| 686 |
|
AtomPlanPotRow->scatter(pot_row, pot_temp); |
| 687 |
|
AtomPlanPotRow->scatter(expot_row, expot_temp); |
| 688 |
|
|
| 689 |
< |
for (int ii = 0; ii < pot_temp.size(); ii++ ) |
| 689 |
> |
for (std::size_t ii = 0; ii < pot_temp.size(); ii++ ) |
| 690 |
|
pairwisePot += pot_temp[ii]; |
| 691 |
|
|
| 692 |
< |
for (int ii = 0; ii < expot_temp.size(); ii++ ) |
| 692 |
> |
for (std::size_t ii = 0; ii < expot_temp.size(); ii++ ) |
| 693 |
|
excludedPot += expot_temp[ii]; |
| 694 |
< |
|
| 694 |
> |
|
| 695 |
|
if (storageLayout_ & DataStorage::dslParticlePot) { |
| 696 |
|
// This is the pairwise contribution to the particle pot. The |
| 697 |
|
// embedding contribution is added in each of the low level |
| 714 |
|
AtomPlanPotColumn->scatter(pot_col, pot_temp); |
| 715 |
|
AtomPlanPotColumn->scatter(expot_col, expot_temp); |
| 716 |
|
|
| 717 |
< |
for (int ii = 0; ii < pot_temp.size(); ii++ ) |
| 717 |
> |
for (std::size_t ii = 0; ii < pot_temp.size(); ii++ ) |
| 718 |
|
pairwisePot += pot_temp[ii]; |
| 719 |
|
|
| 720 |
< |
for (int ii = 0; ii < expot_temp.size(); ii++ ) |
| 720 |
> |
for (std::size_t ii = 0; ii < expot_temp.size(); ii++ ) |
| 721 |
|
excludedPot += expot_temp[ii]; |
| 722 |
< |
|
| 722 |
> |
|
| 723 |
|
if (storageLayout_ & DataStorage::dslParticlePot) { |
| 724 |
|
// This is the pairwise contribution to the particle pot. The |
| 725 |
|
// embedding contribution is added in each of the low level |
