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unit test for extract() in angle-class2.yaml

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Evangelos Voyiatzis
2024-09-22 20:05:32 +02:00
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parent 1287977bee
commit d6d63b87d1
1 changed files with 5 additions and 1 deletions
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6
unittest/force-styles/tests/angle-class2.yaml
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@ -23,7 +23,11 @@ angle_coeff: ! |
3 ba 10.0 10.0 1.5 1.5 3 ba 10.0 10.0 1.5 1.5
4 ba 0.0 20.0 1.5 1.5 4 ba 0.0 20.0 1.5 1.5
equilibrium: 4 1.9216075064457565 1.9373154697137058 2.0943951023931953 1.8936822384138474 equilibrium: 4 1.9216075064457565 1.9373154697137058 2.0943951023931953 1.8936822384138474
extract: ! "" extract: ! |
k2 1
k3 1
k4 1
theta0 1
natoms: 29 natoms: 29
init_energy: 46.44089683774903 init_energy: 46.44089683774903
init_stress: ! |2- init_stress: ! |2-