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tsoc
openmm
Commits
5866a98f
Commit
5866a98f
authored
Aug 24, 2015
by
peastman
Browse files
Merge pull request #1105 from peastman/drudetest
Fixed an overly sensitive test case
parents
2de02ad1
6e8f68a5
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plugins/drude/platforms/reference/tests/TestReferenceDrudeLangevinIntegrator.cpp
.../reference/tests/TestReferenceDrudeLangevinIntegrator.cpp
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plugins/drude/platforms/reference/tests/TestReferenceDrudeLangevinIntegrator.cpp
View file @
5866a98f
...
...
@@ -6,7 +6,7 @@
* Biological Structures at Stanford, funded under the NIH Roadmap for *
* Medical Research, grant U54 GM072970. See https://simtk.org. *
* *
* Portions copyright (c) 2013 Stanford University and the Authors.
*
* Portions copyright (c) 2013
-2015
Stanford University and the Authors. *
* Authors: Peter Eastman *
* Contributors: *
* *
...
...
@@ -171,7 +171,7 @@ void testWater() {
int
numDrudeDof
=
3
*
numMolecules
;
int
numDof
=
numStandardDof
+
numDrudeDof
;
double
expectedTemp
=
(
numStandardDof
*
temperature
+
numDrudeDof
*
temperatureDrude
)
/
numDof
;
ASSERT_USUALLY_EQUAL_TOL
(
expectedTemp
,
ke
/
(
0.5
*
numDof
*
BOLTZ
),
0.0
2
);
ASSERT_USUALLY_EQUAL_TOL
(
expectedTemp
,
ke
/
(
0.5
*
numDof
*
BOLTZ
),
0.0
3
);
}
int
main
()
{
...
...
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