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root/group/trunk/OOPSE/libmdtools/SimInfo.hpp
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Comparing trunk/OOPSE/libmdtools/SimInfo.hpp (file contents):
Revision 841 by mmeineke, Wed Oct 29 17:55:28 2003 UTC vs.
Revision 845 by gezelter, Thu Oct 30 18:59:20 2003 UTC

# Line 143 | Line 143 | class SimInfo{ (public)
143    void setDefaultEcr( double theEcr );
144    void setEcr( double theEcr, double theEst );
145    void setDefaultEcr( double theEcr, double theEst );
146 +  void checkCutOffs( void );
147  
148    double getRcut( void )  { return rCut; }
149    double getRlist( void ) { return rList; }
# Line 201 | Line 202 | class SimInfo{ (public)
202    void calcHmatInv( void );
203    void calcBoxL();
204    double calcMaxCutOff();
204 –  void checkCutOffs( void );
205  
206 +
207    // private function to initialize the fortran side of the simulation
208    setFortranSim_TD setFsimulation;
209  

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