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Pull requests: pyiron/pyiron_atomistics
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Add vasp_function() - use VASP job in a functional approach
#1473
opened Jun 30, 2024 by
jan-janssen
•
Draft
Add lammps_function() - use LAMMPS job in a functional approach
format_black
reformat the code using the black standard
#1472
opened Jun 30, 2024 by
jan-janssen
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Parse VASP-ML output
format_black
reformat the code using the black standard
#1463
opened Jun 21, 2024 by
jan-janssen
•
Draft
Bump numpy from 1.26.4 to 2.0.0
dependencies
Pull requests that update a dependency file
#1458
opened Jun 17, 2024 by
dependabot
bot
•
Draft
Fixes non parsing of incar/job metainformation from vasprun
format_black
reformat the code using the black standard
integration
Start the notebook integration tests for this PR
#1272
opened Dec 26, 2023 by
ligerzero-ai
•
Draft
vasp_6_4 ML parser - sphinx eigenvalues parser
stale
#1175
opened Sep 29, 2023 by
ahmedabdelkawy
•
Draft
Murnaghan: Round children names
bug
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enhancement
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integration
Start the notebook integration tests for this PR
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