nomad-coe / nomad-simulations

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• v0.1.1
• 100-different-structure-classes
• 100-moving-simulation-workflow-definitions-to-this-repo
• 100-trying-restructured-workflows
• 101-complete-basis-set-migration
• 106-allowing-311-python-version
• 110-using-hdf5dataset-for-greens-functions-properties
• 113-add-force-field-schema
• 115-issues-with-dft-xc-extraction
• 126-minor-fixes
• 130-atom-centered-basis-set
• 131-add-mkdocstrings-to-docu
• 136-add-some-methods-for-the-cell
• 138-define-n_atoms_per_unit_cell-for-tb-model-method
• 143-physicalproperty-rank-checks-broken
• 143-physicalproperty-rank-checks-broken-2
• 28-add-md-relevant-outputs
• 4-documentation-modelmethod-numericalsettings
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• 4-documentation-outputs-physicalproperty
• 47-add-thermodynamics-output
• 55-add-electronicgreensfunction-and-electronicselfenergy-properties
• 73-modelsystem-for-h5md
• 86-implement-hdf5datasets-for-potentially-large-quantities
• 9-add-unit-testing
• 92-further-abstraction-in-modelmethod
• 94-fix-readme
• 98-adding-isort-for-the-formatting
• JFRudzinski-patch-1
• adapting-new-entry-points-structure
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• cg-particle-support
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• coupled_cluster
• develop
• extend_equalities
• fix-bond-list
• fix_equal_operator_in_cell
• fix_pipeline
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Build # 11034216244

Build Type

push

github

Committed by web-flow

Commit Message

126 minor fixes (#127)

* Fix warning spectral_profile

Fix README

Move testing files to subfolders to mimic src structure

* Deleted copyright notice at the beginning of each file

* Changed __eq__ (and __ne__) for function is_equal_cell

* Fix conftest imports

Run Details

6 of 6 new or added lines in 2 files covered. (100.0%)

2027 of 2524 relevant lines covered (80.31%)

0.8 hits per line