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Add layer group python interface#201

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atztogo merged 4 commits intospglib:developfrom
mikaelkuisma1:add-layer-group-python-interface
Nov 22, 2022
Merged

Add layer group python interface#201
atztogo merged 4 commits intospglib:developfrom
mikaelkuisma1:add-layer-group-python-interface

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@mikaelkuisma1
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Here is a perliminary python interface, which is naively based to very large extent based on reusing the previous code. What remains open is modifications of the interface for special needs of layer group (naming, method help etc.).

In addition, more exhaustive testing is needed. A single test is added for now.

I would be happy to polish this further and add tests.

@atztogo atztogo merged commit c9fad81 into spglib:develop Nov 22, 2022
@LecrisUT LecrisUT added the enhancement Significant ehancements label Mar 1, 2023
@LecrisUT LecrisUT changed the title Draft: Add layer group python interface Add layer group python interface Mar 1, 2023
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4 participants