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vasp-dev / py4vasp

Python interface for VASP
https://vasp.at/py4vasp/latest/
Apache License 2.0
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Check read() for consistency #125

Open martin-schlipf opened 10 months ago

martin-schlipf commented 10 months ago

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.

sudarshanv01 commented 10 months ago

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.

github-actions[bot] commented 1 week ago

We consider issues as stale if there has been no activity in them for 10 months.