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tsoc
openmm
Commits
d7620eff
Commit
d7620eff
authored
Sep 11, 2014
by
peastman
Browse files
Fixed a compilation error in double precision mode
parent
591556f1
Changes
1
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-3
platforms/opencl/src/kernels/findInteractingBlocks.cl
platforms/opencl/src/kernels/findInteractingBlocks.cl
+3
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platforms/opencl/src/kernels/findInteractingBlocks.cl
View file @
d7620eff
...
...
@@ -138,9 +138,9 @@ __kernel void findBlocksWithInteractions(real4 periodicBoxSize, real4 invPeriodi
#
ifdef
USE_PERIODIC
blockDelta.xyz
-=
floor
(
blockDelta.xyz*invPeriodicBoxSize.xyz+0.5f
)
*periodicBoxSize.xyz
;
#
endif
blockDelta.x
=
max
(
0.0f
,
fabs
(
blockDelta.x
)
-blockSizeX.x-blockSizeY.x
)
;
blockDelta.y
=
max
(
0.0f
,
fabs
(
blockDelta.y
)
-blockSizeX.y-blockSizeY.y
)
;
blockDelta.z
=
max
(
0.0f
,
fabs
(
blockDelta.z
)
-blockSizeX.z-blockSizeY.z
)
;
blockDelta.x
=
max
(
(
real
)
0
,
fabs
(
blockDelta.x
)
-blockSizeX.x-blockSizeY.x
)
;
blockDelta.y
=
max
(
(
real
)
0
,
fabs
(
blockDelta.y
)
-blockSizeX.y-blockSizeY.y
)
;
blockDelta.z
=
max
(
(
real
)
0
,
fabs
(
blockDelta.z
)
-blockSizeX.z-blockSizeY.z
)
;
includeBlock2
&=
(
blockDelta.x*blockDelta.x+blockDelta.y*blockDelta.y+blockDelta.z*blockDelta.z
<
PADDED_CUTOFF_SQUARED
)
;
if
(
includeBlock2
)
{
unsigned
short
y
=
(
unsigned
short
)
sortedBlocks[block2].y
;
...
...
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