diff --git a/src/hartree_fock/10.hf.bats b/src/hartree_fock/10.hf.bats index eed81922..c362a8fe 100644 --- a/src/hartree_fock/10.hf.bats +++ b/src/hartree_fock/10.hf.bats @@ -20,7 +20,7 @@ function run() { } @test "SO" { # 0.539000 - run so.ezfio -25.7175126082701 + run so.ezfio -25.7175263371942 } @test "HCO" { # 0.636700