.gitignore
LICENSE
README.md
mkdocs.yml
pyproject.toml
requirements_docs.txt
setup.py
.github/workflows/actions.yml
.github/workflows/mkdocs-deploy.yml
.github/workflows/publish.yml
docs/contact.md
docs/general.md
docs/howto_use.md
docs/index.md
docs/normalize.md
docs/assets/favicon.png
docs/assets/nomad-logo.png
docs/assets/program.png
docs/assets/simulation.png
docs/assets/simulation_base.png
docs/assets/simulation_composition.png
docs/model_method/model_method.md
docs/model_system/model_system.md
docs/outputs/outputs.md
docs/stylesheets/extra.css
scripts/generate_coverage_txt.sh
src/nomad_simulations/__init__.py
src/nomad_simulations.egg-info/PKG-INFO
src/nomad_simulations.egg-info/SOURCES.txt
src/nomad_simulations.egg-info/dependency_links.txt
src/nomad_simulations.egg-info/entry_points.txt
src/nomad_simulations.egg-info/requires.txt
src/nomad_simulations.egg-info/top_level.txt
src/nomad_simulations/schema_packages/__init__.py
src/nomad_simulations/schema_packages/atoms_state.py
src/nomad_simulations/schema_packages/general.py
src/nomad_simulations/schema_packages/model_method.py
src/nomad_simulations/schema_packages/model_system.py
src/nomad_simulations/schema_packages/numerical_settings.py
src/nomad_simulations/schema_packages/outputs.py
src/nomad_simulations/schema_packages/physical_property.py
src/nomad_simulations/schema_packages/variables.py
src/nomad_simulations/schema_packages/properties/__init__.py
src/nomad_simulations/schema_packages/properties/band_gap.py
src/nomad_simulations/schema_packages/properties/band_structure.py
src/nomad_simulations/schema_packages/properties/energies.py
src/nomad_simulations/schema_packages/properties/fermi_surface.py
src/nomad_simulations/schema_packages/properties/hopping_matrix.py
src/nomad_simulations/schema_packages/properties/permittivity.py
src/nomad_simulations/schema_packages/properties/spectral_profile.py
src/nomad_simulations/schema_packages/utils/__init__.py
src/nomad_simulations/schema_packages/utils/utils.py
tests/__init__.py
tests/conftest.py
tests/test_atoms_state.py
tests/test_band_gap.py
tests/test_band_structure.py
tests/test_energies.py
tests/test_fermi_surface.py
tests/test_general.py
tests/test_hopping_matrix.py
tests/test_model_method.py
tests/test_model_system.py
tests/test_numerical_settings.py
tests/test_outputs.py
tests/test_permittivity.py
tests/test_physical_properties.py
tests/test_spectral_profile.py
tests/test_utils.py
tests/test_variables.py