From fffced9515d1a17fb72dfb739e83754add2cf691 Mon Sep 17 00:00:00 2001 From: Ye Luo Date: Thu, 17 Oct 2024 00:12:32 -0500 Subject: [PATCH] Increase d2psiM test tolerance in LiH-x --- src/QMCWaveFunctions/tests/test_einset_LiH.cpp | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/QMCWaveFunctions/tests/test_einset_LiH.cpp b/src/QMCWaveFunctions/tests/test_einset_LiH.cpp index aafb310c7b..4bd3a536cf 100644 --- 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));