--- trunk/mdtools/mpi_implementation/mpiSimulation.cpp 2002/09/30 19:36:20 122 +++ trunk/mdtools/mpi_implementation/mpiSimulation.cpp 2002/10/09 22:56:09 132 @@ -1,4 +1,4 @@ -#include +#include #include mpiSimulation::mpiSimulation() @@ -12,14 +12,4 @@ mpiSimulation::mpiInitSimulation(SimInfo* entry_plug) MPI::Get_processor_name(processorName,&processorNameLen); } -mpiSimulation::mpiInitSimulation(SimInfo* entry_plug) -{ - // need to get nmol here...... - - - - myMolStart = nint(float(node)/numberProcessors*entry_plug->n_mol); - myMolEnd = nint(float(node + 1)/numberProcessors*entry_plug->n_mol;); - nMolLocal = myMolEnd - myMolStart + 1 -}