Closed unkcpz closed 1 year ago
Patch and project coverage have no change.
Comparison is base (
b99d88d
) 79.32% compared to head (d3223ea
) 79.32%.
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Using aiida structuredata type will give us more flexibility and control to the structure results get from query. The queryed OPTIMADE structure will -> aiida structuredata -> ase Atoms. The ASE structure as the trait of the widget because we want to use its versatile converter. It can also be fixed by https://github.com/Materials-Consortia/optimade-python-tools/pull/1570 but we need then bump optimade-client and then aiidalab widget base. Meanwhile, the optimade structure to aiida_structuredata is more robust and versatile to support such as the partially occupied sites.