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Increase d2psiM test tolerance in LiH-x
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ye-luo committed Oct 17, 2024
1 parent 47218c2 commit fffced9
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion src/QMCWaveFunctions/tests/test_einset_LiH.cpp
Original file line number Diff line number Diff line change
Expand Up @@ -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));
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