--- trunk/OOPSE/libmdtools/SimInfo.hpp 2004/05/01 18:52:38 1144 +++ trunk/OOPSE/libmdtools/SimInfo.hpp 2004/05/11 16:00:22 1154 @@ -157,16 +157,14 @@ class SimInfo{ (public) void scaleBox( double scale ); void setDefaultRcut( double theRcut ); - void setDefaultEcr( double theEcr ); - void setDefaultEcr( double theEcr, double theEst ); + void setDefaultRcut( double theRcut, double theRsw ); void checkCutOffs( void ); double getRcut( void ) { return rCut; } double getRlist( void ) { return rList; } - double getEcr( void ) { return ecr; } - double getEst( void ) { return est; } + double getRsw( void ) { return rSw; } double getMaxCutoff( void ) { return maxCutoff; } - + void setTime( double theTime ) { currentTime = theTime; } void incrTime( double the_dt ) { currentTime += the_dt; } void decrTime( double the_dt ) { currentTime -= the_dt; } @@ -187,11 +185,11 @@ class SimInfo{ (public) SimState* myConfiguration; - int boxIsInit, haveRcut, haveEcr; + int boxIsInit, haveRcut, haveRsw; double rList, rCut; // variables for the neighborlist - double ecr; // the electrostatic cutoff radius - double est; // the electrostatic skin thickness + double rSw; // the switching radius + double maxCutoff; double distXY;