--- trunk/OOPSE/libmdtools/mpiSimulation.hpp 2003/03/21 17:42:12 378 +++ trunk/OOPSE/libmdtools/mpiSimulation.hpp 2003/03/26 18:02:18 405 @@ -18,11 +18,7 @@ class mpiSimulation{ (public) int getMyNode(void) { return mpiPlug->myNode; } int getNumberProcessors(void) { return mpiPlug->numberProcessors; } - int getMyMolStart( void ) { return mpiPlug->myMolStart; } - int getMyMolEnd( void ) { return mpiPlug->myMolEnd; } - int getMyMol( void ) { return mpiPlug->myMol; } - int getMyAtomStart( void ) { return mpiPlug->myAtomStart; } - int getMyAtomEnd( void ) { return mpiPlug->myAtomEnd; } + int getMyNMol( void ) { return mpiPlug->myNMol; } int getMyNlocal( void ) { return mpiPlug->myNlocal; } int getTotAtoms( void ) { return mpiPlug->nAtomsGlobal; } @@ -41,7 +37,11 @@ class mpiSimulation{ (public) protected: SimInfo* entryPlug; mpiSimData* mpiPlug; - + int *MolToProcMap; + int *MolComponentType; + int *AtomToProcMap; + int *AtomType; + // private function to initialize the fortran side of the simulation void (*setFsimParallel) setFortranMPIlist;