void Reset( reax_system *system, control_params *control, simulation_data *data,
storage *workspace, reax_list **lists, MPI_Comm comm )
{
Reset_Atoms( system, control );
Reset_Simulation_Data( data, control->virial );
Reset_Workspace( system, workspace );
Reset_Neighbor_Lists( system, control, workspace, lists, comm );
}
int Init_Workspace( reax_system *system, control_params *control,
storage *workspace, MPI_Comm comm, char *msg )
{
int ret;
ret = Allocate_Workspace( system, control, workspace,
system->local_cap, system->total_cap, comm, msg );
if( ret != SUCCESS )
return ret;
memset( &(workspace->realloc), 0, sizeof(reallocate_data) );
Reset_Workspace( system, workspace );
/* Initialize the Taper function */
Init_Taper( control, workspace, comm );
return SUCCESS;
}
