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Expose addiitonal parameters of a structure #7

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cpignedoli opened this issue Dec 13, 2024 · 0 comments
Open

Expose addiitonal parameters of a structure #7

cpignedoli opened this issue Dec 13, 2024 · 0 comments
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aiida-openbis/Notebooks/connection_to_openbis/aiida_utils.py

Line 500 in 11295fa

  • add:
volume = ase_geo.get_cell_volume()
cell = ase_geo.cell
fabioacl added a commit that referenced this issue Dec 13, 2024
@fabioacl
Issues #5, #6, and #7. Also made the export of object graph faster by…
18ac957 
… saving a history of objects. Instead of always calling openBIS for the objects. One may check inside the dictionary if it is already there.
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