nomad-coe / nomad-schema-plugin-simulation-data / 8875478699

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Add ElectronicDOS and XASSpectra properties (#54)

* Added .pyenv to .gitignore

* Change inheritance of OrbitalsState and AtomsState to Entity

* Added FermiLevel, ChemicalPotential, ElectronicDensityOfStates, XASSpectra to outputs list

Deleted custom_physical_property from Outputs

* Added todos in PhysicalProperty

Added note to change iri and rank to m_def definitions

* Added properties/spectral_profile.py and properties/energies.py modules

Added SpectralProfile, DOSProfile, ElectronicDensityOfStates, XASSpectra in the spectral_profile.py module

* Added conftest generate_simulation, generate_model_system, generate_simulation_electronic_dos fixtures

Testing default iri, name, rank

Fix test_outputs property

 Added testing for spectral_profile classes and methods

* Improved functionalities with @ndaelman-hu comments.

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335 of 345 relevant lines covered (97.1%)

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