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Update unit test in improper-harmonic.yaml

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This commit is contained in:
Evangelos Voyiatzis
2025-02-06 21:14:46 +02:00
committed by GitHub
parent 24f40c7db4
commit 61f4012300
1 changed files with 3 additions and 1 deletions
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unittest/force-styles/tests/improper-harmonic.yaml
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@ -13,7 +13,9 @@ improper_style: harmonic
improper_coeff: ! | improper_coeff: ! |
1 75.0 120.2 1 75.0 120.2
2 45.0 59.5 2 45.0 59.5
extract: ! "" extract: ! |
k 1
chi 1
natoms: 29 natoms: 29
init_energy: 369.34096479618404 init_energy: 369.34096479618404
init_stress: ! |2- init_stress: ! |2-