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Issues list

StructureData(cell=...) always returns _default_cell bug Something isn't working
#58 opened Nov 22, 2024 by mikibonacci
@mikibonacci
Inner lists querying
#57 opened Nov 21, 2024 by mikibonacci
1 task
Improve: guide for plugin migrations and submission examples coding-week enhancement New feature or request
#55 opened Nov 19, 2024 by mikibonacci
1 of 7 tasks
1
Kinds generation algorithm improvement
#53 opened Nov 18, 2024 by mikibonacci
Think if we want to rename Structure and StructureNode the mutable and immutable objects. (check if we have a DataNode coding-week help wanted Extra attention is needed question Further information is requested
#52 opened Oct 17, 2024 by mikibonacci
Being sure the properties supported in ASE, Pymatgen can be parsed coding-week
#45 opened Oct 10, 2024 by mikibonacci
3 tasks
@mikibonacci
DOCS improvements documentation Improvements or additions to documentation
#44 opened Oct 3, 2024 by mikibonacci
5 tasks
1
@mikibonacci
Should cell_charge and cell_magmom be mutually exclusive with the site-wise counterparts? question Further information is requested
#41 opened Sep 15, 2024 by mikibonacci
@mikibonacci
Collinear magnetic moments
#40 opened Sep 9, 2024 by mikibonacci
1 task
Magnetic moments units
#39 opened Sep 3, 2024 by mikibonacci
@mikibonacci
to_ase error when kind name includes string tag.
#26 opened Jul 19, 2024 by superstar54
2
Consider use case with different boundary conditions than periodic
#19 opened Apr 22, 2024 by mbercx
Should all properties be equal?
#15 opened Apr 19, 2024 by mbercx
3
What's the difference between supported properties and Stored properties?
#14 opened Apr 19, 2024 by superstar54
1
Simple syntax for users
#13 opened Apr 19, 2024 by superstar54
@mikibonacci
2
StructureData.cell in dir() but raises AttributeError
#12 opened Apr 19, 2024 by mbercx
2
Thoughts on JSON serialisation and pydantic?
#11 opened Apr 19, 2024 by mbercx
1
Test the performance of atomistic.StructureData vs orm.StructureData tests
#7 opened Jan 25, 2024 by mikibonacci
3 tasks done
@mikibonacci
3
3. How properties should be stored inside the StructureData Node
#3 opened Sep 26, 2023 by mikibonacci Design principles
@mikibonacci
7
2. Unsupported and custom properties enhancement New feature or request
#2 opened Sep 26, 2023 by mikibonacci
@mikibonacci
1
ProTip! Adding no:label will show everything without a label.