From 0e17fcc417f80780709d14fb314ee0bbd53fa6d4 Mon Sep 17 00:00:00 2001 From: Hans Pabst Date: Wed, 17 Sep 2025 14:47:52 +0200 Subject: [PATCH] Adjusted tolerance --- tests/QS/regtest-LnPP2/TEST_FILES.toml | 20 +------------------- 1 file changed, 1 insertion(+), 19 deletions(-) diff --git a/tests/QS/regtest-LnPP2/TEST_FILES.toml b/tests/QS/regtest-LnPP2/TEST_FILES.toml index 0cbca86dac..e2fa5a3011 100644 --- a/tests/QS/regtest-LnPP2/TEST_FILES.toml +++ b/tests/QS/regtest-LnPP2/TEST_FILES.toml @@ -3,7 +3,7 @@ # e.g. 0 means do not compare anything, running is enough # 1 compares the last total energy in the file # for details see cp2k/tools/do_regtest -"cecl3.inp" = [{matcher="E_total", tol=2e-12, ref=-77.44297796403167}] +"cecl3.inp" = [{matcher="E_total", tol=2e-12, ref=-77.44297796400000}] "prcl3.inp" = [{matcher="E_total", tol=2e-12, ref=-78.92550303116266}] "ndcl3.inp" = [{matcher="E_total", tol=2e-12, ref=-79.61434159284383}] "pmcl3.inp" = [{matcher="E_total", tol=2e-12, ref=-80.1463733929614}] @@ -17,21 +17,3 @@ "tmcl3.inp" = [{matcher="E_total", tol=2e-12, ref=-85.16789203070509}] "ybcl3.inp" = [{matcher="E_total", tol=2e-12, ref=-85.8867828510421}] "lucl3.inp" = [{matcher="E_total", tol=2e-12, ref=-86.4963141384957}] - - - - - - - - - - - - - - - - - -