93 |
|
Vector3d pos1 = sd1->getPos(); |
94 |
|
Vector3d pos2 = sd2->getPos(); |
95 |
|
Vector3d r12 = pos1 - pos2; |
96 |
< |
currentSnapshot_->wrapVector(r12); |
96 |
> |
if (usePeriodicBoundaryConditions_) |
97 |
> |
currentSnapshot_->wrapVector(r12); |
98 |
|
Vector3d dipole1 = sd1->getElectroFrame().getColumn(2); |
99 |
|
Vector3d dipole2 = sd2->getElectroFrame().getColumn(2); |
100 |
|
|
108 |
|
|
109 |
|
RealType halfBin = (nAngleBins_ - 1) * 0.5; |
110 |
|
int angleBin1 = halfBin * (cosAngle1 + 1.0); |
111 |
< |
int angleBin2 = halfBin * (cosAngle1 + 1.0); |
111 |
> |
int angleBin2 = halfBin * (cosAngle2 + 1.0); |
112 |
|
|
113 |
< |
++histogram_[angleBin1][angleBin1]; |
113 |
> |
++histogram_[angleBin1][angleBin2]; |
114 |
|
++npairs_; |
115 |
|
} |
116 |
|
|