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unit test for extract() in angle-cosine_squared_restricted.yaml

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Evangelos Voyiatzis
2024-09-22 20:09:37 +02:00
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parent 662ea3a191
commit 8355d3796a
1 changed files with 3 additions and 1 deletions
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unittest/force-styles/tests/angle-cosine_squared_restricted.yaml
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@ -17,7 +17,9 @@ angle_coeff: ! |
3 50.0 120.0
4 100.0 108.5
equilibrium: 4 1.9216075064457567 1.9373154697137058 2.0943951023931953 1.8936822384138476
extract: ! ""
extract: ! |
k 1
theta0 1
natoms: 29
init_energy: 43.16721849625078
init_stress: ! |2-