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Open Knowledgebase of Interatomic Models. KIM is an API and OpenKIM is a collection of interatomic models (potentials) foratomistic for atomistic simulations. This is a library that can be used by simulation programsto programs to get access to the models in the OpenKIM database. This EasyBuild only installs the API, the models can be installed with thepackage the package openkim-models, or the user can install them manually by runningkimrunning kim-api-collections-management install user MODELNAMEorkimMODELNAME or kim-api-collections-management install user OpenKIMto OpenKIM to install them all.
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Version | Module | Available on |
|---|---|---|
2.3.0-foss-2022a | chem/kim-api/2.3.0-foss-2022a | Noctua 2 |
2.3.0-GCC-13.2.0 | chem/kim-api/2.3.0-GCC-13.2.0 | Noctua 2 |
2.3.0-GCC-11.2.0 | chem/kim-api/2.3.0-GCC-11.2.0 | Noctua 2 |
2.3.0-GCCcore-11.3.0 | chem/kim-api/2.3.0-GCCcore-11.3.0 | Noctua 1, Noctua 2 |
2.3.0-GCCcore-11.2.0 | chem/kim-api/2.3.0-GCCcore-11.2.0 | Noctua 1, Noctua 2 |
2.2.1-GCC-10.3.0-foss-2022a | chem/kim-api/2.2.1-GCC-10.3.0-foss-2022a | Noctua 2 |
2.2.1-GCCcore-10.3.0 | chem/kim-api/2.2.1-GCCcore-10.3.0 | Noctua 2 |
2.1.3-foss-2020a | chem/kim-api/2.1.3-foss-2020a | Noctua 2 |
2.1.3-foss-2019b | chem/kim-api/2.1.3-foss-2019b | Noctua 2 |
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