A single sentence description.
|Verification check of unit conversion v001|
This verification check ensures that a model can properly convert units of length and energy. Working in one unit system, a random cluster of atoms is generated based on the smallest cutoff of the model such that the energy and/or forces (depending on what the model actually reports) are sizeable. Next, the model is reinitialized with a different set of registered units. The coordinates of the atoms in the cluster are rescaled to correspond to the new length units and the energy and/or forces are requested from the model once again. The energy and/or force returned by the model are then compared to a manual conversion of those originally returned (in the first set of units).|
Changes in version 001:
* Update for compatibility with kimpy 2.0.0
A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.
Daniel S. Karls|
Daniel S. Karls|
|How to Cite||
This Verification Check is archived in OpenKIM [1-3].
 Verification check of unit conversion v001. OpenKIM; 2021. doi:10.25950/3efea563
 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
The long form of the KIM ID including a human readable prefix (100 characters max), two underscores, and the Short KIM ID. Extended KIM IDs can only contain alpha-numeric characters (letters and digits) and underscores and must begin with a letter.
|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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