FAIRmat-NFDI / nomad-simulations

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• 240-disambiguate-crystal-symmetry-symbols-port
• add-bsdft
• add-generic-mass
• add-legend
• add-semi-empirical-methods
• add-sic
• add-workflow-docs
• archive_data_update
• auto-generate-docs
• basis-set-canonicalization
• change-pp-atomsstate-ref-direction
• determinant-fix
• develop
• dft-type
• distinguish-modelmethod-numerical-settings
• extend_forcefield_parameters_v2
• fix-basis-set-container
• fix-deploy-action
• fix-non-conv-lattices
• fix-orbital-localization
• fix-particle-cgbeadstate
• fix-workflow
• fix/issue-126-kmesh-normalization-order
• hdf5-datasets-for-bulky-numerics
• integrate-atom-parameters
• libxc-consistency
• local-coupled-cluster
• metadata-extractor
• migrate-tutorial
• mo-cube
• multiref-archive-labels
• multireference-qc
• nao
• nonlocal-correlation
• norm-migration
• norm-migration-patch
• oniom-methods
• orb-volume
• post-transfer-hygiene
• rdf
• refactor-explanation-docs
• refactor-explanation-docs-p186-integration
• remove-temp-tests
• rename-qc-methods-for-consistency
• replace_getattr_with_direct_access
• rm-eln-annotations
• tighten-atomsstate-definition
• typed-physical-constraints
• v0.6.0
• v0.7.0
• warnings_and_errors
• warnings_and_errors-JFR

Build # 26450995584

Build Type

Pull #385

github

Committed by EBB2675

Commit Message

add registry for BSElibrary, add cli

Pull Request Pull Request #385: Basis Set canonicalization

Coverage Stats

140 of 172 new or added lines in 6 files covered. (81.4%)

9301 of 10930 relevant lines covered (85.1%)

2.55 hits per line