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repo_url: https://github.com/Quantum-Accelerators/quacc/ site_author: Andrew S. Rosen site_description: >- Quacc is a flexible and extensible platform for high-throughput computational materials science and quantum chemistry. site_name: quacc site_url: https://quantum-accelerators.github.io/quacc/ nav: - Home: index.md - Installation Guide 🔧: - install/install.md - install/codes.md - install/wflow_engines.md - User Guide 🧠: - Recipes: - user/recipes/recipes_intro.md - user/recipes/workflows.md - user/recipes/recipes_list.md - Settings Management: - user/settings/settings.md - user/settings/file_management.md - user/settings/settings_list.md - Workflow Basics: - user/basics/wflow_overview.md - user/basics/wflow_decorators.md - user/basics/wflow_syntax.md - Using a Workflow Engine: - user/wflow_engine/wflow_engines1.md - user/wflow_engine/wflow_engines2.md - user/wflow_engine/executors.md - Using a Database: - user/db/context.md - user/db/basics.md - Miscellaneous: - user/advanced/file_transfers.md - Code Documentation 📖: reference/ - Developer Guide 🤝: - dev/contributing.md - dev/docs.md - Writing New Recipes: - dev/recipes/jobs.md - dev/recipes/flows.md - For Maintainers 🚧: - maintainers/internal.md - About 📜: - about/faq.md - about/contributors.md - about/changelog.md - about/conduct.md - about/license.md theme: favicon: images/quacc_favicon.png features: - content.action.edit - content.code.copy - content.code.select - content.code.annotate - content.tabs.link - content.tooltips - navigation.footer - navigation.path - navigation.tracking - navigation.sections - navigation.top - search.highlight - search.suggest - search.share - header.autohide - toc.follow logo: images/quacc_logo_wide.png name: material palette: primary: orange scheme: slate markdown_extensions: - abbr - admonition - attr_list - def_list - footnotes - md_in_html - toc: permalink: true - pymdownx.arithmatex: generic: true - pymdownx.betterem: smart_enable: all - pymdownx.caret - pymdownx.details - pymdownx.highlight: anchor_linenums: true line_spans: __span pygments_lang_class: true - pymdownx.inlinehilite - pymdownx.keys - pymdownx.magiclink - pymdownx.mark - pymdownx.snippets - pymdownx.smartsymbols - pymdownx.superfences: custom_fences: - class: mermaid format: !!python/name:pymdownx.superfences.fence_code_format "" name: mermaid - pymdownx.tabbed: alternate_style: true - pymdownx.tasklist: custom_checkbox: true - pymdownx.tilde plugins: - search: separator: '[\s\-,:!=\[\]()"`/]+|\.(?!\d)|&[lg]t;|(?!\b)(?=[A-Z][a-z])' - autorefs - social - offline - mkdocstrings: default_handler: python handlers: python: import: - https://docs.python.org/3/objects.inv - https://wiki.fysik.dtu.dk/ase/objects.inv - https://pymatgen.org/objects.inv - https://materialsproject.github.io/pymatgen-analysis-defects/objects.inv - https://materialsproject.github.io/maggma/objects.inv - https://materialsproject.github.io/emmet/objects.inv - https://materialsproject.github.io/jobflow/objects.inv - https://numpy.org/doc/stable/objects.inv - https://docs.pydantic.dev/latest/objects.inv - https://phonopy.github.io/phonopy/objects.inv options: docstring_style: numpy docstring_section_style: list separate_signature: true merge_init_into_class: true docstring_options: ignore_init_summary: true show_signature_annotations: true signature_crossrefs: true show_if_no_docstring: true - gen-files: scripts: - docs/gen_ref_pages.py - literate-nav: nav_file: SUMMARY.md edit_uri: blob/main/docs/ extra: social: - icon: fontawesome/brands/github link: https://github.com/Quantum-Accelerators/
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