Define what needs to be parsed
Nobody has claimed this yet.
- Dominant language
- Python
- Stars
- 0
- Forks
- 0
- Avg merge
- 15m
- Merged PRs (30d)
- 6
Description
Let's have a clear scope of what parsing needs to return:
A dict of objects (1 object per file)?
A dict of generic DFT outputs (stresses, magmoms, forces, energies etc.)?
The goal is to minimise any custom parsing that we might have to do ourselves, and leverage existing parsers where possible (ase, pymatgen etc.)
Contributor guide
No contributing guide indexed for this repository
First steps
- Read the whole issue, then the project's contributing guide.
- Comment on the issue to say you are picking it up — it saves two people doing the same work.
- Fork the repository and make your change on a branch.
- Open a pull request that references the issue number.
Research direction
Start with the issue's open questions about whether parsing should return one object per file or generic DFT outputs. Review the existing ASE and pymatgen parsers mentioned there, then document and agree on the parser's returned scope. Done means the return structure and supported outputs are explicitly decided.
Written by the indexing model from the issue text.
Assessment
- Tech stack
- python
- Domain
- data
- Issue type
- Feature
- Difficulty
- 5/5
- Estimated time
- Over a week
- Activity status
- Stale
- Clarity
- Needs clarification
- Newbie friendliness
- 25/100