From 96d99e3dd63b99adcada4016feffab4018d42d1d Mon Sep 17 00:00:00 2001 From: Evangelos Voyiatzis Date: Sun, 22 Sep 2024 15:33:46 +0200 Subject: [PATCH] unit test for extract() in bond-fene_expand.yaml --- unittest/force-styles/tests/bond-fene_expand.yaml | 7 ++++++- 1 file changed, 6 insertions(+), 1 deletion(-) diff --git a/unittest/force-styles/tests/bond-fene_expand.yaml b/unittest/force-styles/tests/bond-fene_expand.yaml index fc859d477c..250f89af15 100644 --- a/unittest/force-styles/tests/bond-fene_expand.yaml +++ b/unittest/force-styles/tests/bond-fene_expand.yaml @@ -17,7 +17,12 @@ bond_coeff: ! | 4 650 2.4 0.015 1.2 0.15 5 450 2 0.018 1 0.09 equilibrium: 5 1.5550000000000002 1.117 1.321 1.3139999999999998 1.06 -extract: ! "" +extract: ! | + k 1 + r0 1 + epsilon 1 + sigma 1 + shift 1 natoms: 29 init_energy: 5926.020859124294 init_stress: ! |-