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[WIP] Documentation overhaul#309

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AntObi merged 92 commits intodevelopWMD-group/SMACT:developfrom docs_updatesWMD-group/SMACT:docs_updatesCopy head branch name to clipboardNov 19, 2024

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Commits on Aug 15, 2024

• Replace cation mutation by distorter

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• created tutorials folder and moved SolarOxides.ipynb

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• Match Pan

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• Merge branch 'docs_updates' of https://github.com/WMD-group/SMACT into docs_updates

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• Add book theme and update requirements

  

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• smact-change-ts

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• tweak utils

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• Create validity.ipynb

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• modified the markdown for the solar oxide tutorial

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• Add files via upload

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• Add files via upload

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• Create filter.ipynb

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• Merge branch 'docs_updates' of https://github.com/WMD-group/SMACT into docs_updates

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• Update oxidation_states_examples.ipynb

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• Delete examples/Oxidation_states/oxidation_states.ipynb

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• small edits to the solar oxide tutorial markdown

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• adding notebook compatibility

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• updating docs

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• update docs

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• renaming the tutorials

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• update crystal space tutorial

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• added docstrings to the validity of GNoMe tutorial

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• exmaples

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• Merge branch 'docs_updates' of github.com:WMD-group/SMACT into docs_updates

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• Pan changes

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• Merge branch 'docs_updates' of https://github.com/WMD-group/SMACT into docs_updates

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• Add html theme options (Repo link and launch buttons)

  

  Anthony Onwuli

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• Update readthedocs.yaml

  

  Anthony Onwuli

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• Update requirements files

  

  Anthony Onwuli

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• Run pre-commit

  

  Anthony Onwuli

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• Update readthedocs.yaml

  

  Anthony Onwuli

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• Example polish #1

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• Crystal space -> tutorials

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• Examples -> Examples & Tutorials

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• Update SMACT.png

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Commits on Aug 16, 2024

• toc and more docs

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• Merge branch 'docs_updates' of github.com:WMD-group/SMACT into docs_updates

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• tutorials add to docs

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• remove other tutorials

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• remove other locations of examples

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• landing page

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• Notebook updates

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Commits on Aug 19, 2024

• Ruff fixes

  

  Anthony Onwuli

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• Merge branch 'AntObi-ruff' into docs_updates

  

  Anthony Onwuli

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• Merge branch 'docs_updates' of https://github.com/WMD-group/SMACT into docs_updates

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• Merge conflicts

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• Add back shebang

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• Add pre-commit hook to pre-commit config

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• Run pre-commit-hooks

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• Add markdownlint and prettier to pre-commit-config

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• Run pre-commit with updated config file

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Commits on Aug 20, 2024

• Add nbstripout to pre-commit

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• Run nbstripout

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• Add codespell to pre-commit

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• Fix typos

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• Add pyright to pre-commit

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• Fix errors identified by pyright

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• Add blacken-docs to pre-commit

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• Add metadata into pyproject.toml

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• Add keywords to pyproject.toml

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• Add dev and docs requirements to pyproject.toml

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• Restrict latest pymatgen version due to windows compatability

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• Update requirements.txt

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• Update dev requirements file

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Commits on Aug 22, 2024

• google colab

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• Add __init__.py to utils

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• Add utils as a package

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• Run pre-commit

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Commits on Aug 30, 2024

• Merge branch 'develop' of https://github.com/WMD-group/SMACT into docs_updates

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• Pre-commit fixes

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Commits on Aug 31, 2024

• Remove vec_example.py

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• Add VEC example notebook

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• Update rst

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• Update documentation

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• Update conf.py

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• Update conf.py to render Latex in notebooks

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• Update docs/introduction.rst

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• Fix link

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• Add comments for clarity

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Commits on Sep 1, 2024

• Merge branch 'docs_updates' of https://github.com/WMD-group/SMACT into docs_updates

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Commits on Sep 2, 2024

• Move crystal space utilities into crystal_space folder

  AntObi

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• Update imports

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• Add __init__.py in crystal_space

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• Ruff fix

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Commits on Sep 3, 2024

• Add test for convert_formulas

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• Add optional dependencies

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• Add docstring

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