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SpeciesSupportedAsStated__VC_651200051721_001

Title
A single sentence description.
Verification check of species supported as stated v001
Description This verfication check ensures that a model supports all of the species that it claims. The verification check attempts to compute the energy for all clusters up to a preset size for all combinations of supported elements. Several random samples are generated for each cluster. The check is successful if all elements appear in at least one successful 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.
Disclaimer
A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.
None
Contributor Ellad B. Tadmor
Maintainer Ellad B. Tadmor
Published on KIM 2018
How to Cite Click here to download this citation in BibTeX format.
Funding Not available
Short KIM ID
The unique KIM identifier code.
VC_651200051721_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.
SpeciesSupportedAsStated__VC_651200051721_001
DOI 10.25950/e4bcc763
https://doi.org/10.25950/e4bcc763
https://search.datacite.org/works/10.25950/e4bcc763
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_000


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Sim_LAMMPS_BOP_ZhouWardFoster_2015_CCu__SM_784926969362_000 other view