kim-api  2.0.3-git+v2.0.2-git-14-gf1578e2f.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.

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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