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Update unit test in improper-cvff.yaml

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This commit is contained in:
Evangelos Voyiatzis
2025-02-06 21:13:38 +02:00
committed by GitHub
parent ea9166d175
commit 24f40c7db4
1 changed files with 4 additions and 1 deletions
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unittest/force-styles/tests/improper-cvff.yaml
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@ -13,7 +13,10 @@ improper_style: cvff
improper_coeff: ! | improper_coeff: ! |
1 75.0 -1 5 1 75.0 -1 5
2 45.0 +1 2 2 45.0 +1 2
extract: ! "" extract: ! |
k 1
sign 1
multiplicity 1
natoms: 29 natoms: 29
init_energy: 89.33266688553577 init_energy: 89.33266688553577
init_stress: ! |2- init_stress: ! |2-