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unit test for extract() in bond-morse.yaml

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Evangelos Voyiatzis
2024-10-11 11:01:57 +02:00
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commit 856fd9d977
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unittest/force-styles/tests/bond-morse.yaml
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@ -18,6 +18,8 @@ bond_coeff: ! |
5 7000.0 0.3 1.0 5 7000.0 0.3 1.0
equilibrium: 5 1.5 1.1 1.3 1.2 1 equilibrium: 5 1.5 1.1 1.3 1.2 1
extract: ! | extract: ! |
d0 1
alpha 1
r0 1 r0 1
natoms: 29 natoms: 29
init_energy: 5.607154540709207 init_energy: 5.607154540709207