From 68587627455412fb2131ca87fc76067af8345410 Mon Sep 17 00:00:00 2001 From: Thomas Applencourt Date: Tue, 11 Jul 2017 19:17:51 -0500 Subject: [PATCH] Update hf.bats --- tests/bats/hf.bats | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/tests/bats/hf.bats b/tests/bats/hf.bats index e280c986..0c1a9d7e 100644 --- a/tests/bats/hf.bats +++ b/tests/bats/hf.bats @@ -14,7 +14,7 @@ function run_HF() { test_exe SCF || skip qp_edit -c $1 ezfio set_file $1 - ezfio set hartree_fock thresh_scf 1.e-11 + ezfio set hartree_fock thresh_scf 1.e-8 qp_run SCF $1 energy="$(ezfio get hartree_fock energy)" eq $energy $2 $thresh