From 25c9f5a6ffcc54efc4a05f3ea2fcb2ca9556ff28 Mon Sep 17 00:00:00 2001 From: Evangelos Voyiatzis Date: Sun, 22 Sep 2024 20:01:52 +0200 Subject: [PATCH] unit test for extract() in angle-mm3.yaml --- unittest/force-styles/tests/angle-mm3.yaml | 4 +++- 1 file changed, 3 insertions(+), 1 deletion(-) diff --git a/unittest/force-styles/tests/angle-mm3.yaml b/unittest/force-styles/tests/angle-mm3.yaml index 9fb9460183..381f43187e 100644 --- a/unittest/force-styles/tests/angle-mm3.yaml +++ b/unittest/force-styles/tests/angle-mm3.yaml @@ -16,7 +16,9 @@ angle_coeff: ! | 3 50.0 120.0 4 100.0 108.5 equilibrium: 4 1.9216075064457565 1.9373154697137058 2.0943951023931953 1.8936822384138474 -extract: ! "" +extract: ! | + k2 1 + theta0 1 natoms: 29 init_energy: 44.72461548562619 init_stress: ! |2-