/libmdtools/SimInfo.cpp
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Comparing trunk/OOPSE/libmdtools/SimInfo.cpp (file contents):
Revision 669 by chuckv, Thu Aug 7 00:47:33 2003 UTC vs.
Revision 674 by mmeineke, Mon Aug 11 18:29:46 2003 UTC

# Line 30 | Line 30 | SimInfo::SimInfo(){
30    n_dipoles = 0;
31    ndf = 0;
32    ndfRaw = 0;
33 +  nZconstraints = 0;
34    the_integrator = NULL;
35    setTemp = 0;
36    thermalTime = 0.0;
# Line 54 | Line 55 | SimInfo::SimInfo(){
55    useGB = 0;
56    useEAM = 0;
57  
58 +  myConfiguration = new SimState();
59 +
60    wrapMeSimInfo( this );
61   }
62  
63 +
64   SimInfo::~SimInfo(){
65  
66 +  delete myConfiguration;
67 +
68    map<string, GenericData*>::iterator i;
69    
70    for(i = properties.begin(); i != properties.end(); i++)
71      delete (*i).second;
72 <
67 <  
72 >    
73   }
74  
75   void SimInfo::setBox(double newBox[3]) {
# Line 358 | Line 363 | int SimInfo::getNDF(){
363    ndf = ndf_local;
364   #endif
365  
366 <  ndf = ndf - 3;
366 >  ndf = ndf - 3 - nZconstraints;
367  
368    return ndf;
369   }

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