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

Comparing trunk/OOPSE/libmdtools/SimInfo.hpp (file contents):
Revision 836 by mmeineke, Tue Oct 28 22:25:46 2003 UTC vs.
Revision 845 by gezelter, Thu Oct 30 18:59:20 2003 UTC

# 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 +  void checkCutOffs( void );
147  
148    double getRcut( void )  { return rCut; }
149    double getRlist( void ) { return rList; }
# Line 198 | Line 202 | class SimInfo{ (public)
202    void calcHmatInv( void );
203    void calcBoxL();
204    double calcMaxCutOff();
201 –  void checkCutOffs( void );
205  
206 +
207    // private function to initialize the fortran side of the simulation
208    setFortranSim_TD setFsimulation;
209  

Diff Legend

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