From f9b7013af36c69ec8be902f54682ad3fac6062dc Mon Sep 17 00:00:00 2001 From: Evangelos Voyiatzis Date: Thu, 6 Feb 2025 21:18:53 +0200 Subject: [PATCH] Update unit test in improper-sqdistharm.yaml --- unittest/force-styles/tests/improper-sqdistharm.yaml | 4 +++- 1 file changed, 3 insertions(+), 1 deletion(-) diff --git a/unittest/force-styles/tests/improper-sqdistharm.yaml b/unittest/force-styles/tests/improper-sqdistharm.yaml index 8bf671efbd..74ff07bb9a 100644 --- a/unittest/force-styles/tests/improper-sqdistharm.yaml +++ b/unittest/force-styles/tests/improper-sqdistharm.yaml @@ -13,7 +13,9 @@ improper_style: sqdistharm improper_coeff: ! | 1 75.0 5.5 2 45.0 6.2 -extract: ! "" +extract: ! | + k 1 + chi 1 natoms: 29 init_energy: 3997.62616072489 init_stress: ! |2-