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Allow run model without providing AtomicData_options #155

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floatingCatty opened this issue Apr 29, 2024 · 0 comments · Fixed by #200
Closed

Allow run model without providing AtomicData_options #155

floatingCatty opened this issue Apr 29, 2024 · 0 comments · Fixed by #200
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Refactor code refactoring

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@floatingCatty
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Describe Current Status and Possible Solution

allowing this procedure when using ase atoms class or vasp structure file to run.

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refactor(data preprocess): remove the cut off options from info.json QG-phy/DeePTB
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@floatingCatty