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tsoc
openmm
Commits
73c4302d
Commit
73c4302d
authored
Sep 02, 2016
by
peastman
Committed by
GitHub
Sep 02, 2016
Browse files
Merge pull request #1578 from peastman/gaybernetest
Fixed a test that was failing on CPU OpenCL
parents
e962bb4e
2c910db5
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tests/TestGayBerneForce.h
tests/TestGayBerneForce.h
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tests/TestGayBerneForce.h
View file @
73c4302d
...
...
@@ -78,7 +78,7 @@ void testPointParticles() {
State
state2
=
context
.
getState
(
State
::
Forces
|
State
::
Energy
,
false
,
2
);
ASSERT_EQUAL_TOL
(
state1
.
getPotentialEnergy
(),
state2
.
getPotentialEnergy
(),
1e-5
);
for
(
int
i
=
0
;
i
<
numParticles
;
i
++
)
ASSERT_EQUAL_VEC
(
state1
.
getForces
()[
i
],
state2
.
getForces
()[
i
],
1e-
5
);
ASSERT_EQUAL_VEC
(
state1
.
getForces
()[
i
],
state2
.
getForces
()[
i
],
1e-
4
);
}
void
testEnergyScales
()
{
...
...
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