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tsoc
openmm
Commits
7714f7ff
Commit
7714f7ff
authored
Nov 07, 2013
by
peastman
Browse files
Fixed compilation errors on gcc
parent
cf80933e
Changes
2
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2 changed files
with
5 additions
and
5 deletions
+5
-5
openmmapi/include/openmm/internal/vectorize.h
openmmapi/include/openmm/internal/vectorize.h
+1
-1
platforms/cpu/src/CpuGBSAOBCForce.cpp
platforms/cpu/src/CpuGBSAOBCForce.cpp
+4
-4
No files found.
openmmapi/include/openmm/internal/vectorize.h
View file @
7714f7ff
...
...
@@ -161,7 +161,7 @@ public:
return
_mm_cmpeq_epi32
(
val
,
other
);
}
ivec4
operator
!=
(
ivec4
other
)
const
{
return
_mm_xor_si128
(
val
==
other
,
_mm_set1_epi32
(
0xFFFFFFFF
));
return
_mm_xor_si128
(
*
this
==
other
,
_mm_set1_epi32
(
0xFFFFFFFF
));
}
ivec4
operator
>
(
ivec4
other
)
const
{
return
_mm_cmpgt_epi32
(
val
,
other
);
...
...
platforms/cpu/src/CpuGBSAOBCForce.cpp
View file @
7714f7ff
...
...
@@ -174,13 +174,13 @@ void CpuGBSAOBCForce::threadComputeForce(ThreadPool& threads, int threadIndex) {
}
for
(
int
i
=
0
;
i
<
numInBlock
;
i
++
)
{
int
atomIndex
=
blockStart
+
i
;
sum
[
i
]
*=
0.5
f
*
offset
Radius
I
[
i
];
sum
[
i
]
*=
0.5
f
*
atom
Radius
[
i
];
float
sum2
=
sum
[
i
]
*
sum
[
i
];
float
sum3
=
sum
[
i
]
*
sum2
;
float
tanhSum
=
tanh
(
alphaObc
*
sum
[
i
]
-
betaObc
*
sum2
+
gammaObc
*
sum3
);
float
radiusI
=
offset
Radius
I
[
i
]
+
dielectricOffset
;
bornRadii
[
atomIndex
]
=
1.0
f
/
(
1.0
f
/
offset
Radius
I
[
i
]
-
tanhSum
/
radiusI
);
obcChain
[
atomIndex
]
=
offset
Radius
I
[
i
]
*
(
alphaObc
-
2.0
f
*
betaObc
*
sum
[
i
]
+
3.0
f
*
gammaObc
*
sum2
);
float
radiusI
=
atom
Radius
[
i
]
+
dielectricOffset
;
bornRadii
[
atomIndex
]
=
1.0
f
/
(
1.0
f
/
atom
Radius
[
i
]
-
tanhSum
/
radiusI
);
obcChain
[
atomIndex
]
=
atom
Radius
[
i
]
*
(
alphaObc
-
2.0
f
*
betaObc
*
sum
[
i
]
+
3.0
f
*
gammaObc
*
sum2
);
obcChain
[
atomIndex
]
=
(
1.0
f
-
tanhSum
*
tanhSum
)
*
obcChain
[
atomIndex
]
/
radiusI
;
}
}
...
...
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