From d6d63b87d16403eb890a1090fe98d743d65d9b5c Mon Sep 17 00:00:00 2001 From: Evangelos Voyiatzis Date: Sun, 22 Sep 2024 20:05:32 +0200 Subject: [PATCH] unit test for extract() in angle-class2.yaml --- unittest/force-styles/tests/angle-class2.yaml | 6 +++++- 1 file changed, 5 insertions(+), 1 deletion(-) diff --git a/unittest/force-styles/tests/angle-class2.yaml b/unittest/force-styles/tests/angle-class2.yaml index ae2e3ff5ee..8901157d17 100644 --- a/unittest/force-styles/tests/angle-class2.yaml +++ b/unittest/force-styles/tests/angle-class2.yaml @@ -23,7 +23,11 @@ angle_coeff: ! | 3 ba 10.0 10.0 1.5 1.5 4 ba 0.0 20.0 1.5 1.5 equilibrium: 4 1.9216075064457565 1.9373154697137058 2.0943951023931953 1.8936822384138474 -extract: ! "" +extract: ! | + k2 1 + k3 1 + k4 1 + theta0 1 natoms: 29 init_energy: 46.44089683774903 init_stress: ! |2-