From e3ab697dd2a1a8e457a37faedab224c78df25b18 Mon Sep 17 00:00:00 2001 From: Evangelos Voyiatzis Date: Fri, 11 Oct 2024 19:49:24 +0200 Subject: [PATCH] unit test for extract() in angle-gaussian.yaml --- unittest/force-styles/tests/angle-gaussian.yaml | 5 ++++- 1 file changed, 4 insertions(+), 1 deletion(-) diff --git a/unittest/force-styles/tests/angle-gaussian.yaml b/unittest/force-styles/tests/angle-gaussian.yaml index 0022862384..8fbc353df3 100644 --- a/unittest/force-styles/tests/angle-gaussian.yaml +++ b/unittest/force-styles/tests/angle-gaussian.yaml @@ -16,7 +16,10 @@ angle_coeff: ! | 3 300.0 2 0.2189 8.66 88.1 0.5439 9.94 142.7 4 300.0 2 0.0214 14.29 85.3 0.3934 18.22 118.1 equilibrium: 4 1.5376350710070041 1.4887658519511628 1.5376350710070041 1.4887658519511628 -extract: ! "" +extract: ! | + alpha 2 + width 2 + theta0 2 natoms: 29 init_energy: 57.794009158943744 init_stress: ! |2-