LICENSE
README.md
pyproject.toml
setup.cfg
setup.py
src/aiidalab_qe/__init__.py
src/aiidalab_qe/__main__.py
src/aiidalab_qe/utils.py
src/aiidalab_qe/version.py
src/aiidalab_qe.egg-info/PKG-INFO
src/aiidalab_qe.egg-info/SOURCES.txt
src/aiidalab_qe.egg-info/dependency_links.txt
src/aiidalab_qe.egg-info/entry_points.txt
src/aiidalab_qe.egg-info/requires.txt
src/aiidalab_qe.egg-info/top_level.txt
src/aiidalab_qe/app/__init__.py
src/aiidalab_qe/app/main.py
src/aiidalab_qe/app/wizard_app.py
src/aiidalab_qe/app/wrapper.py
src/aiidalab_qe/app/configuration/__init__.py
src/aiidalab_qe/app/configuration/model.py
src/aiidalab_qe/app/configuration/advanced/__init__.py
src/aiidalab_qe/app/configuration/advanced/advanced.py
src/aiidalab_qe/app/configuration/advanced/model.py
src/aiidalab_qe/app/configuration/advanced/subsettings.py
src/aiidalab_qe/app/configuration/advanced/hubbard/__init__.py
src/aiidalab_qe/app/configuration/advanced/hubbard/hubbard.py
src/aiidalab_qe/app/configuration/advanced/hubbard/model.py
src/aiidalab_qe/app/configuration/advanced/magnetization/__init__.py
src/aiidalab_qe/app/configuration/advanced/magnetization/magnetization.py
src/aiidalab_qe/app/configuration/advanced/magnetization/model.py
src/aiidalab_qe/app/configuration/advanced/pseudos/__init__.py
src/aiidalab_qe/app/configuration/advanced/pseudos/model.py
src/aiidalab_qe/app/configuration/advanced/pseudos/pseudos.py
src/aiidalab_qe/app/configuration/advanced/smearing/__init__.py
src/aiidalab_qe/app/configuration/advanced/smearing/model.py
src/aiidalab_qe/app/configuration/advanced/smearing/smearing.py
src/aiidalab_qe/app/configuration/basic/__init__.py
src/aiidalab_qe/app/configuration/basic/basic.py
src/aiidalab_qe/app/configuration/basic/model.py
src/aiidalab_qe/app/parameters/__init__.py
src/aiidalab_qe/app/parameters/qeapp.yaml
src/aiidalab_qe/app/result/__init__.py
src/aiidalab_qe/app/result/model.py
src/aiidalab_qe/app/result/components/__init__.py
src/aiidalab_qe/app/result/components/status/__init__.py
src/aiidalab_qe/app/result/components/status/model.py
src/aiidalab_qe/app/result/components/status/status.py
src/aiidalab_qe/app/result/components/summary/__init__.py
src/aiidalab_qe/app/result/components/summary/download_data.py
src/aiidalab_qe/app/result/components/summary/model.py
src/aiidalab_qe/app/result/components/summary/outputs.py
src/aiidalab_qe/app/result/components/summary/schema.json
src/aiidalab_qe/app/result/components/summary/summary.py
src/aiidalab_qe/app/result/components/viewer/__init__.py
src/aiidalab_qe/app/result/components/viewer/model.py
src/aiidalab_qe/app/result/components/viewer/viewer.py
src/aiidalab_qe/app/result/components/viewer/structure/__init__.py
src/aiidalab_qe/app/result/components/viewer/structure/model.py
src/aiidalab_qe/app/result/components/viewer/structure/structure.py
src/aiidalab_qe/app/static/__init__.py
src/aiidalab_qe/app/static/images/__init__.py
src/aiidalab_qe/app/static/images/logo.png
src/aiidalab_qe/app/static/images/logo_dark.png
src/aiidalab_qe/app/static/styles/__init__.py
src/aiidalab_qe/app/static/styles/custom.css
src/aiidalab_qe/app/static/styles/infobox.css
src/aiidalab_qe/app/static/styles/results.css
src/aiidalab_qe/app/static/styles/status.css
src/aiidalab_qe/app/static/styles/structure.css
src/aiidalab_qe/app/static/styles/style.css
src/aiidalab_qe/app/static/styles/summary.css
src/aiidalab_qe/app/static/styles/variables.css
src/aiidalab_qe/app/static/templates/__init__.py
src/aiidalab_qe/app/static/templates/about.jinja
src/aiidalab_qe/app/static/templates/calculation_history_guide.jinja
src/aiidalab_qe/app/static/templates/guide.jinja
src/aiidalab_qe/app/static/templates/plugin_manager.jinja
src/aiidalab_qe/app/static/templates/workflow_failure.jinja
src/aiidalab_qe/app/static/templates/workflow_summary.jinja
src/aiidalab_qe/app/structure/__init__.py
src/aiidalab_qe/app/structure/model.py
src/aiidalab_qe/app/structure/examples/Au.cif
src/aiidalab_qe/app/structure/examples/Co.cif
src/aiidalab_qe/app/structure/examples/Diamond.cif
src/aiidalab_qe/app/structure/examples/GaAs.cif
src/aiidalab_qe/app/structure/examples/LiCoO2.cif
src/aiidalab_qe/app/structure/examples/Ni.cif
src/aiidalab_qe/app/structure/examples/Si.cif
src/aiidalab_qe/app/structure/examples/SiO2.cif
src/aiidalab_qe/app/structure/examples/__init__.py
src/aiidalab_qe/app/submission/__init__.py
src/aiidalab_qe/app/submission/model.py
src/aiidalab_qe/app/submission/global_settings/__init__.py
src/aiidalab_qe/app/submission/global_settings/model.py
src/aiidalab_qe/app/submission/global_settings/setting.py
src/aiidalab_qe/app/utils/__init__.py
src/aiidalab_qe/app/utils/calculation_history.py
src/aiidalab_qe/app/utils/plugin_manager.py
src/aiidalab_qe/common/__init__.py
src/aiidalab_qe/common/guide_manager.py
src/aiidalab_qe/common/infobox.py
src/aiidalab_qe/common/mixins.py
src/aiidalab_qe/common/mvc.py
src/aiidalab_qe/common/node_view.py
src/aiidalab_qe/common/panel.py
src/aiidalab_qe/common/setup_codes.py
src/aiidalab_qe/common/setup_pseudos.py
src/aiidalab_qe/common/time.py
src/aiidalab_qe/common/widgets.py
src/aiidalab_qe/common/wizard.py
src/aiidalab_qe/common/bands_pdos/__init__.py
src/aiidalab_qe/common/bands_pdos/bandpdosplotly.py
src/aiidalab_qe/common/bands_pdos/bandpdoswidget.py
src/aiidalab_qe/common/bands_pdos/model.py
src/aiidalab_qe/common/bands_pdos/utils.py
src/aiidalab_qe/common/code/__init__.py
src/aiidalab_qe/common/code/model.py
src/aiidalab_qe/common/process/__init__.py
src/aiidalab_qe/common/process/process.py
src/aiidalab_qe/common/process/state.py
src/aiidalab_qe/common/process/tree.py
src/aiidalab_qe/plugins/__init__.py
src/aiidalab_qe/plugins/bands/__init__.py
src/aiidalab_qe/plugins/bands/bands_workchain.py
src/aiidalab_qe/plugins/bands/model.py
src/aiidalab_qe/plugins/bands/resources.py
src/aiidalab_qe/plugins/bands/setting.py
src/aiidalab_qe/plugins/bands/workchain.py
src/aiidalab_qe/plugins/electronic_structure/__init__.py
src/aiidalab_qe/plugins/electronic_structure/result/__init__.py
src/aiidalab_qe/plugins/electronic_structure/result/model.py
src/aiidalab_qe/plugins/electronic_structure/result/result.py
src/aiidalab_qe/plugins/pdos/__init__.py
src/aiidalab_qe/plugins/pdos/model.py
src/aiidalab_qe/plugins/pdos/resources.py
src/aiidalab_qe/plugins/pdos/setting.py
src/aiidalab_qe/plugins/pdos/workchain.py
src/aiidalab_qe/setup/__init__.py
src/aiidalab_qe/setup/codes.py
src/aiidalab_qe/setup/pseudos.py
src/aiidalab_qe/workflows/__init__.py
tests/test_app.py
tests/test_calculation_history.py
tests/test_cli.py
tests/test_codes.py
tests/test_configure.py
tests/test_entry_point.py
tests/test_infobox.py
tests/test_panel.py
tests/test_plugin_manager.py
tests/test_plugins_bands.py
tests/test_plugins_electronic_structure.py
tests/test_plugins_pdos.py
tests/test_pseudo.py
tests/test_result.py
tests/test_status.py
tests/test_submit_qe_workchain.py
tests/test_wrapper.py