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root/group/trunk/OOPSE/libmdtools/SimInfo.hpp
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Comparing trunk/OOPSE/libmdtools/SimInfo.hpp (file contents):
Revision 1212 by chrisfen, Tue Jun 1 17:15:43 2004 UTC vs.
Revision 1234 by tim, Fri Jun 4 03:15:31 2004 UTC

# Line 19 | Line 19
19   #include "fSimulation.h"
20   #include "fortranWrapDefines.hpp"
21   #include "GenericData.hpp"
22 +
23 +
24   //#include "Minimizer.hpp"
25   //#include "OOPSEMinimizer.hpp"
26  
27  
28   double roundMe( double x );
29   class OOPSEMinimizer;
30 + class ConstraintManager;
31   class SimInfo{
32  
33   public:
# Line 138 | Line 141 | class SimInfo{ (public)
141    int i;                 // just an int
142  
143    vector<double> mfact;
144 +  vector<int> FglobalGroupMembership;
145    int ngroup;
146 <  vector<int> groupList;
147 <  vector<int> groupStart;
146 >  int* globalGroupMembership;
147 >
148 >  ConstraintManager* consMan; //constraint manager  holding the constraint pairs
149    
150    // refreshes the sim if things get changed (load balanceing, volume
151    // adjustment, etc.)
# Line 220 | Line 225 | class SimInfo{ (public)
225    
226    //Addtional Properties of SimInfo
227    map<string, GenericData*> properties;
228 +  void getFortranGroupArrays(SimInfo* info,
229 +                             vector<int>& FglobalGroupMembership,
230 +                             vector<double>& mfact);
231  
232 +
233   };
234  
226 void getFortranGroupArray(SimInfo* info, vector<double>& mfact, int& ngroup,
227                                                          vector<int>& groupList, vector<int>& groupStart);
235  
236   #endif

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