Ontology
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- Dominant language
- Jupyter Notebook
- Stars
- 10
- Forks
- 4
- Avg merge
- 12h 31m
- Merged PRs (30d)
- 13
Description
The part that is currently missing are logical connections, like the equilibrium bulk modulus is the bulk modulus of the equilibrium structure. The EnergyVolumeCurve workflow calculates the equilibrium bulk modulus directly, while the ElasticMatrixWorkflow calculates the bulk modulus of a given structure. Both are only equal if the structure provided to the ElasticMatrixWorkflow is the equilibrium structure.
Contributor guide
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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 by comparing the EnergyVolumeCurve and ElasticMatrixWorkflow workflows described in the issue. Determine how the missing logical connection should be represented in the ontology, and define completion by recording that the equilibrium bulk modulus equals the bulk modulus of an ElasticMatrixWorkflow run only for the equilibrium structure.
Written by the indexing model from the issue text.
Assessment
- Domain
- backend
- Issue type
- Feature
- Difficulty
- 5/5
- Estimated time
- Over a week
- Activity status
- Stale
- Clarity
- Needs clarification
- Newbie friendliness
- 25/100