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Update unit test in improper-sqdistharm.yaml

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Evangelos Voyiatzis
2025-02-06 21:18:53 +02:00
committed by GitHub
parent 33f5057488
commit f9b7013af3
1 changed files with 3 additions and 1 deletions
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unittest/force-styles/tests/improper-sqdistharm.yaml
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@ -13,7 +13,9 @@ improper_style: sqdistharm
improper_coeff: ! | improper_coeff: ! |
1 75.0 5.5 1 75.0 5.5
2 45.0 6.2 2 45.0 6.2
extract: ! "" extract: ! |
k 1
chi 1
natoms: 29 natoms: 29
init_energy: 3997.62616072489 init_energy: 3997.62616072489
init_stress: ! |2- init_stress: ! |2-