Comments (1)
I would close this for now, and reopen this if we actually need it.
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Related Issues (20)
- Use tempfile to handle LAMMPS and QE temporary files
- Align Python versions througout MALA HOT 2
- New containers are added to the registry, which should not actually be different
- Clean up cache entires after successfull merge of PR HOT 2
- Remove potentially obsolete step in CI CPU test workflow HOT 1
- Make OpenPMD consistent HOT 1
- Improve CI with regards to data repo updates HOT 3
- Delete caches after pushes to `develop`, `master` etc.
- Update CI to use BuildKit as docker builder
- Crash when using GPU in descriptor calculation HOT 6
- Document `parameters.descriptor.use_atomic_density_energy_formula`
- Add a Dockerfile linter
- Reavaluate GitHub artifacts versus cache
- Only build docker image when build context changed compared to `develop` branch
- Problem building QE (total energy module) HOT 5
- Shuffling can cause (tiny) information loss
- Update install documentation for test data version control
- API inconsistencies when saving and loading model snapshots
- Make activation applied to the output layer optional HOT 2
- Don't fix Python version in `.pre-commit-config.yaml`
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