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Update unit test in improper-umbrella.yaml

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This commit is contained in:
Evangelos Voyiatzis
2025-02-06 21:22:05 +02:00
committed by GitHub
parent c918c7b547
commit ced5fd3240
1 changed files with 3 additions and 1 deletions
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unittest/force-styles/tests/improper-umbrella.yaml
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@ -13,7 +13,9 @@ improper_style: umbrella
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: ! |
kw 1
w0 1
natoms: 29 natoms: 29
init_energy: 120.51735030260785 init_energy: 120.51735030260785
init_stress: ! |2- init_stress: ! |2-