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

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Evangelos Voyiatzis
2024-10-14 09:43:07 +02:00
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parent 0c61cb02cc
commit 74af88bafd
1 changed files with 7 additions and 1 deletions
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8
unittest/force-styles/tests/angle-amoeba.yaml
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@ -20,7 +20,13 @@ angle_coeff: ! |
* ub 0.0 0.0 * ub 0.0 0.0
4 ub -7.6 1.5537 4 ub -7.6 1.5537
equilibrium: 4 1.9320794819577227 1.9687313962496038 2.1676989309769574 1.8936822384138474 equilibrium: 4 1.9320794819577227 1.9687313962496038 2.1676989309769574 1.8936822384138474
extract: ! "" extract: ! |
k2 1
k3 1
k4 1
k5 1
k6 1
theta0 1
natoms: 29 natoms: 29
init_energy: 22.644137017730763 init_energy: 22.644137017730763
init_stress: ! |2- init_stress: ! |2-