aiidalab / aiidalab/aiidalab-qe
Refactor ALL AiiDA interactions to an `AiiDAService`
未关闭
enhancement
- 主要语言
- Python
- 星标
- 33
- 派生
- 25
- 平均合并
- 6 小时 7 分钟
- 30 天内合并 PR
- 8
描述
Currently, AiiDA interactions are spread across the codebase. I propose we move all such interactions to a dedicated `AiiDAService` class. Ideally, all `from aiida import ...` should be moved here, as well as any method that makes a call to AiiDA.
Two benefits:
1. Maintenance - any change in AiiDA would require only changes in this class
2. Future abstraction - we could then more easily switch the backend associated with the service from DB to REST API, as needed
贡献指南
这个仓库没有索引到贡献指南
评估
这个 Issue 还没有评估数据。