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UnitConversion__VC_128739598203_001

Title
A single sentence description.
Verification check of unit conversion v001
Description 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).


HISTORY:

Changes in version 001:
* Update for compatibility with kimpy 2.0.0
Disclaimer
A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.
None
Contributor Daniel S. Karls
Maintainer Daniel S. Karls
Publication Year 2021
How to Cite

This Verification Check is archived in OpenKIM [1-3].

[1] Verification check of unit conversion v001. OpenKIM; 2021. doi:10.25950/3efea563

[2] 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

[3] Elliott RS, Tadmor EB. Knowledgebase of Interatomic Models (KIM) Application Programming Interface (API). OpenKIM; 2011. doi:10.25950/ff8f563a

Click here to download the above citation in BibTeX format.
Funding Not available
Short KIM ID
The unique KIM identifier code.
VC_128739598203_001
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.
UnitConversion__VC_128739598203_001
DOI 10.25950/3efea563
https://doi.org/10.25950/3efea563
https://search.datacite.org/works/10.25950/3efea563
KIM Item TypeVerification Check
Properties
Properties as defined in kimspec.edn.
Simulator Name
The name of the simulator as defined in kimspec.edn.
none
Previous Version UnitConversion__VC_128739598203_000


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