| 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); |