Merge pull request #5204 from ye-luo/adjust-test

Increase d2psiM test tolerance in LiH-x
QMCPACK · Oct 18, 2024 · 851f1be · 851f1be
2 parents b250174 + b495b50
commit 851f1be
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/src/QMCWaveFunctions/tests/test_einset_LiH.cpp b/src/QMCWaveFunctions/tests/test_einset_LiH.cpp
@@ -113,7 +113,7 @@ void test_einset_LiH_x(bool use_offload)
   CHECK(std::real(dpsiM[1][1][2]) == Approx(0.4088463187));
   // lapl
   CHECK(std::real(d2psiM[1][0]) == Approx(1.7295608521).epsilon(4e-5));
-  CHECK(std::real(d2psiM[1][1]) == Approx(0.7432643771));
+  CHECK(std::real(d2psiM[1][1]) == Approx(0.7432643771).epsilon(2e-5));
 #else
   CHECK(std::real(psiM[1][0]) == Approx(-1.1857329607));
   CHECK(std::real(psiM[1][1]) == Approx(0.4717386365));