nomad-coe / nomad-simulations / 19974542702

Builds Branch Commit Type Ran Committer Via Coverage
19974542702 remove-empty-normalize-functions ruff format Pull #293 JFRudzinski github
82.24
19966999548 develop migrate force calculations (#292) * migrate force calculations * ruff * Remove empty normalize() from ForceCalculations and update tests * ruff push web-flow github
82.16
19966932817 289-migrate-forcecalculations ruff Pull #292 JFRudzinski github
82.16
19966888150 289-migrate-forcecalculations Remove empty normalize() from ForceCalculations and update tests Pull #292 JFRudzinski github
82.16
19966855616 remove-empty-normalize-functions Apply formatting changes to basis_set.py Remove trailing whitespace from docstrings. push JFRudzinski github
82.24
19965179927 add_pseudo_potential Apply ruff Pull #288 ndaelman-hu github
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19965052744 add_pseudo_potential Clean pydocs structure Pull #288 ndaelman-hu github
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19944100179 289-migrate-forcecalculations ruff Pull #292 JFRudzinski github
82.2
19943657508 289-migrate-forcecalculations migrate force calculations push JFRudzinski github
82.2
19942604733 289-migrate-forcecalculations Guard ModelSystem.normalize against numpy array inputs (#284) * Expand ModelSystem normalizer check to handle numpy arrays * variable renamed, test added * Added checks for PBC correctness push web-flow github
82.16
19897746880 add_pseudo_potential Update src/nomad_simulations/schema_packages/numerical_settings.py reviewer: clarify language for quantum numbers Co-authored-by: Esma B. Boydas <80156958+EBB2675@users.noreply.github.com> Pull #288 web-flow github
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19897691383 add_pseudo_potential Update src/nomad_simulations/schema_packages/numerical_settings.py reviewer: clarify how NC PP are represented Co-authored-by: Esma B. Boydas <80156958+EBB2675@users.noreply.github.com> Pull #288 web-flow github
82.19
19895422281 add_pseudo_potential Apply ruff formatting push ndaelman-hu github
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19854210415 develop Guard ModelSystem.normalize against numpy array inputs (#284) * Expand ModelSystem normalizer check to handle numpy arrays * variable renamed, test added * Added checks for PBC correctness push web-flow github
82.16
19821379694 patch_model_system_normalizer Added checks for PBC correctness Pull #284 Bernadette-Mohr github
82.16