deepmodeling / deepmodeling/DeePTB
a unified Data test
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- Dominant language
- Python
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- 122
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Description
### Background
In case we add multiple DFT output dependence. A unified test of data parsing and dataset building is essential. The test can be divided into two steps:
1. The parsing test of each DFT package's interfaces.
2. The unified test of data set building from parsing results.
### Describe the solution you'd like
Implement the function to support this test.
### Additional Context
_No response_
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Assessment
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