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21 Open 82 Closed
21 Open 82 Closed
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Issues list

[BUG] Non-orthogonal cells do not evaluate correctly using the batch_eval() method bug Something isn't working
#279 opened May 31, 2024 by Chronum94
1
n_jitted_steps option buggy bug Something isn't working
#277 opened May 15, 2024 by M-R-Schaefer
Rename opt_name to name
#274 opened May 6, 2024 by PythonFZ
1
Piecewise linear MD temperature schedule enhancement New feature or request
#270 opened Apr 22, 2024 by Chronum94
@M-R-Schaefer
1
Allow apax node with data_file
#268 opened Apr 18, 2024 by PythonFZ
Input pipeline fully out of core enhancement New feature or request
#251 opened Apr 2, 2024 by M-R-Schaefer
variable name consistency enhancement New feature or request
#246 opened Mar 26, 2024 by M-R-Schaefer
Investigate usage of half neighbor list
#239 opened Mar 6, 2024 by M-R-Schaefer
Load Pretrained Models in tests using ZnTrack enhancement New feature or request
#205 opened Nov 13, 2023 by M-R-Schaefer
Check BAL scalability enhancement New feature or request
#203 opened Nov 11, 2023 by M-R-Schaefer
Complete Docs documentation Improvements or additions to documentation
#198 opened Nov 11, 2023 by M-R-Schaefer
1
Improve type hints and documentation documentation Improvements or additions to documentation
#194 opened Nov 9, 2023 by M-R-Schaefer
Utilize dataclasses in callback initialization
#191 opened Oct 31, 2023 by M-R-Schaefer
Rework shift and scale options to use pydantic directly
#181 opened Oct 20, 2023 by M-R-Schaefer
Better input datastructure enhancement New feature or request
#178 opened Oct 5, 2023 by M-R-Schaefer
1
ds_stats abstraction enhancement New feature or request
#177 opened Oct 5, 2023 by Tetracarbonylnickel
refactor ASE calculator enhancement New feature or request
#174 opened Sep 21, 2023 by M-R-Schaefer
Better empirical correction abstractions
#168 opened Sep 6, 2023 by M-R-Schaefer
Handling of incomplete labels
#163 opened Sep 4, 2023 by M-R-Schaefer
Add HDF5 dataset support enhancement New feature or request
#145 opened Jun 26, 2023 by M-R-Schaefer
Update Flax checkpointing to ORBAX
#138 opened Jun 6, 2023 by M-R-Schaefer
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