From 42b607f70c2b969d5253c8a775865f4ce5b08b1e Mon Sep 17 00:00:00 2001 From: Paul Kent Date: Thu, 20 Feb 2025 13:42:55 -0500 Subject: [PATCH] Increase diamondC_2x1x1-Gaussian_pp localecp tol --- tests/solids/diamondC_2x1x1-Gaussian_pp_MSD/CMakeLists.txt | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/tests/solids/diamondC_2x1x1-Gaussian_pp_MSD/CMakeLists.txt b/tests/solids/diamondC_2x1x1-Gaussian_pp_MSD/CMakeLists.txt index 117a7fde46..56dfbc2962 100644 --- a/tests/solids/diamondC_2x1x1-Gaussian_pp_MSD/CMakeLists.txt +++ b/tests/solids/diamondC_2x1x1-Gaussian_pp_MSD/CMakeLists.txt @@ -27,7 +27,7 @@ list(APPEND diamondC_2x1x1-Gaussian_pp_MSD_SHORT_SCALARS "totenergy" "-21.341584 list(APPEND diamondC_2x1x1-Gaussian_pp_MSD_SHORT_SCALARS "kinetic" "19.99861447 0.207280984944") list(APPEND diamondC_2x1x1-Gaussian_pp_MSD_SHORT_SCALARS "potential" "-41.34019869 0.234973849712") list(APPEND diamondC_2x1x1-Gaussian_pp_MSD_SHORT_SCALARS "eeenergy" "-4.48998595 0.1") -list(APPEND diamondC_2x1x1-Gaussian_pp_MSD_SHORT_SCALARS "localecp" "-13.06854246 0.15") +list(APPEND diamondC_2x1x1-Gaussian_pp_MSD_SHORT_SCALARS "localecp" "-13.06854246 0.2") list(APPEND diamondC_2x1x1-Gaussian_pp_MSD_SHORT_SCALARS "nonlocalecp" "2.05740964 0.077946495184") list(APPEND diamondC_2x1x1-Gaussian_pp_MSD_SHORT_SCALARS "ionion" "-25.55132719 0.000003") qmc_run_and_check(