106 |
|
Vector3d pos1 = sd1->getPos(); |
107 |
|
Vector3d pos2 = sd2->getPos(); |
108 |
|
Vector3d r12 = pos2 - pos1; |
109 |
< |
currentSnapshot_->wrapVector(r12); |
109 |
> |
if (usePeriodicBoundaryConditions_) |
110 |
> |
currentSnapshot_->wrapVector(r12); |
111 |
|
|
112 |
|
RealType distance = r12.length(); |
113 |
|
int whichRBin = distance / deltaR_; |
154 |
|
Vector3d pos1 = sd1->getPos(); |
155 |
|
Vector3d pos2 = sd2->getPos(); |
156 |
|
Vector3d r12 = pos2 - pos1; |
157 |
< |
currentSnapshot_->wrapVector(r12); |
157 |
> |
|
158 |
> |
if (usePeriodicBoundaryConditions_) |
159 |
> |
currentSnapshot_->wrapVector(r12); |
160 |
> |
|
161 |
|
r12.normalize(); |
162 |
|
Vector3d dipole = sd1->getElectroFrame().getColumn(2); |
163 |
|
dipole.normalize(); |