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root/group/trunk/OOPSE/libmdtools/SimInfo.hpp
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Comparing trunk/OOPSE/libmdtools/SimInfo.hpp (file contents):
Revision 823 by mmeineke, Mon Oct 27 22:07:48 2003 UTC vs.
Revision 841 by mmeineke, Wed Oct 29 17:55:28 2003 UTC

# Line 120 | Line 120 | class SimInfo{ (public)
120  
121    // sets the internal function pointer to fortran.
122  
123 <  void setInternal( void (*fSetup) setFortranSimList,
124 <                    void (*fBox) setFortranBoxList,
125 <                    void (*fCut) notifyFortranCutOffList ){
123 >  void setInternal( setFortranSim_TD fSetup,
124 >                    setFortranBox_TD fBox,
125 >                    notifyFortranCutOff_TD fCut){
126      setFsimulation = fSetup;
127      setFortranBoxSize = fBox;
128      notifyFortranCutOffs = fCut;
# Line 138 | Line 138 | class SimInfo{ (public)
138    void scaleBox( double scale );
139    
140    void setRcut( double theRcut );
141 +  void setDefaultRcut( double theRcut );
142    void setEcr( double theEcr );
143 +  void setDefaultEcr( double theEcr );
144    void setEcr( double theEcr, double theEst );
145 +  void setDefaultEcr( double theEcr, double theEst );
146  
147    double getRcut( void )  { return rCut; }
148    double getRlist( void ) { return rList; }
# Line 201 | Line 204 | class SimInfo{ (public)
204    void checkCutOffs( void );
205  
206    // private function to initialize the fortran side of the simulation
207 <  void (*setFsimulation) setFortranSimList;
207 >  setFortranSim_TD setFsimulation;
208  
209 <  void (*setFortranBoxSize) setFortranBoxList;
209 >  setFortranBox_TD setFortranBoxSize;
210    
211 <  void (*notifyFortranCutOffs) notifyFortranCutOffList;
211 >  notifyFortranCutOff_TD notifyFortranCutOffs;
212    
213    //Addtional Properties of SimInfo
214    map<string, GenericData*> properties;

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