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tsoc
openmm
Commits
6250e8e2
Commit
6250e8e2
authored
Aug 12, 2014
by
peastman
Browse files
Merge pull request #582 from peastman/master
Fixed an overly strict test case
parents
5b3369ae
94f09d1e
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plugins/amoeba/platforms/cuda/tests/TestCudaAmoebaGeneralizedKirkwoodForce.cpp
...rms/cuda/tests/TestCudaAmoebaGeneralizedKirkwoodForce.cpp
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plugins/amoeba/platforms/cuda/tests/TestCudaAmoebaGeneralizedKirkwoodForce.cpp
View file @
6250e8e2
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@@ -7156,7 +7156,7 @@ static void testGeneralizedKirkwoodAmmoniaMutualPolarization( FILE* log ) {
...
@@ -7156,7 +7156,7 @@ static void testGeneralizedKirkwoodAmmoniaMutualPolarization( FILE* log ) {
expectedForces[6] = Vec3( 4.8035662e+02, 4.9704902e-01, 1.3948083e+02 );
expectedForces[6] = Vec3( 4.8035662e+02, 4.9704902e-01, 1.3948083e+02 );
expectedForces[7] = Vec3( 5.3895456e+00, -7.7131137e+01, 1.5826273e+02 );
expectedForces[7] = Vec3( 5.3895456e+00, -7.7131137e+01, 1.5826273e+02 );
double tolerance =
1
.0e-04;
double tolerance =
2
.0e-04;
compareForcesEnergy( testName, expectedEnergy, energy, expectedForces, forces, tolerance, log );
compareForcesEnergy( testName, expectedEnergy, energy, expectedForces, forces, tolerance, log );
}
}
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