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tsoc
openmm
Commits
2c47f7b2
"platforms/cuda/vscode:/vscode.git/clone" did not exist on "cecc774ae43f64fb6a2fd936a76eb3351d3864c1"
Commit
2c47f7b2
authored
Oct 18, 2016
by
Peter Eastman
Browse files
Fixed bug in OpenCL as well
parent
556dddb6
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platforms/opencl/src/kernels/findInteractingBlocks.cl
platforms/opencl/src/kernels/findInteractingBlocks.cl
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platforms/opencl/src/kernels/findInteractingBlocks.cl
View file @
2c47f7b2
...
...
@@ -37,6 +37,7 @@ __kernel void findBlockBounds(int numAtoms, real4 periodicBoxSize, real4 invPeri
#
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]
=
(
real2
)
(
blockSize.x+blockSize.y+blockSize.z,
index
)
;
...
...
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