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site_name: atomref
site_url: https://delonecommons.github.io/atomref/
repo_url: https://github.com/DeloneCommons/atomref
repo_name: DeloneCommons/atomref
theme:
name: material
plugins:
- search
- mkdocs-jupyter:
execute: false
allow_errors: false
include_source: true
cache: false
custom_mathjax_url: https://cdnjs.cloudflare.com/ajax/libs/mathjax/2.7.9/MathJax.js?config=TeX-AMS_CHTML-full,Safe
- mkdocstrings:
handlers:
python:
paths: [src]
options:
docstring_style: google
show_root_heading: true
show_source: false
show_signature: true
separate_signature: true
show_signature_annotations: true
signature_crossrefs: true
merge_init_into_class: true
annotations_path: brief
show_docstring_parameters: true
show_docstring_returns: true
show_docstring_raises: true
show_docstring_attributes: true
show_docstring_examples: true
docstring_options:
returns_multiple_items: false
filters:
- "!^_[^_]"
- "!^__post_init__$"
nav:
- Home: index.md
- Guide:
- Install: guide/install.md
- Quickstart: guide/quickstart.md
- Policies: guide/policies.md
- Custom sets: guide/custom_sets.md
- Proatomic density: guide/proatomic_density.md
- Non-goals: guide/non_goals.md
- Datasets:
- Overview: datasets/index.md
- Covalent radius: datasets/covalent_radius.md
- van der Waals radius: datasets/van_der_waals_radius.md
- Atomic radius: datasets/atomic_radius.md
- X–H bond length: datasets/xh_bond_length.md
- Notebooks:
- Overview: guide/notebooks.md
- Quickstart notebook: notebooks/01-quickstart.ipynb
- Policies and assessment notebook: notebooks/02-policies-and-assessment.ipynb
- Custom sets and discovery notebook: notebooks/03-custom-sets-and-discovery.ipynb
- IAS method-selection study: notebooks/04-ias-method-selection-study.ipynb
- Proatomic density and IAS: notebooks/05-proatomic-density-and-ias.ipynb
- Development:
- Architecture: dev/architecture.md
- Data curation: dev/data_curation.md
- IAS method selection: dev/ias_method_selection.md
- API:
- Overview: api/index.md
- atomref: api/atomref.md
- atomref.elements: api/elements.md
- atomref.errors: api/errors.md
- atomref.registry: api/registry.md
- atomref.transfer: api/transfer.md
- atomref.policy: api/policy.md
- atomref.proatoms: api/proatoms.md
- atomref.radii: api/radii.md
- atomref.xh: api/xh.md