From 3ec31857f9f89426f31c9fce9a91e0d4565cab93 Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Fri, 28 Aug 2020 23:57:11 +0200 Subject: [PATCH] Try to fix travis NaN --- src/hartree_fock/10.hf.bats | 1 + 1 file changed, 1 insertion(+) diff --git a/src/hartree_fock/10.hf.bats b/src/hartree_fock/10.hf.bats index 6f13e595..54845685 100644 --- a/src/hartree_fock/10.hf.bats +++ b/src/hartree_fock/10.hf.bats @@ -11,6 +11,7 @@ function run() { qp edit --check qp reset --mos qp set scf_utils n_it_scf_max 50 + qp set ao_one_e_ints lin_dep_cutoff 1.e-50 qp run scf # qp set_frozen_core energy="$(ezfio get hartree_fock energy)"