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SpeciesSupportedAsStated__VC_651200051721_002

Title
A single sentence description.
Verification check of species supported as stated v002
Description This verification check ensures that a model supports all of the species that it claims to. The verification check attempts to compute the energy for all clusters up to a preset size for all combinations of the species listed by the model. Several random samples are generated for each cluster. The check is successful if all elements appear in at least one successful calculation, i.e. the model does not abort during the calculation. This algorithm accounts for the fact that some models may only support species in certain combinations. For example a model supporting species A and B may be for an AB alloy and may only support A-B interactions and not A-A or B-B. The output provides full information on which interactions are supported and which are not. Note that this definition of 'support' does not imply that the model has non-trivial energy and/or force interactions for any of the species.
Disclaimer
A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.
None
Contributor tadmor
Maintainer tadmor
Creator
Publication Year 2019
Item Citation

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

[1] Verification check of species supported as stated v002. OpenKIM; 2019. doi:10.25950/67933cf4

[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_651200051721_002
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.
SpeciesSupportedAsStated__VC_651200051721_002
DOI 10.25950/67933cf4
https://doi.org/10.25950/67933cf4
https://search.datacite.org/works/10.25950/67933cf4
KIM Item TypeVerification Check
Properties
Properties as defined in kimspec.edn.
Simulator Name
The name of the simulator as defined in kimspec.edn.
ase
Programming Language(s)
The programming languages used in the code and the percentage of the code written in each one.
100.00% Python
Previous Version SpeciesSupportedAsStated__VC_651200051721_001


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