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tsoc
openmm
Commits
38acdd6e
Commit
38acdd6e
authored
Jan 08, 2015
by
Peter Eastman
Browse files
Adjusted the tolerance on a test that was failing on some computers
parent
46f7b76b
Changes
1
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1 changed file
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3 additions
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3 deletions
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-3
platforms/cpu/tests/TestCpuNonbondedForce.cpp
platforms/cpu/tests/TestCpuNonbondedForce.cpp
+3
-3
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platforms/cpu/tests/TestCpuNonbondedForce.cpp
View file @
38acdd6e
...
@@ -6,7 +6,7 @@
...
@@ -6,7 +6,7 @@
* Biological Structures at Stanford, funded under the NIH Roadmap for *
* Biological Structures at Stanford, funded under the NIH Roadmap for *
* Medical Research, grant U54 GM072970. See https://simtk.org. *
* Medical Research, grant U54 GM072970. See https://simtk.org. *
* *
* *
* Portions copyright (c) 2008-201
3
Stanford University and the Authors. *
* Portions copyright (c) 2008-201
5
Stanford University and the Authors. *
* Authors: Peter Eastman *
* Authors: Peter Eastman *
* Contributors: *
* Contributors: *
* *
* *
...
@@ -409,8 +409,8 @@ void testTriclinic() {
...
@@ -409,8 +409,8 @@ void testTriclinic() {
else
{
else
{
const
Vec3
force
=
delta
*
ONE_4PI_EPS0
*
(
-
1.0
/
(
distance
*
distance
*
distance
)
+
2.0
*
krf
);
const
Vec3
force
=
delta
*
ONE_4PI_EPS0
*
(
-
1.0
/
(
distance
*
distance
*
distance
)
+
2.0
*
krf
);
ASSERT_EQUAL_TOL
(
ONE_4PI_EPS0
*
(
1.0
/
distance
+
krf
*
distance
*
distance
-
crf
),
state
.
getPotentialEnergy
(),
1e-4
);
ASSERT_EQUAL_TOL
(
ONE_4PI_EPS0
*
(
1.0
/
distance
+
krf
*
distance
*
distance
-
crf
),
state
.
getPotentialEnergy
(),
1e-4
);
ASSERT_EQUAL_VEC
(
force
,
state
.
getForces
()[
0
],
TOL
);
ASSERT_EQUAL_VEC
(
force
,
state
.
getForces
()[
0
],
2e-5
);
ASSERT_EQUAL_VEC
(
-
force
,
state
.
getForces
()[
1
],
TOL
);
ASSERT_EQUAL_VEC
(
-
force
,
state
.
getForces
()[
1
],
2e-5
);
}
}
}
}
}
}
...
...
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