diff --git a/src/hartree_fock/10.hf.bats b/src/hartree_fock/10.hf.bats index 78f630ce..a45d5daf 100644 --- a/src/hartree_fock/10.hf.bats +++ b/src/hartree_fock/10.hf.bats @@ -5,7 +5,7 @@ source $QP_ROOT/quantum_package.rc function run() { - thresh=1.e-8 + thresh=1.e-7 test_exe scf || skip qp set_file $1 qp edit --check @@ -18,7 +18,7 @@ function run() { @test "B-B" { # 3s - run b2_stretched.ezfio -48.9950585752809 + run b2_stretched.ezfio -48.9950585434279 } @test "SiH2_3B1" { # 0.539000 1.51094s