From c918c7b5475f56561493036686e58a57100906af Mon Sep 17 00:00:00 2001 From: Evangelos Voyiatzis Date: Thu, 6 Feb 2025 21:20:41 +0200 Subject: [PATCH] Update unit test in improper-inversion_harmonic.yaml --- unittest/force-styles/tests/improper-inversion_harmonic.yaml | 4 +++- 1 file changed, 3 insertions(+), 1 deletion(-) diff --git a/unittest/force-styles/tests/improper-inversion_harmonic.yaml b/unittest/force-styles/tests/improper-inversion_harmonic.yaml index 73eade4958..7697908c23 100644 --- a/unittest/force-styles/tests/improper-inversion_harmonic.yaml +++ b/unittest/force-styles/tests/improper-inversion_harmonic.yaml @@ -13,7 +13,9 @@ improper_style: inversion/harmonic improper_coeff: ! | 1 75.0 0.1 2 45.0 1.0 -extract: ! "" +extract: ! | + kw 1 + w0 1 natoms: 29 init_energy: 0.35230115027159387 init_stress: ! |-