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test/utils/rpdf_ref.py uses old rpdf API #6

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elcorto opened this issue Aug 4, 2023 · 0 comments
Open

test/utils/rpdf_ref.py uses old rpdf API #6

elcorto opened this issue Aug 4, 2023 · 0 comments
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@elcorto
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elcorto commented Aug 4, 2023

The line

crys.rpdf(coords, rmax=5.0, cell=cell, ...)

uses and older API that is no longer supported. It needs to be converted to using a Structure as input, where we build the latter using coords, cell and symbols.

This is not critical since the generated data is part of the repo in test/files/rpdf/, just has to be fixed if new data is to be generated.

@elcorto elcorto self-assigned this Aug 4, 2023
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