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unit test for extract() in angle-mm3.yaml

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Evangelos Voyiatzis
2024-09-22 20:01:52 +02:00
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parent 96d99e3dd6
commit 25c9f5a6ff
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4
unittest/force-styles/tests/angle-mm3.yaml
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@ -16,7 +16,9 @@ angle_coeff: ! |
3 50.0 120.0
4 100.0 108.5
equilibrium: 4 1.9216075064457565 1.9373154697137058 2.0943951023931953 1.8936822384138474
extract: ! ""
extract: ! |
k2 1
theta0 1
natoms: 29
init_energy: 44.72461548562619
init_stress: ! |2-