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UnitConversion__VC_128739598203_000

Title
A single sentence description.
Verification check of unit conversion v000
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).
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
Published on KIM 2019
How to Cite Click here to download this citation in BibTeX format.
Funding Not available
Short KIM ID
The unique KIM identifier code.
VC_128739598203_000
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_000
DOI 10.25950/79265377
https://doi.org/10.25950/79265377
https://commons.datacite.org/doi.org/10.25950/79265377
KIM Item TypeVerification Check
Properties
Properties as defined in kimspec.edn.
KIM API Version2.0
Simulator Name
The name of the simulator as defined in kimspec.edn.
none
Programming Language(s)
The programming languages used in the code and the percentage of the code written in each one.
100.00% Python


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