A single sentence description.
|Verification Check of Dimer C1 Continuity v004|
|Description||Determines whether a model has a continuous energy and first derivative, i.e. belongs to the C^1 continuity class, for all possible dimers. For a model supporting N species, there are N + N!/(2(N-2)!) dimers for all possible species combinations. For each dimer, the equilibrium separation and cutoff are determined. The continuity across the cutoff is assessed. Then an analysis is performed to detect any discontinuities from half the equilibrium distance to the cutoff. Although the verification check only requires C^1 continuity to pass, continuity up to 3rd order is checked and reported.|
A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.
This Verification Check is archived in OpenKIM [1-3].
 Verification Check of Dimer C1 Continuity v004. OpenKIM; 2020. doi:10.25950/e8b9e8ee
 Tadmor EB, Elliott RS, Sethna JP, Miller RE, Becker CA. The potential of atomistic simulations and the Knowledgebase of Interatomic Models. JOM. 2011;63(7):17. doi:10.1007/s11837-011-0102-6
 Elliott RS, Tadmor EB. Knowledgebase of Interatomic Models (KIM) Application Programming Interface (API). OpenKIM; 2011. doi:10.25950/ff8f563aClick here to download the above citation in BibTeX format.
|Short KIM ID
The unique KIM identifier code.
|Extended KIM ID
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|KIM Item Type||Verification Check|
Properties as defined in kimspec.edn.
The name of the simulator as defined in kimspec.edn.
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