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HandyMan: Add tool to use less cores if no electronic convergence is achieved
enhancement
New feature or request
#1062
opened May 22, 2024 by
pmrv
Save pickle protocol together with pickled data
bug
Something isn't working
enhancement
New feature or request
.tinybase
#791
opened Jul 24, 2023 by
pmrv
ShellTask as a template for Shell Nodes
.tinybase
.workflow
Pertaining to the workflow submodule
#789
opened Jul 24, 2023 by
pmrv
Unpin scikit-image
dependencies
Pull requests that update a dependency file
#653
opened May 1, 2023 by
liamhuber
TrainingContainer should keep track parameters used to generate stored quantities
enhancement
New feature or request
#550
opened Dec 21, 2022 by
pmrv
MEAMFit: Should implement PotentialFit
enhancement
New feature or request
good first issue
Good for newcomers
help wanted
Extra attention is needed
#495
opened Sep 12, 2022 by
pmrv
MLIP: TrainingContainer with no stresses defined potentially still broken
bug
Something isn't working
#450
opened Jul 8, 2022 by
pmrv
TrainingContainer doesn't save neighbor information correctly when using input parameters
bug
Something isn't working
#421
opened Jun 2, 2022 by
pmrv
Where to put Example notebooks that should not be part of the CI?
documentation
Improvements or additions to documentation
question
Further information is requested
#419
opened Jun 1, 2022 by
pmrv
ProtocolQMMM job takes a different POTCAR than ref job's POTCAR
#52
opened Jan 31, 2021 by
hari-ushankar
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