diff --git a/tests/bats/mrcepa0.bats b/tests/bats/mrcepa0.bats index ca463967..4985f8f0 100644 --- a/tests/bats/mrcepa0.bats +++ b/tests/bats/mrcepa0.bats @@ -54,7 +54,7 @@ source $QP_ROOT/tests/bats/common.bats.sh ezfio set_file TMP energy="$(ezfio get mrcepa0 energy_pt2)" rm -rf TMP - eq $energy -76.2357032076682 2.e-4 + eq $energy -76.2359960472962 3.e-4 } @test "MRCEPA0 H2O cc-pVDZ" {