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Add missing parameter docstrings
documentation
Improvements or additions to documentation
not critical
#587
opened Oct 18, 2024 by
RandomDefaultUser
Move "use_atomic_density_energy_formula" parameter
enhancement
New feature or request
important
#586
opened Oct 18, 2024 by
RandomDefaultUser
Implement LDOS alignment for OpenPMD
enhancement
New feature or request
not critical
#578
opened Oct 7, 2024 by
RandomDefaultUser
Make activation applied to the output layer optional
enhancement
New feature or request
needs discussion
Only build docker image when build context changed compared to Pipelines
develop
branch
CI/CD
#556
opened Jul 2, 2024 by
DanielKotik
Delete caches after pushes to Pipelines
not critical
develop
, master
etc.
CI/CD
#545
opened Jun 11, 2024 by
DanielKotik
Align Python versions througout MALA
CI/CD
Pipelines
documentation
Improvements or additions to documentation
enhancement
New feature or request
Use tempfile to handle LAMMPS and QE temporary files
enhancement
New feature or request
external libs
not critical
GPU Graphs fail when used with batch size that is not divisor of data set size
bug
Something isn't working
not critical
Data scaling: row vs. column and naming of methods
documentation
Improvements or additions to documentation
Lazy loading with prefetching seems to hang in test suite
bug
Something isn't working
important
testing
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Updated in the last three days: updated:>2024-10-19.