kim-api  2.1.1-git+v2.1.0-git-5-g40fce32c.GNU
An Application Programming Interface (API) for the Knowledgebase of Interatomic Models (KIM).
Summary of Differences Between kim-api-v1 and kim-api-v2

Previous Section: Implementation.

Note
This section describes version 2.0 of the KIM API. Additions made in version 2.1 and above to the KIM API package are not included.

Experience with using and supporting the kim-api-v1 package has shown that the package's complexity (in terms of the number of different "modes of operation"; e.g., neighbor lists: half, full, iterator, locator; Neighbor-list Boundary Conditions (NBCs): cluster, miopbc, neigh_pure, neigh_rvec; etc.) makes it difficult for new users to become competent kim-api-v1 code developers. This also means that KIM Models will only work with KIM-compliant codes that support the same modes of operation, thereby limiting the utility of the kim-api as a standard. Further, the kim-api's complexity results in model implementations that are convoluted due to developers' desire to support all modes of operation. This experience has led us to an approach that gives kim-api-v2 a dramatically simplified form, while still retaining a high degree of flexibility. Thus, in regard to feature design and selection for the kim-api-v2 package, we have taken "simplicity" as a guiding principle.

High-level changes between kim-api-v1 and kim-api-v2

Lower-level changes between kim-api-v2 and kim-api-v1

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