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unit test for extract() in angle-class2_p6.yaml

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Evangelos Voyiatzis
2024-10-11 10:58:32 +02:00
committed by GitHub
parent b619cce773
commit c8241dcab6
1 changed files with 7 additions and 1 deletions
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unittest/force-styles/tests/angle-class2_p6.yaml
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@ -23,7 +23,13 @@ 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
k5 1
k6 1
theta0 1
natoms: 29 natoms: 29
init_energy: 46.44080287964778 init_energy: 46.44080287964778
init_stress: ! |2- init_stress: ! |2-