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root/group/branches/new-templateless/OOPSE/libmdtools/Integrator.hpp
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Comparing branches/new-templateless/OOPSE/libmdtools/Integrator.hpp (file contents):
Revision 849 by mmeineke, Fri Oct 31 21:06:47 2003 UTC vs.
Revision 850 by mmeineke, Mon Nov 3 22:07:17 2003 UTC

# Line 1 | Line 1
1   #ifndef _INTEGRATOR_H_
2   #define _INTEGRATOR_H_
3  
4 – #include <string>
5 – #include <vector>
4   #include "Atom.hpp"
5   #include "Molecule.hpp"
6   #include "SRI.hpp"
# Line 102 | Line 100 | class NVT : public Integrator { (public)
100    void setTargetTemp(double tt) {targetTemp = tt; have_target_temp = 1;}
101    void setChiTolerance(double tol) {chiTolerance = tol;}
102    virtual double  getConservedQuantity(void);
103 <  virtual string getAdditionalParameters(void);
103 >  virtual char* getAdditionalParameters(void);
104  
105   protected:
106  
# Line 132 | Line 130 | class NVT : public Integrator { (public)
130  
131    double chiTolerance;
132    short int have_chi_tolerance;
133 +
134 +  char addParamBuffer[1000];
135  
136   };
137  
# Line 146 | Line 146 | class NPT : public Integrator{ (public)
146  
147    virtual void integrateStep( int calcPot, int calcStress ){
148      calcStress = 1;
149 <    T::integrateStep( calcPot, calcStress );
149 >    Integrator::integrateStep( calcPot, calcStress );
150    }
151  
152    virtual double getConservedQuantity(void) = 0;
# Line 227 | Line 227 | class NPT : public Integrator{ (public)
227    double etaTolerance;
228    short int have_eta_tolerance;
229  
230 +  char addParamBuffer[1000];
231 +
232   };
233  
234   class NPTi : public NPT{

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