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add extract() function to angle style cosine/squared

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This commit is contained in:
Axel Kohlmeyer
2024-09-19 07:21:15 -04:00
parent 6f10648d5f
commit 11838801d6
4 changed files with 23 additions and 6 deletions
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unittest/force-styles/tests/angle-cosine_squared.yaml
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@ -16,7 +16,9 @@ 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: 36.01162448576962
init_stress: ! |2-