From 79092e976ec76a941a79c53092c91da02769361a Mon Sep 17 00:00:00 2001 From: Thomas Applencourt Date: Tue, 11 Jul 2017 19:39:18 -0500 Subject: [PATCH] Workarroub BLAS-LAPCK error #53 or #51 --- 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 0c1a9d7e..4ba80d8b 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-8 + ezfio set hartree_fock thresh_scf 2.e-8 qp_run SCF $1 energy="$(ezfio get hartree_fock energy)" eq $energy $2 $thresh