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Check read() for consistency #125

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martin-schlipf opened this issue Jan 16, 2024 · 1 comment
Open

Check read() for consistency #125

martin-schlipf opened this issue Jan 16, 2024 · 1 comment
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@martin-schlipf
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Revisit the read functionality of the various Refinery classes and make sure they behave in a consistent manner. Make a decision when elements are included as None and when they are skipped. A general idea could be that data that is added via a selection input is added whereas if it depends on the VASP setup it is set to None.

@martin-schlipf martin-schlipf added this to the Release 1.0 milestone Jan 16, 2024
@sudarshanv01
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Somewhat related, and writing here to make sure it is documented so I can take a look later: there is an issue with if not self._raw_data.cell.scale.is_none(): line in sturcture.py again. The issue is still the is_none() not applying to a numpy array where VaspData is expected.

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