--- trunk/mdtools/md_code/SimInfo.cpp 2003/01/24 21:25:08 245 +++ trunk/mdtools/md_code/SimInfo.cpp 2003/02/24 21:25:15 281 @@ -1,13 +1,14 @@ #include #include "SimInfo.hpp" - +#define __C +#include "fsimulation.h" extern "C"{ void wrapsimmod_( void (*wrapFunction)(void (*fSub)( int*, double*, double*, double*))); } -void wrapSimInfo((void (*fSub)( int*, double*, double*, double*))); +void wrapSimInfo(void (*fSub)( int*, double*, double*, double*)); SimInfo* currentInfo; @@ -40,11 +41,14 @@ void SimInfo::refreshSim(){ box[1] = box_y; box[2] = box_z; - setFsimulation( &n_atoms, box, &rList, &rCut ); + + + setFsimulation( &n_atoms, box, &rList, &rCut,&ensemble, + &mixingRule,&usePBC); } -void wrapSimInfo((void (*fSub)( int*, double*, double*, double*))){ +void wrapSimInfo(void (*fSub)( int*, double*, double*, double*)){ currentInfo->setInternal(fSub); }