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unit test for extract() in bond-mm3.yaml

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Evangelos Voyiatzis
2024-09-22 15:31:01 +02:00
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parent 8294bea7a7
commit 0d6abcb86a
1 changed files with 3 additions and 1 deletions
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unittest/force-styles/tests/bond-mm3.yaml
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@ -17,7 +17,9 @@ bond_coeff: ! |
4 650.0 1.2
5 450.0 1.0
equilibrium: 5 1.5 1.1 1.3 1.2 1
extract: ! ""
extract: ! |
k2 1
r0 1
natoms: 29
init_energy: 4.247265008273143
init_stress: ! |-