From 0d6abcb86a693eeff6aef717c7d3de102628ea06 Mon Sep 17 00:00:00 2001 From: Evangelos Voyiatzis Date: Sun, 22 Sep 2024 15:31:01 +0200 Subject: [PATCH] unit test for extract() in bond-mm3.yaml --- unittest/force-styles/tests/bond-mm3.yaml | 4 +++- 1 file changed, 3 insertions(+), 1 deletion(-) diff --git a/unittest/force-styles/tests/bond-mm3.yaml b/unittest/force-styles/tests/bond-mm3.yaml index eb7443f1c2..f5ba5c237c 100644 --- a/unittest/force-styles/tests/bond-mm3.yaml +++ b/unittest/force-styles/tests/bond-mm3.yaml @@ -17,7 +17,9 @@ bond_coeff: ! | 4 650.0 1.2 5 450.0 1.0 equilibrium: 5 1.5 1.1 1.3 1.2 1 -extract: ! "" +extract: ! | + k2 1 + r0 1 natoms: 29 init_energy: 4.247265008273143 init_stress: ! |-