From 856fd9d97745d63e22f989570dfe566f154b40b0 Mon Sep 17 00:00:00 2001 From: Evangelos Voyiatzis Date: Fri, 11 Oct 2024 11:01:57 +0200 Subject: [PATCH] unit test for extract() in bond-morse.yaml --- unittest/force-styles/tests/bond-morse.yaml | 2 ++ 1 file changed, 2 insertions(+) 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