| 790 | 
  | 
    set<AtomType*>::iterator i; | 
| 791 | 
  | 
    set<AtomType*> atomTypes; | 
| 792 | 
  | 
    atomTypes = getSimulatedAtomTypes();     | 
| 793 | 
< | 
    int usesElectrostatic = 0; | 
| 794 | 
< | 
    int usesMetallic = 0; | 
| 795 | 
< | 
    int usesDirectional = 0; | 
| 796 | 
< | 
    int usesFluctuatingCharges =  0; | 
| 793 | 
> | 
    bool usesElectrostatic = false; | 
| 794 | 
> | 
    bool usesMetallic = false; | 
| 795 | 
> | 
    bool usesDirectional = false; | 
| 796 | 
> | 
    bool usesFluctuatingCharges =  false; | 
| 797 | 
  | 
    //loop over all of the atom types | 
| 798 | 
  | 
    for (i = atomTypes.begin(); i != atomTypes.end(); ++i) { | 
| 799 | 
  | 
      usesElectrostatic |= (*i)->isElectrostatic(); | 
| 802 | 
  | 
      usesFluctuatingCharges |= (*i)->isFluctuatingCharge(); | 
| 803 | 
  | 
    } | 
| 804 | 
  | 
 | 
| 805 | 
< | 
#ifdef IS_MPI     | 
| 806 | 
< | 
    int temp; | 
| 807 | 
< | 
    temp = usesDirectional; | 
| 808 | 
< | 
    MPI_Allreduce(&temp, &usesDirectionalAtoms_, 1, MPI_INT, MPI_LOR, MPI_COMM_WORLD);     | 
| 809 | 
< | 
     | 
| 805 | 
> | 
#ifdef IS_MPI | 
| 806 | 
> | 
    bool temp; | 
| 807 | 
> | 
    temp = usesDirectional; | 
| 808 | 
> | 
    MPI::COMM_WORLD.Allreduce(&temp, &usesDirectionalAtoms_, 1, MPI::BOOL,  | 
| 809 | 
> | 
                              MPI::LOR); | 
| 810 | 
> | 
         | 
| 811 | 
  | 
    temp = usesMetallic; | 
| 812 | 
< | 
    MPI_Allreduce(&temp, &usesMetallicAtoms_, 1, MPI_INT, MPI_LOR, MPI_COMM_WORLD);     | 
| 812 | 
> | 
    MPI::COMM_WORLD.Allreduce(&temp, &usesMetallicAtoms_, 1, MPI::BOOL,  | 
| 813 | 
> | 
                              MPI::LOR); | 
| 814 | 
  | 
     | 
| 815 | 
  | 
    temp = usesElectrostatic; | 
| 816 | 
< | 
    MPI_Allreduce(&temp, &usesElectrostaticAtoms_, 1, MPI_INT, MPI_LOR, MPI_COMM_WORLD);  | 
| 816 | 
> | 
    MPI::COMM_WORLD.Allreduce(&temp, &usesElectrostaticAtoms_, 1, MPI::BOOL,  | 
| 817 | 
> | 
                              MPI::LOR); | 
| 818 | 
  | 
 | 
| 819 | 
  | 
    temp = usesFluctuatingCharges; | 
| 820 | 
< | 
    MPI_Allreduce(&temp, &usesFluctuatingCharges_, 1, MPI_INT, MPI_LOR, MPI_COMM_WORLD);  | 
| 820 | 
> | 
    MPI::COMM_WORLD.Allreduce(&temp, &usesFluctuatingCharges_, 1, MPI::BOOL,  | 
| 821 | 
> | 
                              MPI::LOR); | 
| 822 | 
  | 
#else | 
| 823 | 
  | 
 | 
| 824 | 
  | 
    usesDirectionalAtoms_ = usesDirectional; |