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nomad-coe / electronic-parsers

Apache License 2.0
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Fix quantity types #215

Closed ladinesa closed 2 months ago

ladinesa commented 2 months ago

Fix wrong type and shape in metainfo quantities. @TLCFEM

ladinesa commented 2 months ago

This seems all fine to me. You may also want @ndaelman-hu to take a quick look in terms of some of the more specific things that you changed.

Question: Is there any case that one would use np.dtype() now? I vaguely remember in the past having to use this for some more complicated array structure, but I can't really remember or might be mistaken, or maybe something has changed.

You can stil use np.dtype() and it would be equivalent to not using it, it is a matter of preference I guess but @TLCFEM may know more.

ndaelman-hu commented 2 months ago

@ladinesa Are there any quantities that you didn't feel sure about? Anything that you want me to check in particular?

ladinesa commented 2 months ago

@ladinesa Are there any quantities that you didn't feel sure about? Anything that you want me to check in particular?

Nothing in particular. I did not make any changes in the schema, simply made sure that the assigned values are compatible with the defs.