From d4e1c79987bd5814764eb0d4d7b5d9f9e26d1e0c Mon Sep 17 00:00:00 2001 From: Paul Kent Date: Wed, 19 Feb 2025 11:17:08 -0500 Subject: [PATCH] Increase tol for short-diamondC_1x1x1-Gaussian_pp_Tw_cplx_MSD-1-16-potential --- .../diamondC_1x1x1-Gaussian_pp_Tw_cplx_MSD/CMakeLists.txt | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/tests/solids/diamondC_1x1x1-Gaussian_pp_Tw_cplx_MSD/CMakeLists.txt b/tests/solids/diamondC_1x1x1-Gaussian_pp_Tw_cplx_MSD/CMakeLists.txt index 152f3849be..964a0fda55 100644 --- a/tests/solids/diamondC_1x1x1-Gaussian_pp_Tw_cplx_MSD/CMakeLists.txt +++ b/tests/solids/diamondC_1x1x1-Gaussian_pp_Tw_cplx_MSD/CMakeLists.txt @@ -29,7 +29,7 @@ if(QMC_COMPLEX) list(APPEND diamondC_1x1x1-Gaussian_pp_Tw_cplx_MSD_SHORT_SCALARS "totenergy" "-11.65519310 0.011805237730") list(APPEND diamondC_1x1x1-Gaussian_pp_Tw_cplx_MSD_SHORT_SCALARS "variance" "1.539759784521 0.211329760575") list(APPEND diamondC_1x1x1-Gaussian_pp_Tw_cplx_MSD_SHORT_SCALARS "kinetic" "7.857471129807 0.053834125981") - list(APPEND diamondC_1x1x1-Gaussian_pp_Tw_cplx_MSD_SHORT_SCALARS "potential" "-19.513384734772 0.054910387369") + list(APPEND diamondC_1x1x1-Gaussian_pp_Tw_cplx_MSD_SHORT_SCALARS "potential" "-19.513384734772 0.07") list(APPEND diamondC_1x1x1-Gaussian_pp_Tw_cplx_MSD_SHORT_SCALARS "eeenergy" "-2.835644692415 0.017280154413") list(APPEND diamondC_1x1x1-Gaussian_pp_Tw_cplx_MSD_SHORT_SCALARS "localecp" "-5.360598387703 0.096994263787") list(APPEND diamondC_1x1x1-Gaussian_pp_Tw_cplx_MSD_SHORT_SCALARS "nonlocalecp" "1.458525910786 0.029846773207")