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21 Open 15 Closed
21 Open 15 Closed
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Issues list

Think if we want to rename Structure and StructureNode the mutable and immutable objects. (check if we have a DataNode
#52 opened Oct 17, 2024 by mikibonacci
Default value of properties should be None
#51 opened Oct 17, 2024 by mikibonacci
Make it clear distinction Mutable or not, and clear error messages
#48 opened Oct 10, 2024 by mikibonacci
4 of 6 tasks
1
@mikibonacci
Query or not?
#47 opened Oct 10, 2024 by mikibonacci
9 tasks
@mikibonacci
Make explicit how to set the kinds thresholds
#46 opened Oct 10, 2024 by mikibonacci
3 of 6 tasks
1
@mikibonacci
Being sure the properties supported in ASE, Pymatgen can be parsed
#45 opened Oct 10, 2024 by mikibonacci
@mikibonacci
DOCS improvements wontfix This will not be worked on
#44 opened Oct 3, 2024 by mikibonacci
3 tasks
1
@mikibonacci
Use list of symbols when defining alloy
#42 opened Sep 16, 2024 by superstar54
@mikibonacci
1
Should tot_magnetization and tot_charge be properties of the structure?
#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.