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tsoc
openmm
Commits
b00edc8e
Commit
b00edc8e
authored
Oct 19, 2015
by
Robert T. McGibbon
Browse files
Update based on code review
parent
fd792ec1
Changes
3
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Showing
3 changed files
with
14 additions
and
14 deletions
+14
-14
platforms/cuda/src/CudaExpressionUtilities.cpp
platforms/cuda/src/CudaExpressionUtilities.cpp
+6
-6
platforms/opencl/src/OpenCLExpressionUtilities.cpp
platforms/opencl/src/OpenCLExpressionUtilities.cpp
+6
-6
tests/TestCustomExternalForce.h
tests/TestCustomExternalForce.h
+2
-2
No files found.
platforms/cuda/src/CudaExpressionUtilities.cpp
View file @
b00edc8e
...
@@ -124,17 +124,17 @@ void CudaExpressionUtilities::processExpression(stringstream& out, const Express
...
@@ -124,17 +124,17 @@ void CudaExpressionUtilities::processExpression(stringstream& out, const Express
if
(
argIndex
==
-
1
)
if
(
argIndex
==
-
1
)
out
<<
nodeNames
[
j
]
<<
" = RECIP(periodicDistance_rinv);
\n
"
;
out
<<
nodeNames
[
j
]
<<
" = RECIP(periodicDistance_rinv);
\n
"
;
else
if
(
argIndex
==
0
)
else
if
(
argIndex
==
0
)
out
<<
nodeNames
[
j
]
<<
" = periodicDistance_delta.x*periodicDistance_rinv
*(periodicDistance_r2>
0);
\n
"
;
out
<<
nodeNames
[
j
]
<<
" =
(periodicDistance_r2 > 0 ?
periodicDistance_delta.x*periodicDistance_rinv
:
0);
\n
"
;
else
if
(
argIndex
==
1
)
else
if
(
argIndex
==
1
)
out
<<
nodeNames
[
j
]
<<
" = periodicDistance_delta.y*periodicDistance_rinv
*(periodicDistance_r2>
0);
\n
"
;
out
<<
nodeNames
[
j
]
<<
" =
(periodicDistance_r2 > 0 ?
periodicDistance_delta.y*periodicDistance_rinv
:
0);
\n
"
;
else
if
(
argIndex
==
2
)
else
if
(
argIndex
==
2
)
out
<<
nodeNames
[
j
]
<<
" = periodicDistance_delta.z*periodicDistance_rinv
*(periodicDistance_r2>
0);
\n
"
;
out
<<
nodeNames
[
j
]
<<
" =
(periodicDistance_r2 > 0 ?
periodicDistance_delta.z*periodicDistance_rinv
:
0);
\n
"
;
else
if
(
argIndex
==
3
)
else
if
(
argIndex
==
3
)
out
<<
nodeNames
[
j
]
<<
" = -periodicDistance_delta.x*periodicDistance_rinv
*(periodicDistance_r2>
0);
\n
"
;
out
<<
nodeNames
[
j
]
<<
" =
(periodicDistance_r2 > 0 ?
-periodicDistance_delta.x*periodicDistance_rinv
:
0);
\n
"
;
else
if
(
argIndex
==
4
)
else
if
(
argIndex
==
4
)
out
<<
nodeNames
[
j
]
<<
" = -periodicDistance_delta.y*periodicDistance_rinv
*(periodicDistance_r2>
0);
\n
"
;
out
<<
nodeNames
[
j
]
<<
" =
(periodicDistance_r2 > 0 ?
-periodicDistance_delta.y*periodicDistance_rinv
:
0);
\n
"
;
else
if
(
argIndex
==
5
)
else
if
(
argIndex
==
5
)
out
<<
nodeNames
[
j
]
<<
" = -periodicDistance_delta.z*periodicDistance_rinv
*(periodicDistance_r2>
0);
\n
"
;
out
<<
nodeNames
[
j
]
<<
" =
(periodicDistance_r2 > 0 ?
-periodicDistance_delta.z*periodicDistance_rinv
:
0);
\n
"
;
}
}
}
}
else
{
else
{
...
...
platforms/opencl/src/OpenCLExpressionUtilities.cpp
View file @
b00edc8e
...
@@ -124,17 +124,17 @@ void OpenCLExpressionUtilities::processExpression(stringstream& out, const Expre
...
@@ -124,17 +124,17 @@ void OpenCLExpressionUtilities::processExpression(stringstream& out, const Expre
if
(
argIndex
==
-
1
)
if
(
argIndex
==
-
1
)
out
<<
nodeNames
[
j
]
<<
" = RECIP(periodicDistance_rinv);
\n
"
;
out
<<
nodeNames
[
j
]
<<
" = RECIP(periodicDistance_rinv);
\n
"
;
else
if
(
argIndex
==
0
)
else
if
(
argIndex
==
0
)
out
<<
nodeNames
[
j
]
<<
" = periodicDistance_delta.x*periodicDistance_rinv
*(periodicDistance_r2>
0);
\n
"
;
out
<<
nodeNames
[
j
]
<<
" =
(periodicDistance_r2 > 0 ?
periodicDistance_delta.x*periodicDistance_rinv
:
0);
\n
"
;
else
if
(
argIndex
==
1
)
else
if
(
argIndex
==
1
)
out
<<
nodeNames
[
j
]
<<
" = periodicDistance_delta.y*periodicDistance_rinv
*(periodicDistance_r2>
0);
\n
"
;
out
<<
nodeNames
[
j
]
<<
" =
(periodicDistance_r2 > 0 ?
periodicDistance_delta.y*periodicDistance_rinv
:
0);
\n
"
;
else
if
(
argIndex
==
2
)
else
if
(
argIndex
==
2
)
out
<<
nodeNames
[
j
]
<<
" = periodicDistance_delta.z*periodicDistance_rinv
*(periodicDistance_r2>
0);
\n
"
;
out
<<
nodeNames
[
j
]
<<
" =
(periodicDistance_r2 > 0 ?
periodicDistance_delta.z*periodicDistance_rinv
:
0);
\n
"
;
else
if
(
argIndex
==
3
)
else
if
(
argIndex
==
3
)
out
<<
nodeNames
[
j
]
<<
" = -periodicDistance_delta.x*periodicDistance_rinv
*(periodicDistance_r2>
0);
\n
"
;
out
<<
nodeNames
[
j
]
<<
" =
(periodicDistance_r2 > 0 ?
-periodicDistance_delta.x*periodicDistance_rinv
:
0);
\n
"
;
else
if
(
argIndex
==
4
)
else
if
(
argIndex
==
4
)
out
<<
nodeNames
[
j
]
<<
" = -periodicDistance_delta.y*periodicDistance_rinv
*(periodicDistance_r2>
0);
\n
"
;
out
<<
nodeNames
[
j
]
<<
" =
(periodicDistance_r2 > 0 ?
-periodicDistance_delta.y*periodicDistance_rinv
:
0);
\n
"
;
else
if
(
argIndex
==
5
)
else
if
(
argIndex
==
5
)
out
<<
nodeNames
[
j
]
<<
" = -periodicDistance_delta.z*periodicDistance_rinv
*(periodicDistance_r2>
0);
\n
"
;
out
<<
nodeNames
[
j
]
<<
" =
(periodicDistance_r2 > 0 ?
-periodicDistance_delta.z*periodicDistance_rinv
:
0);
\n
"
;
}
}
}
}
else
{
else
{
...
...
tests/TestCustomExternalForce.h
View file @
b00edc8e
...
@@ -167,7 +167,7 @@ void testPeriodic() {
...
@@ -167,7 +167,7 @@ void testPeriodic() {
}
}
}
}
void
test
Github1191
()
{
void
test
ZeroPeriodicDistance
()
{
Vec3
vx
(
5
,
0
,
0
);
Vec3
vx
(
5
,
0
,
0
);
Vec3
vy
(
0
,
6
,
0
);
Vec3
vy
(
0
,
6
,
0
);
Vec3
vz
(
1
,
2
,
7
);
Vec3
vz
(
1
,
2
,
7
);
...
@@ -224,7 +224,7 @@ int main(int argc, char* argv[]) {
...
@@ -224,7 +224,7 @@ int main(int argc, char* argv[]) {
testForce
();
testForce
();
testManyParameters
();
testManyParameters
();
testPeriodic
();
testPeriodic
();
test
Github1191
();
test
ZeroPeriodicDistance
();
testIllegalVariable
();
testIllegalVariable
();
runPlatformTests
();
runPlatformTests
();
}
}
...
...
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