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

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Evangelos Voyiatzis
2024-10-11 11:02:55 +02:00
committed by GitHub
parent 856fd9d977
commit 391f55b377
1 changed files with 4 additions and 1 deletions
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unittest/force-styles/tests/bond-nonlinear.yaml
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@ -17,7 +17,10 @@ bond_coeff: ! |
4 650.0 1.2 1.4 4 650.0 1.2 1.4
5 450.0 1.0 1.1 5 450.0 1.0 1.1
equilibrium: 5 1.5 1.1 1.3 1.2 1 equilibrium: 5 1.5 1.1 1.3 1.2 1
extract: ! "" extract: ! |
lamda 1
epsilon 1
r0 1
natoms: 29 natoms: 29
init_energy: 1.9451728032820943 init_energy: 1.9451728032820943
init_stress: ! |- init_stress: ! |-