From 6be30d297b750c8e2eb4de1f5159cd84b499f3cb Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Fri, 3 Feb 2023 11:35:59 +0100 Subject: [PATCH] Fixed SCF tests --- src/hartree_fock/10.hf.bats | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/src/hartree_fock/10.hf.bats b/src/hartree_fock/10.hf.bats index 65117b76..35ae6188 100644 --- a/src/hartree_fock/10.hf.bats +++ b/src/hartree_fock/10.hf.bats @@ -114,7 +114,7 @@ function run() { @test "SiH3" { # 20.316100 54.0861s [[ -n $TRAVIS ]] && skip - run sih3.ezfio -5.455400439077580 + run sih3.ezfio -5.455417770259740 } @test "OH" { # 32.042200 1.36478m @@ -131,6 +131,6 @@ function run() { @test "SO2" { # 71.894900 3.22567m [[ -n $TRAVIS ]] && skip - run so2.ezfio -41.55800401346361 + run so2.ezfio -41.55806023244631 }