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Commit 813f60f3 authored by peastman's avatar peastman Committed by GitHub
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Merge pull request #1715 from peastman/nan 

Fixed bug in building neighbor list
parents a55e1e43 cfa7ab82
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platforms/cuda/src/kernels/findInteractingBlocks.cu
View file @ 813f60f3
......@@ -29,7 +29,7 @@ extern "C" __global__ void findBlockBounds(int numAtoms, real4 periodicBoxSize,
real4 blockSize = 0.5f*(maxPos-minPos);
real4 center = 0.5f*(maxPos+minPos);
center.w = 0;
for (int i = base+1; i < last; i++) {
for (int i = base; i < last; i++) {
pos = posq[i];
real4 delta = posq[i]-center;
#ifdef USE_PERIODIC
......
platforms/opencl/src/kernels/findInteractingBlocks.cl
View file @ 813f60f3
......@@ -29,7 +29,7 @@ __kernel void findBlockBounds(int numAtoms, real4 periodicBoxSize, real4 invPeri
real4 blockSize = 0.5f*(maxPos-minPos);
real4 center = 0.5f*(maxPos+minPos);
center.w = 0;
for (int i = base+1; i < last; i++) {
for (int i = base; i < last; i++) {
pos = posq[i];
real4 delta = posq[i]-center;
#ifdef USE_PERIODIC
......
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