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

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Evangelos Voyiatzis
2024-09-22 20:04:32 +02:00
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parent cd4bada16f
commit 1287977bee
1 changed files with 3 additions and 1 deletions
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unittest/force-styles/tests/angle-spica.yaml
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@ -20,7 +20,9 @@ angle_coeff: ! |
3 40.0 120.0 3 40.0 120.0
4 33.0 108.5 4 33.0 108.5
equilibrium: 4 1.9216075064457565 1.9425514574696887 2.0943951023931953 1.8936822384138474 equilibrium: 4 1.9216075064457565 1.9425514574696887 2.0943951023931953 1.8936822384138474
extract: ! "" extract: ! |
k 1
theta0 1
natoms: 29 natoms: 29
init_energy: 38.36438529349082 init_energy: 38.36438529349082
init_stress: ! |2- init_stress: ! |2-