641 |
|
RealType vpair; |
642 |
|
potVec longRangePotential(0.0); |
643 |
|
potVec workPot(0.0); |
644 |
+ |
vector<int>::iterator ia, jb; |
645 |
|
|
646 |
|
int loopStart, loopEnd; |
647 |
|
|
699 |
|
atomListRow = fDecomp_->getAtomsInGroupRow(cg1); |
700 |
|
atomListColumn = fDecomp_->getAtomsInGroupColumn(cg2); |
701 |
|
|
702 |
< |
for (vector<int>::iterator ia = atomListRow.begin(); |
702 |
> |
for (ia = atomListRow.begin(); |
703 |
|
ia != atomListRow.end(); ++ia) { |
704 |
|
atom1 = (*ia); |
705 |
|
|
706 |
< |
for (vector<int>::iterator jb = atomListColumn.begin(); |
706 |
> |
for (jb = atomListColumn.begin(); |
707 |
|
jb != atomListColumn.end(); ++jb) { |
708 |
|
atom2 = (*jb); |
709 |
|
|
755 |
|
tau -= outProduct( *(idat.d), fg); |
756 |
|
} |
757 |
|
|
758 |
< |
for (vector<int>::iterator ia = atomListRow.begin(); |
758 |
> |
for (ia = atomListRow.begin(); |
759 |
|
ia != atomListRow.end(); ++ia) { |
760 |
|
atom1 = (*ia); |
761 |
|
mf = fDecomp_->getMassFactorRow(atom1); |
772 |
|
} |
773 |
|
} |
774 |
|
} |
775 |
< |
for (vector<int>::iterator jb = atomListColumn.begin(); |
775 |
> |
for (jb = atomListColumn.begin(); |
776 |
|
jb != atomListColumn.end(); ++jb) { |
777 |
|
atom2 = (*jb); |
778 |
|
mf = fDecomp_->getMassFactorColumn(atom2); |