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root/group/trunk/OOPSE/libmdtools/Integrator.hpp
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Comparing trunk/OOPSE/libmdtools/Integrator.hpp (file contents):
Revision 677 by tim, Mon Aug 11 19:41:36 2003 UTC vs.
Revision 682 by tim, Tue Aug 12 17:51:33 2003 UTC

# Line 332 | Line 332 | template<typename T> class ZConstraint : public T { (p
332    
333    void zeroOutVel();
334    void doZconstraintForce();
335 +  void doHarmonic();
336    bool checkZConsState();
337  
338    bool haveFixedZMols();
# Line 343 | Line 344 | template<typename T> class ZConstraint : public T { (p
344  
345  
346    double zconsTime;
347 <  double ztol;
347 >  double zconsTol;
348 >  double zForceConst;
349    
350    vector<Molecule*> zconsMols;
351    vector<double> massOfZConsMols;
350 –  vector<double> zconsPos;
352    vector<double> kz;
353    vector<ZConsState> states;
354 <  vector<double> ZPos;
354 >  vector<double> zPos;
355    
356    
357    vector<Molecule*> unconsMols;
358    vector<double> massOfUnconsMols;
359    double totalMassOfUncons;
360 +
361 +  vector<ZConsParaItem>* parameters;
362    
363    vector<int> indexOfAllZConsMols;     //index of All Z-Constraint Molecuels
364  

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