Merge pull request #2578 from Hyeondeok-Shin/deterministic_test

Add separated tolerance for r^2 == dr^2 check for the mixed precision…
QMCPACK · Jul 14, 2020 · da99fef · da99fef
2 parents a5d2e82 + 1620afe
commit da99fef
Showing 1 changed file with 4 additions and 0 deletions.
diff --git a/src/QMCWaveFunctions/tests/test_hybridrep.cpp b/src/QMCWaveFunctions/tests/test_hybridrep.cpp
@@ -245,7 +245,11 @@ TEST_CASE("Hybridrep SPO from HDF diamond_2x1x1", "[wavefunction]")
             << "r = " << r << " dr = " << dr << std::endl;
   std::cout << "abs(r^2 - dr^2) = " << std::abs(r * r - dot(dr, dr))
             << " epsilon = " << std::numeric_limits<double>::epsilon() << std::endl;
+#if defined(MIXED_PRECISION)
+  REQUIRE(std::abs(r * r - dot(dr, dr)) < std::numeric_limits<double>::epsilon() * 1e8);
+#else
   REQUIRE(std::abs(r * r - dot(dr, dr)) < std::numeric_limits<double>::epsilon());
+#endif
 
   // for vgl
   SPOSet::ValueMatrix_t psiM(elec_.R.size(), spo->getOrbitalSetSize());