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tsoc
openmm
Commits
f1171d6c
Commit
f1171d6c
authored
Nov 26, 2012
by
Lee-Ping Wang
Browse files
Cleanup ; removed if statements, spaces instead of tabs.
parent
070354db
Changes
1
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1 changed file
with
3 additions
and
12 deletions
+3
-12
plugins/amoeba/platforms/cuda/src/kernels/amoebaVdwForce2.cu
plugins/amoeba/platforms/cuda/src/kernels/amoebaVdwForce2.cu
+3
-12
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plugins/amoeba/platforms/cuda/src/kernels/amoebaVdwForce2.cu
View file @
f1171d6c
...
@@ -13,10 +13,7 @@
...
@@ -13,10 +13,7 @@
real
sigma1_2
=
sigmaEpsilon1
.
x
*
sigmaEpsilon1
.
x
;
real
sigma1_2
=
sigmaEpsilon1
.
x
*
sigmaEpsilon1
.
x
;
real
sigma2_2
=
sigmaEpsilon2
.
x
*
sigmaEpsilon2
.
x
;
real
sigma2_2
=
sigmaEpsilon2
.
x
*
sigmaEpsilon2
.
x
;
real
sigmasum
=
sigma1_2
+
sigma2_2
;
real
sigmasum
=
sigma1_2
+
sigma2_2
;
real
sigma
=
0.0
f
;
real
sigma
=
(
sigmasum
==
0.0
f
?
(
real
)
0
:
2
*
(
sigmaEpsilon1
.
x
*
sigma1_2
+
sigmaEpsilon2
.
x
*
sigma2_2
)
/
(
sigma1_2
+
sigma2_2
));
if
(
sigmasum
!=
0.0
f
)
{
sigma
=
2
*
(
sigmaEpsilon1
.
x
*
sigma1_2
+
sigmaEpsilon2
.
x
*
sigma2_2
)
/
(
sigma1_2
+
sigma2_2
);
}
#endif
#endif
#if EPSILON_COMBINING_RULE == 1
#if EPSILON_COMBINING_RULE == 1
real
epsilon
=
0.5
f
*
(
sigmaEpsilon1
.
y
+
sigmaEpsilon2
.
y
);
real
epsilon
=
0.5
f
*
(
sigmaEpsilon1
.
y
+
sigmaEpsilon2
.
y
);
...
@@ -24,16 +21,10 @@
...
@@ -24,16 +21,10 @@
real
epsilon
=
SQRT
(
sigmaEpsilon1
.
y
*
sigmaEpsilon2
.
y
);
real
epsilon
=
SQRT
(
sigmaEpsilon1
.
y
*
sigmaEpsilon2
.
y
);
#elif EPSILON_COMBINING_RULE == 3
#elif EPSILON_COMBINING_RULE == 3
real
epssum
=
sigmaEpsilon1
.
y
+
sigmaEpsilon2
.
y
;
real
epssum
=
sigmaEpsilon1
.
y
+
sigmaEpsilon2
.
y
;
real
epsilon
=
0.0
f
;
real
epsilon
=
(
epssum
==
0.0
f
?
(
real
)
0
:
2
*
(
sigmaEpsilon1
.
y
*
sigmaEpsilon2
.
y
)
/
(
sigmaEpsilon1
.
y
+
sigmaEpsilon2
.
y
));
if
(
epssum
!=
0.0
f
)
{
epsilon
=
2
*
(
sigmaEpsilon1
.
y
*
sigmaEpsilon2
.
y
)
/
(
sigmaEpsilon1
.
y
+
sigmaEpsilon2
.
y
);
}
#else
#else
real
epsilon_s
=
SQRT
(
sigmaEpsilon1
.
y
)
+
SQRT
(
sigmaEpsilon2
.
y
);
real
epsilon_s
=
SQRT
(
sigmaEpsilon1
.
y
)
+
SQRT
(
sigmaEpsilon2
.
y
);
real
epsilon
=
0.0
f
;
real
epsilon
=
(
epsilon_s
==
0.0
f
?
(
real
)
0
:
4
*
sigmaEpsilon1
.
y
*
sigmaEpsilon2
.
y
/
(
epsilon_s
*
epsilon_s
));
if
(
epsilon_s
!=
0.0
f
)
{
epsilon
=
4
*
sigmaEpsilon1
.
y
*
sigmaEpsilon2
.
y
/
(
epsilon_s
*
epsilon_s
);
}
#endif
#endif
real
r6
=
r2
*
r2
*
r2
;
real
r6
=
r2
*
r2
*
r2
;
real
r7
=
r6
*
r
;
real
r7
=
r6
*
r
;
...
...
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