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

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Evangelos Voyiatzis
2024-09-22 20:24:26 +02:00
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parent 11aa128951
commit 6f6e365682
1 changed files with 4 additions and 1 deletions
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unittest/force-styles/tests/angle-cosine_periodic.yaml
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@ -15,7 +15,10 @@ angle_coeff: ! |
3 50.0 -1 3 3 50.0 -1 3
4 100.0 -1 4 4 100.0 -1 4
equilibrium: 4 3.141592653589793 3.141592653589793 2.0943951023931957 2.356194490192345 equilibrium: 4 3.141592653589793 3.141592653589793 2.0943951023931957 2.356194490192345
extract: ! "" extract: ! |
k 1
b 1
multiplicity 1
natoms: 29 natoms: 29
init_energy: 1178.5476942873006 init_energy: 1178.5476942873006
init_stress: ! |2- init_stress: ! |2-