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root/group/trunk/OOPSE/libmdtools/SimSetup.cpp
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Comparing trunk/OOPSE/libmdtools/SimSetup.cpp (file contents):
Revision 427 by mmeineke, Thu Mar 27 20:48:37 2003 UTC vs.
Revision 431 by mmeineke, Thu Mar 27 22:16:27 2003 UTC

# Line 335 | Line 335 | void SimSetup::createSim( void ){
335  
336  
337    if( simnfo->n_SRI ){
338 +    
339 +    std::cerr << "n_SRI = " << simnfo->n_SRI << "\n";
340 +    
341      Exclude::createArray(simnfo->n_SRI);
342      the_excludes = new Exclude*[simnfo->n_SRI];
343 +    for( int ex=0; ex<simnfo->n_SRI; ex++) the_excludes[ex] = new Exclude(ex);
344      simnfo->globalExcludes = new int;
345      simnfo->n_exclude = tot_SRI;
346    }
# Line 354 | Line 358 | void SimSetup::createSim( void ){
358    // set the arrays into the SimInfo object
359  
360    simnfo->atoms = the_atoms;
361 +  simnfo->molecules = the_molecules;
362    simnfo->nGlobalExcludes = 0;
363    simnfo->excludes = the_excludes;
364  

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