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Commit 5866a98f authored by peastman's avatar peastman
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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
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...@@ -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) 2013 Stanford University and the Authors. * * Portions copyright (c) 2013-2015 Stanford University and the Authors. *
* Authors: Peter Eastman * * Authors: Peter Eastman *
* Contributors: * * Contributors: *
* * * *
...@@ -171,7 +171,7 @@ void testWater() { ...@@ -171,7 +171,7 @@ void testWater() {
int numDrudeDof = 3*numMolecules; int numDrudeDof = 3*numMolecules;
int numDof = numStandardDof+numDrudeDof; int numDof = numStandardDof+numDrudeDof;
double expectedTemp = (numStandardDof*temperature+numDrudeDof*temperatureDrude)/numDof; double expectedTemp = (numStandardDof*temperature+numDrudeDof*temperatureDrude)/numDof;
ASSERT_USUALLY_EQUAL_TOL(expectedTemp, ke/(0.5*numDof*BOLTZ), 0.02); ASSERT_USUALLY_EQUAL_TOL(expectedTemp, ke/(0.5*numDof*BOLTZ), 0.03);
} }
int main() { int main() {
......
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