From 11eb9ba6796d9b404282b5ce8f1706bbcd807856 Mon Sep 17 00:00:00 2001 From: Matthias Krack Date: Mon, 8 Aug 2022 15:30:47 +0200 Subject: [PATCH] Adjust tolerances --- tests/QS/regtest-gapw-1/TEST_FILES | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/tests/QS/regtest-gapw-1/TEST_FILES b/tests/QS/regtest-gapw-1/TEST_FILES index dade6159b7..9672d46fae 100644 --- a/tests/QS/regtest-gapw-1/TEST_FILES +++ b/tests/QS/regtest-gapw-1/TEST_FILES @@ -21,7 +21,7 @@ c8_broy_gapw_all_xashh.inp 1 2e-11 - # different scf_env CO_xastpfh_gsot.inp 1 8e-14 -79.09997113686542 # XAS TP choice of core occ from input -CO_xastpflex.inp 1 8e-14 -104.77564814878426 +CO_xastpflex.inp 1 1e-13 -104.77564814878426 CO_xastpflex_c0.3l0.7.inp 1 1e-05 -96.350590808933305 -CO_xastpflex_c0.3.inp 1 8e-14 -96.243337525982160 +CO_xastpflex_c0.3.inp 1 1e-13 -96.243337525982160 #EOF