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Update unit test in improper-inversion_harmonic.yaml

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Evangelos Voyiatzis
2025-02-06 21:20:41 +02:00
committed by GitHub
parent f9b7013af3
commit c918c7b547
1 changed files with 3 additions and 1 deletions
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unittest/force-styles/tests/improper-inversion_harmonic.yaml
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@ -13,7 +13,9 @@ improper_style: inversion/harmonic
improper_coeff: ! | improper_coeff: ! |
1 75.0 0.1 1 75.0 0.1
2 45.0 1.0 2 45.0 1.0
extract: ! "" extract: ! |
kw 1
w0 1
natoms: 29 natoms: 29
init_energy: 0.35230115027159387 init_energy: 0.35230115027159387
init_stress: ! |- init_stress: ! |-