diff --git a/unittest/force-styles/tests/bond-morse.yaml b/unittest/force-styles/tests/bond-morse.yaml index d17e1db97e..f56662efd6 100644 --- a/unittest/force-styles/tests/bond-morse.yaml +++ b/unittest/force-styles/tests/bond-morse.yaml @@ -18,6 +18,8 @@ bond_coeff: ! | 5 7000.0 0.3 1.0 equilibrium: 5 1.5 1.1 1.3 1.2 1 extract: ! | + d0 1 + alpha 1 r0 1 natoms: 29 init_energy: 5.607154540709207