nomad-coe / nomad-schema-plugin-simulation-data

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• 52-add-electroniceigenvalues-physical-property
• 11-add-onsite_energy-for-orbitalsstate
• 14-plugin-distribution-as-pypi-package
• 17-modelsystem-should-contain-cell-and-not-atomic_cell
• 18-add-forcefield-to-modelmethod
• 19-separate-model_methodpy-into-numerical_settingspy-and-model_methodpy
• 26-add-post-hf-methods
• 27-add-outputs-base-class
• 31-add-bandgap-output
• 32-add-dos-output
• 34-add-dielectricfunction-properties
• 36-general-minor-fixes-after-meeting
• 4-create-documentation-on-data-schema
• 40-physicalproperty-definition
• 40-physicalproperty-definition-jmp
• 47-add-thermodynamics-output
• 49-add-step-and-time-to-outputs
• 60-fix-hoppingmatrix-with-new-schema
• 64-changing-name-of-package-and-fixing-imports
• 65-move-config-tolerances-to-utils
• 67-changing-grid_points-for-points-in-variables
• 69-kspace-definition
• 73-modelsystem-for-h5md
• 9-adding-unit-testing
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• fix_minor_things
• fix_setup
• hotfix_physicalproperty
• hotfix_rank
• quick_fix_ide

Build # 9347862591

Build Type

Pull #63

github

Committed by JosePizarro3

Commit Message

Implemented np.searchsorted instead of custom binary search in resolve_homo_lumo_eigenvalues

Pull Request Pull Request #63: Add ElectronicEigenvalues and ElectronicBandStructure properties

Run Details

139 of 140 new or added lines in 8 files covered. (99.29%)

898 of 910 relevant lines covered (98.68%)

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