v2.0.0 - Multiple elements

Added test data for multiple elements, in the form of a small barium oxide cell.

v1.9.0 - Added ACE descriptor reference data

Added files computed via the new ACE descriptor implementation for testing purposes. For now this is only one file for testing the implementation, once we will use the ACE descriptor for more and more models, we will have to add more.

What's Changed

• Added ACE descriptor data in #14

Full Changelog: 1.8.3...1.9.0

v1.8.3 - Added .cube files split along energy axis

Added LDOS cube files split along energy axis. This allows for testing the (L)DOS splitting interface in MALA.

What's Changed

• Added LDOS cube files split along energy axis in #13

Full Changelog: 1.8.2...1.8.3

v1.8.2 - Added JSON simulation output files

Added MALA processed JSON files containing simulation output.

What's Changed

• Adding MALA processed JSON files containing simulation output in #12

Full Changelog: 1.8.1...1.8.2

v1.8.1 - Be2 model included

Be2 data now include a trained model archive which can be used for examples and tests.

What's Changed

• Adding model file by @pcagas in #9

New Contributors

• @pcagas made their first contribution in #9

Full Changelog: 1.8.0...1.8.1

v1.8.0 - RODARE mirroring

Starting from this version, all new versions of this data repository will be mirrored on RODARE for access during CI runs.

v1.7.8 - Removed LFS

This now ACTUALLY removes the LFS for the files.

v1.7.7 - New RODARE test

Testing the RODARE integration again

v1.7.6 - Removed LFS

We only used LFS for the HDF5 files at the moment, so we did not save that much anyway. Also, it breaks the RODARE mirrow workflow, which we need to make the CI work with quota restriction. Further, the data in this repo is small enough, that LFS is not really needed.

v1.7.5 - Test updating with RODARE

The RODARE download works, but does it also work when updating?