From 2440564befe12b04455eb5254b032f1b63c8a934 Mon Sep 17 00:00:00 2001 From: Evangelos Voyiatzis Date: Thu, 6 Feb 2025 21:23:36 +0200 Subject: [PATCH] Update unit test in improper-cossq.yaml --- unittest/force-styles/tests/improper-cossq.yaml | 4 +++- 1 file changed, 3 insertions(+), 1 deletion(-) diff --git a/unittest/force-styles/tests/improper-cossq.yaml b/unittest/force-styles/tests/improper-cossq.yaml index 4faaa2214a..567e45da55 100644 --- a/unittest/force-styles/tests/improper-cossq.yaml +++ b/unittest/force-styles/tests/improper-cossq.yaml @@ -13,7 +13,9 @@ improper_style: cossq improper_coeff: ! | 1 75.0 120.2 2 45.0 59.5 -extract: ! "" +extract: ! | + k 1 + chi 1 natoms: 29 init_energy: 47.901206451962224 init_stress: ! |-