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tsoc
openmm
Commits
a440d0cf
Commit
a440d0cf
authored
Sep 03, 2015
by
peastman
Browse files
Merge pull request #1121 from peastman/gcc
Fixed compilation error with gcc
parents
457d7bd2
1c3e2d6f
Changes
3
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3 changed files
with
3 additions
and
3 deletions
+3
-3
platforms/cuda/tests/TestCudaCustomCentroidBondForce.cpp
platforms/cuda/tests/TestCudaCustomCentroidBondForce.cpp
+1
-1
platforms/opencl/tests/TestOpenCLCustomCentroidBondForce.cpp
platforms/opencl/tests/TestOpenCLCustomCentroidBondForce.cpp
+1
-1
platforms/reference/tests/TestReferenceCustomCentroidBondForce.cpp
.../reference/tests/TestReferenceCustomCentroidBondForce.cpp
+1
-1
No files found.
platforms/cuda/tests/TestCudaCustomCentroidBondForce.cpp
View file @
a440d0cf
...
@@ -251,7 +251,7 @@ void testCustomWeights() {
...
@@ -251,7 +251,7 @@ void testCustomWeights() {
Context
context
(
system
,
integrator
,
platform
);
Context
context
(
system
,
integrator
,
platform
);
context
.
setPositions
(
positions
);
context
.
setPositions
(
positions
);
State
state
=
context
.
getState
(
State
::
Forces
|
State
::
Energy
);
State
state
=
context
.
getState
(
State
::
Forces
|
State
::
Energy
);
ASSERT_EQUAL_TOL
(
9
*
9
,
state
.
getPotentialEnergy
(),
TOL
);
ASSERT_EQUAL_TOL
(
9
.0
*
9.0
,
state
.
getPotentialEnergy
(),
TOL
);
ASSERT_EQUAL_VEC
(
Vec3
(
0
,
2
*
9
*
(
0.5
/
2.0
),
0
),
state
.
getForces
()[
0
],
TOL
);
ASSERT_EQUAL_VEC
(
Vec3
(
0
,
2
*
9
*
(
0.5
/
2.0
),
0
),
state
.
getForces
()[
0
],
TOL
);
ASSERT_EQUAL_VEC
(
Vec3
(
0
,
2
*
9
*
(
1.5
/
2.0
),
0
),
state
.
getForces
()[
1
],
TOL
);
ASSERT_EQUAL_VEC
(
Vec3
(
0
,
2
*
9
*
(
1.5
/
2.0
),
0
),
state
.
getForces
()[
1
],
TOL
);
ASSERT_EQUAL_VEC
(
Vec3
(
0
,
-
2
*
9
*
(
2.0
/
3.0
),
0
),
state
.
getForces
()[
2
],
TOL
);
ASSERT_EQUAL_VEC
(
Vec3
(
0
,
-
2
*
9
*
(
2.0
/
3.0
),
0
),
state
.
getForces
()[
2
],
TOL
);
...
...
platforms/opencl/tests/TestOpenCLCustomCentroidBondForce.cpp
View file @
a440d0cf
...
@@ -251,7 +251,7 @@ void testCustomWeights() {
...
@@ -251,7 +251,7 @@ void testCustomWeights() {
Context
context
(
system
,
integrator
,
platform
);
Context
context
(
system
,
integrator
,
platform
);
context
.
setPositions
(
positions
);
context
.
setPositions
(
positions
);
State
state
=
context
.
getState
(
State
::
Forces
|
State
::
Energy
);
State
state
=
context
.
getState
(
State
::
Forces
|
State
::
Energy
);
ASSERT_EQUAL_TOL
(
9
*
9
,
state
.
getPotentialEnergy
(),
TOL
);
ASSERT_EQUAL_TOL
(
9
.0
*
9.0
,
state
.
getPotentialEnergy
(),
TOL
);
ASSERT_EQUAL_VEC
(
Vec3
(
0
,
2
*
9
*
(
0.5
/
2.0
),
0
),
state
.
getForces
()[
0
],
TOL
);
ASSERT_EQUAL_VEC
(
Vec3
(
0
,
2
*
9
*
(
0.5
/
2.0
),
0
),
state
.
getForces
()[
0
],
TOL
);
ASSERT_EQUAL_VEC
(
Vec3
(
0
,
2
*
9
*
(
1.5
/
2.0
),
0
),
state
.
getForces
()[
1
],
TOL
);
ASSERT_EQUAL_VEC
(
Vec3
(
0
,
2
*
9
*
(
1.5
/
2.0
),
0
),
state
.
getForces
()[
1
],
TOL
);
ASSERT_EQUAL_VEC
(
Vec3
(
0
,
-
2
*
9
*
(
2.0
/
3.0
),
0
),
state
.
getForces
()[
2
],
TOL
);
ASSERT_EQUAL_VEC
(
Vec3
(
0
,
-
2
*
9
*
(
2.0
/
3.0
),
0
),
state
.
getForces
()[
2
],
TOL
);
...
...
platforms/reference/tests/TestReferenceCustomCentroidBondForce.cpp
View file @
a440d0cf
...
@@ -252,7 +252,7 @@ void testCustomWeights() {
...
@@ -252,7 +252,7 @@ void testCustomWeights() {
Context
context
(
system
,
integrator
,
platform
);
Context
context
(
system
,
integrator
,
platform
);
context
.
setPositions
(
positions
);
context
.
setPositions
(
positions
);
State
state
=
context
.
getState
(
State
::
Forces
|
State
::
Energy
);
State
state
=
context
.
getState
(
State
::
Forces
|
State
::
Energy
);
ASSERT_EQUAL_TOL
(
9
*
9
,
state
.
getPotentialEnergy
(),
TOL
);
ASSERT_EQUAL_TOL
(
9
.0
*
9.0
,
state
.
getPotentialEnergy
(),
TOL
);
ASSERT_EQUAL_VEC
(
Vec3
(
0
,
2
*
9
*
(
0.5
/
2.0
),
0
),
state
.
getForces
()[
0
],
TOL
);
ASSERT_EQUAL_VEC
(
Vec3
(
0
,
2
*
9
*
(
0.5
/
2.0
),
0
),
state
.
getForces
()[
0
],
TOL
);
ASSERT_EQUAL_VEC
(
Vec3
(
0
,
2
*
9
*
(
1.5
/
2.0
),
0
),
state
.
getForces
()[
1
],
TOL
);
ASSERT_EQUAL_VEC
(
Vec3
(
0
,
2
*
9
*
(
1.5
/
2.0
),
0
),
state
.
getForces
()[
1
],
TOL
);
ASSERT_EQUAL_VEC
(
Vec3
(
0
,
-
2
*
9
*
(
2.0
/
3.0
),
0
),
state
.
getForces
()[
2
],
TOL
);
ASSERT_EQUAL_VEC
(
Vec3
(
0
,
-
2
*
9
*
(
2.0
/
3.0
),
0
),
state
.
getForces
()[
2
],
TOL
);
...
...
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