From d1dd05bf4e3de907401cc75f9eb38e4d53873fa1 Mon Sep 17 00:00:00 2001 From: Evangelos Voyiatzis Date: Fri, 4 Apr 2025 17:19:54 +0200 Subject: [PATCH] update unit test for quadratic dihedral --- unittest/force-styles/tests/dihedral-quadratic.yaml | 4 +++- 1 file changed, 3 insertions(+), 1 deletion(-) diff --git a/unittest/force-styles/tests/dihedral-quadratic.yaml b/unittest/force-styles/tests/dihedral-quadratic.yaml index 21ddf42df0..3780ec61e4 100644 --- a/unittest/force-styles/tests/dihedral-quadratic.yaml +++ b/unittest/force-styles/tests/dihedral-quadratic.yaml @@ -17,7 +17,9 @@ dihedral_coeff: ! | 3 25 100 4 35 110 5 85 120 -extract: ! "" +extract: ! | + k 1 + phi0 1 natoms: 29 init_energy: 6216.314347066598 init_stress: ! |2-