Fixed bug computing neighbor list

556dddb6 · Peter Eastman · 5ea8680f · 556dddb6
Commit 556dddb6 authored Oct 18, 2016 by Peter Eastman
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platforms/cuda/src/kernels/findInteractingBlocks.cu platforms/cuda/src/kernels/findInteractingBlocks.cu +1 -0

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--- a/platforms/cuda/src/kernels/findInteractingBlocks.cu
+++ b/platforms/cuda/src/kernels/findInteractingBlocks.cu
@@ -37,6 +37,7 @@ extern "C" __global__ void findBlockBounds(int numAtoms, real4 periodicBoxSize,
 #endif
            center.w = max(center.w, delta.x*delta.x+delta.y*delta.y+delta.z*delta.z);
        }
+        center.w = sqrt(center.w);
        blockBoundingBox[index] = blockSize;
        blockCenter[index] = center;
        sortedBlocks[index] = make_real2(blockSize.x+blockSize.y+blockSize.z, index);