ViewVC Help
View File | Revision Log | Show Annotations | View Changeset | Root Listing
root/group/trunk/OOPSE/libmdtools/Integrator.hpp
(Generate patch)

Comparing trunk/OOPSE/libmdtools/Integrator.hpp (file contents):
Revision 677 by tim, Mon Aug 11 19:41:36 2003 UTC vs.
Revision 696 by tim, Thu Aug 14 16:16:39 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  
# Line 371 | Line 374 | template<typename T> class ZConstraint : public T { (p
374    string zconsOutput;
375    ZConsWriter* fzOut;
376  
377 +  double calcMovingMolsCOMVel();
378 +  double calcSysCOMVel();
379 +  double calcTotalForce();
380  
381   };
382  

Diff Legend

– Removed lines
+ Added lines
< Changed lines
> Changed lines