1392 |
|
Vector3d boxY = box.getColumn(1); |
1393 |
|
Vector3d boxZ = box.getColumn(2); |
1394 |
|
|
1395 |
< |
nCells_.x() = (int) ( boxX.length() )/ rList_; |
1396 |
< |
nCells_.y() = (int) ( boxY.length() )/ rList_; |
1397 |
< |
nCells_.z() = (int) ( boxZ.length() )/ rList_; |
1395 |
> |
nCells_.x() = int( boxX.length() / rList_ ); |
1396 |
> |
nCells_.y() = int( boxY.length() / rList_ ); |
1397 |
> |
nCells_.z() = int( boxZ.length() / rList_ ); |
1398 |
|
|
1399 |
|
// handle small boxes where the cell offsets can end up repeating cells |
1400 |
|
|
1490 |
|
} |
1491 |
|
|
1492 |
|
// find xyz-indices of cell that cutoffGroup is in. |
1493 |
< |
whichCell.x() = nCells_.x() * scaled.x(); |
1494 |
< |
whichCell.y() = nCells_.y() * scaled.y(); |
1495 |
< |
whichCell.z() = nCells_.z() * scaled.z(); |
1493 |
> |
whichCell.x() = int(nCells_.x() * scaled.x()); |
1494 |
> |
whichCell.y() = int(nCells_.y() * scaled.y()); |
1495 |
> |
whichCell.z() = int(nCells_.z() * scaled.z()); |
1496 |
|
|
1497 |
|
// find single index of this cell: |
1498 |
|
cellIndex = Vlinear(whichCell, nCells_); |