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tsoc
openmm
Commits
49aa594d
Commit
49aa594d
authored
Aug 17, 2009
by
Peter Eastman
Browse files
Changes to fix compilation errors under Windows
parent
679ca620
Changes
4
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4 changed files
with
5 additions
and
5 deletions
+5
-5
CMakeLists.txt
CMakeLists.txt
+2
-2
platforms/cuda/tests/TestCudaCustomNonbondedForce.cpp
platforms/cuda/tests/TestCudaCustomNonbondedForce.cpp
+1
-1
platforms/reference/tests/TestReferenceCustomNonbondedForce.cpp
...rms/reference/tests/TestReferenceCustomNonbondedForce.cpp
+1
-1
platforms/reference/tests/TestReferenceEwald.cpp
platforms/reference/tests/TestReferenceEwald.cpp
+1
-1
No files found.
CMakeLists.txt
View file @
49aa594d
...
...
@@ -248,10 +248,10 @@ ENDIF(OPENMM_BUILD_API_WRAPPERS)
INCLUDE_DIRECTORIES
(
BEFORE
${
CMAKE_CURRENT_SOURCE_DIR
}
/src
)
ADD_LIBRARY
(
${
SHARED_TARGET
}
SHARED
${
SOURCE_FILES
}
${
SOURCE_INCLUDE_FILES
}
${
API_ABS_INCLUDE_FILES
}
)
SET_TARGET_PROPERTIES
(
${
SHARED_TARGET
}
PROPERTIES COMPILE_FLAGS
"-DOPENMM_BUILDING_SHARED_LIBRARY"
)
SET_TARGET_PROPERTIES
(
${
SHARED_TARGET
}
PROPERTIES COMPILE_FLAGS
"-DOPENMM_BUILDING_SHARED_LIBRARY
-DLEPTON_BUILDING_SHARED_LIBRARY
"
)
ADD_LIBRARY
(
${
STATIC_TARGET
}
STATIC
${
SOURCE_FILES
}
${
SOURCE_INCLUDE_FILES
}
${
API_ABS_INCLUDE_FILES
}
)
SET_TARGET_PROPERTIES
(
${
STATIC_TARGET
}
PROPERTIES COMPILE_FLAGS
"-DOPENMM_USE_STATIC_LIBRARIES -DOPENMM_BUILDING_STATIC_LIBRARY"
)
SET_TARGET_PROPERTIES
(
${
STATIC_TARGET
}
PROPERTIES COMPILE_FLAGS
"-DOPENMM_USE_STATIC_LIBRARIES -DOPENMM_BUILDING_STATIC_LIBRARY
-DLEPTON_USE_STATIC_LIBRARIES -DLEPTON_BUILDING_STATIC_LIBRARY
"
)
# On Linux need to link to libdl
FIND_LIBRARY
(
DL_LIBRARY dl
)
...
...
platforms/cuda/tests/TestCudaCustomNonbondedForce.cpp
View file @
49aa594d
...
...
@@ -170,7 +170,7 @@ void testCutoff() {
ASSERT_EQUAL_VEC
(
Vec3
(
0
,
1
,
0
),
forces
[
0
],
TOL
);
ASSERT_EQUAL_VEC
(
Vec3
(
0
,
0
,
0
),
forces
[
1
],
TOL
);
ASSERT_EQUAL_VEC
(
Vec3
(
0
,
-
1
,
0
),
forces
[
2
],
TOL
);
ASSERT_EQUAL_TOL
(
2
+
1
,
state
.
getPotentialEnergy
(),
TOL
);
ASSERT_EQUAL_TOL
(
2
.0
+
1.0
,
state
.
getPotentialEnergy
(),
TOL
);
}
void
testPeriodic
()
{
...
...
platforms/reference/tests/TestReferenceCustomNonbondedForce.cpp
View file @
49aa594d
...
...
@@ -170,7 +170,7 @@ void testCutoff() {
ASSERT_EQUAL_VEC
(
Vec3
(
0
,
1
,
0
),
forces
[
0
],
TOL
);
ASSERT_EQUAL_VEC
(
Vec3
(
0
,
0
,
0
),
forces
[
1
],
TOL
);
ASSERT_EQUAL_VEC
(
Vec3
(
0
,
-
1
,
0
),
forces
[
2
],
TOL
);
ASSERT_EQUAL_TOL
(
2
+
1
,
state
.
getPotentialEnergy
(),
TOL
);
ASSERT_EQUAL_TOL
(
2
.0
+
1.0
,
state
.
getPotentialEnergy
(),
TOL
);
}
void
testPeriodic
()
{
...
...
platforms/reference/tests/TestReferenceEwald.cpp
View file @
49aa594d
...
...
@@ -79,7 +79,7 @@ void testLargeSystem() {
// cout << "force 0: " << forces[0] << endl;
// cout << "force 1: " << forces[1] << endl;
cout
<<
"PotentialEnergy: "
<<
state
.
getPotentialEnergy
()
<<
endl
;
ASSERT_EQUAL_TOL
(
-
430355
,
state
.
getPotentialEnergy
(),
100
*
TOL
);
ASSERT_EQUAL_TOL
(
-
430355
.0
,
state
.
getPotentialEnergy
(),
100
*
TOL
);
// ASSERT_EQUAL_VEC(Vec3(-123.711, 64.1877, -302.716), forces[0], 10*TOL);
// ASSERT_EQUAL_VEC(Vec3(123.711, -64.1877, 302.716), forces[1], 10*TOL);
}
...
...
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