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root/group/trunk/OOPSE/libmdtools/OOPSEMinimizer.hpp
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Comparing trunk/OOPSE/libmdtools/OOPSEMinimizer.hpp (file contents):
Revision 1233 by tim, Tue Feb 24 15:44:45 2004 UTC vs.
Revision 1234 by tim, Fri Jun 4 03:15:31 2004 UTC

# Line 6 | Line 6
6   #include "Integrator.hpp"
7   #include "MinimizerParameterSet.hpp"
8  
9 +
10   using namespace std;
11  
12   const int MIN_LSERROR = -1;
# Line 22 | Line 23 | const int LS_ERROR  = -1;
23   const int LS_ERROR  = -1;
24  
25   // base class of minimizer
26 + class ShakeMinFramework;
27   class OOPSEMinimizer : public RealIntegrator{
28    public:
29  
# Line 115 | Line 117 | class OOPSEMinimizer : public RealIntegrator{
117      bool bShake;
118  
119      //constraint the bonds;
120 <    int shakeR();
120 >    //int shakeR();
121      
122      //remove the force component along the bond direction
123 <    int shakeF();
123 >    //int shakeF();
124    
125      // dimension of the model
126      int ndim;
# Line 158 | Line 160 | class OOPSEMinimizer : public RealIntegrator{
160  
161      //calculate the dimension od the model for minimization
162      void calcDim();
163 +
164 +    ShakeMinFramework* shakeAlgo;
165      
166   };
167  

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