kim-api¶
Description¶
Open Knowledgebase of Interatomic Models.
KIM is an API and OpenKIM is a collection of interatomic models (potentials) for atomistic simulations. This is a library that can be used by simulation programs to get access to the models in the OpenKIM database.
This module only provides the API, the models can be installed with the package openkim-models, or the user can install them manually by running:
kim-api-collections-management install user MODELNAME
or:
kim-api-collections-management install user OpenKIM
to install them all.
More information¶
- Homepage: https://openkim.org/
Availability¶
| Module | NIC5 | Hercules2 | Dragon2 | Lemaitre3 | Dragon1 |
|---|---|---|---|---|---|
| kim-api/2.1.3-foss-2019b | ✓ | ✓ | |||
| kim-api/2.1.3-foss-2020a | ✓ | ✓ | ✓ | ||
| kim-api/2.1.3-intel-2019b | ✓ | ||||
| kim-api/2.1.3-intel-2020a | ✓ | ✓ | |||
| kim-api/2.3.0-GCC-12.3.0 | ✓ | ||||
| kim-api/2.3.0-GCCcore-11.2.0 | ✓ | ✓ | ✓ |