aiida-core
https://github.com/aiidateam/aiida-core
Python
The official repository for the AiiDA code
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- Issues
- lsf scheduler plugin time string parsing, time format differs
- pytest fixtures provided by aiida-core - what more should be included?
- Have a WorkChain step get the transport
- Give an option to bands export to normalize or not with the sum of distances
- Need to get list of files on an input RemoteData node during `prepare_for_submission`
- Add support for `edge_project` to `QueryBuilder` constructor
- StructureData: xyz export / import loop fails
- improvements to caching documentation / ease of use
- QueryBuilder: gracefully handle errors with non-matching projection sizes
- Increase performance when creating a new node (before storing) and when using a base numeric node with overloading.
- Docs
- Python not yet supported