106 |
|
Vector3d r3 =sd3->getPos(); |
107 |
|
Vector3d r1 = sd1->getPos(); |
108 |
|
Vector3d v1 = r3 - r1; |
109 |
< |
info_->getSnapshotManager()->getCurrentSnapshot()->wrapVector(v1); |
109 |
> |
if (usePeriodicBoundaryConditions_) |
110 |
> |
info_->getSnapshotManager()->getCurrentSnapshot()->wrapVector(v1); |
111 |
|
Vector3d zaxis = sd1->getElectroFrame().getColumn(2); |
112 |
|
Vector3d xaxis = cross(v1, zaxis); |
113 |
|
Vector3d yaxis = cross(zaxis, xaxis); |
131 |
|
Vector3d pos1 = sd1->getPos(); |
132 |
|
Vector3d pos2 = sd2->getPos(); |
133 |
|
Vector3d r12 = pos2 - pos1; |
134 |
< |
currentSnapshot_->wrapVector(r12); |
134 |
> |
if (usePeriodicBoundaryConditions_) |
135 |
> |
currentSnapshot_->wrapVector(r12); |
136 |
|
|
137 |
|
std::map<int, RotMat3x3d>::iterator i = rotMats_.find(sd1->getGlobalIndex()); |
138 |
|
assert(i != rotMats_.end()); |