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

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Evangelos Voyiatzis
2024-09-22 20:08:52 +02:00
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parent 517b4f4342
commit 662ea3a191
1 changed files with 5 additions and 1 deletions
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6
unittest/force-styles/tests/angle-quartic.yaml
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@ -16,7 +16,11 @@ angle_coeff: ! |
3 120.0 50.0 -9.5 -1.5 3 120.0 50.0 -9.5 -1.5
4 108.5 100.0 5.0 -2.0 4 108.5 100.0 5.0 -2.0
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: 41.0458477552901 init_energy: 41.0458477552901
init_stress: ! |2- init_stress: ! |2-