Commit 72d0fd40 authored by peastman's avatar peastman
Browse files

Fixed overly strict tolerance in test case

parent 8469621f
......@@ -1758,7 +1758,7 @@ void testWater125DpmeVsLongCutoffNoExclusions() {
// is just 1.062 kJ/mol. The difference is due to the fact that arithmetic mean combination rules are used
// up to the cutoff, while the reciprocal space uses the geometric mean. See DOI: 10.1021/acs.jctc.5b00726
ASSERT_EQUAL_TOL(refenergy, energy, 5E-6);
ASSERT_EQUAL_TOL(refenergy, energy, 5E-5);
ASSERT_EQUAL_TOL(gromacs_energy, energy, 5E-4);
for (int n = 0; n < numAtoms; ++n)
......
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