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Commit 203e5407 authored by Andy Simmonett's avatar Andy Simmonett
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Loosened tolerance for force checks slighly, for single precision CUDA test.

parent c08b19ee
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tests/TestDispersionPME.h
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...@@ -1208,8 +1208,10 @@ void testDMFDpmeEnergiesForcesWithExclusions() { ...@@ -1208,8 +1208,10 @@ void testDMFDpmeEnergiesForcesWithExclusions() {
ASSERT_EQUAL_TOL(refenergy, energy, 1E-4); ASSERT_EQUAL_TOL(refenergy, energy, 1E-4);
for (int n = 0; n < numAtoms; ++n) for (int n = 0; n < numAtoms; ++n)
ASSERT_EQUAL_VEC(refforces[n], forces[n], 1E-4); ASSERT_EQUAL_VEC(refforces[n], forces[n], 5E-4);
} }
void testWater2DpmeEnergiesForcesWithExclusions() { void testWater2DpmeEnergiesForcesWithExclusions() {
const double cutoff = 7.0*OpenMM::NmPerAngstrom; const double cutoff = 7.0*OpenMM::NmPerAngstrom;
const double alpha = 4.0124063605; const double alpha = 4.0124063605;
......
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