Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Merge the develop branch into the master branch #330

Merged
merged 125 commits into from
Nov 21, 2024
Merged

Merge the develop branch into the master branch #330

merged 125 commits into from
Nov 21, 2024

Commits on Jul 25, 2024

  1. Initial cleanup of oxidation state data files 

    Added comment lines on dataset origins
    @aronwalsh
    aronwalsh committed Jul 25, 2024
    Configuration menu
    Copy the full SHA
    da611fb View commit details
    Browse the repository at this point in the history

  2. ICSD (2024) oxidation states 

    Populated from ICSD API
- raw count json
- raw oxidation state list
- filtered list with > 5 entries per oxidation state
    @aronwalsh
    aronwalsh committed Jul 25, 2024
    Configuration menu
    Copy the full SHA
    b3c544f View commit details
    Browse the repository at this point in the history

Commits on Jul 27, 2024

  1. Create oxidation_states_icsd24_common.txt 

    Add set that lists the oxidation state with the most results for each element
    @aronwalsh
    aronwalsh committed Jul 27, 2024
    Configuration menu
    Copy the full SHA
    fbd1be3 View commit details
    Browse the repository at this point in the history

Commits on Jul 28, 2024

  1. Update oxidation_states_icsd24_counts.json 

    Final list up to Lr
    @aronwalsh
    aronwalsh committed Jul 28, 2024
    Configuration menu
    Copy the full SHA
    ba132de View commit details
    Browse the repository at this point in the history

Commits on Aug 15, 2024

  1. Make the filtered 2024 icsd oxidation states available through data_l… 

    …oader
    Anthony Onwuli committed Aug 15, 2024
    Configuration menu
    Copy the full SHA
    0be9b0b View commit details
    Browse the repository at this point in the history

  2. Make oxidation_states_icsd24 available through the Element class

    Anthony Onwuli committed Aug 15, 2024
    Configuration menu
    Copy the full SHA
    e062c1c View commit details
    Browse the repository at this point in the history

  3. Replace cation mutation by distorter

    @aronwalsh
    aronwalsh committed Aug 15, 2024
    Configuration menu
    Copy the full SHA
    4cb8a50 View commit details
    Browse the repository at this point in the history

  4. Merge branch 'docs_updates' of https://github.com/WMD-group/SMACT int… 

    …o oxidationstates24
    Anthony Onwuli committed Aug 15, 2024
    Configuration menu
    Copy the full SHA
    09ebea0 View commit details
    Browse the repository at this point in the history

  5. created tutorials folder and moved SolarOxides.ipynb 

    and Checking_smact_validity_of_GNoME.ipynb
    @ryannduma
    ryannduma committed Aug 15, 2024
    Configuration menu
    Copy the full SHA
    02d66e6 View commit details
    Browse the repository at this point in the history

  6. Match Pan

    @aronwalsh
    aronwalsh committed Aug 15, 2024
    Configuration menu
    Copy the full SHA
    aeb5940 View commit details
    Browse the repository at this point in the history

  7. Merge branch 'docs_updates' of https://github.com/WMD-group/SMACT int… 

    …o docs_updates
    @aronwalsh
    aronwalsh committed Aug 15, 2024
    Configuration menu
    Copy the full SHA
    455459b View commit details
    Browse the repository at this point in the history

  8. Add book theme and update requirements

    Anthony Onwuli committed Aug 15, 2024
    Configuration menu
    Copy the full SHA
    f14e909 View commit details
    Browse the repository at this point in the history

  9. smact-change-ts

    @lits19
    lits19 authored Aug 15, 2024
    Configuration menu
    Copy the full SHA
    39485bb View commit details
    Browse the repository at this point in the history

  10. tweak utils

    @aronwalsh
    aronwalsh committed Aug 15, 2024
    Configuration menu
    Copy the full SHA
    e7fdf68 View commit details
    Browse the repository at this point in the history

  11. Create validity.ipynb

    @aronwalsh
    aronwalsh committed Aug 15, 2024
    Configuration menu
    Copy the full SHA
    5dc804f View commit details
    Browse the repository at this point in the history

  12. modified the markdown for the solar oxide tutorial

    @ryannduma
    ryannduma committed Aug 15, 2024
    Configuration menu
    Copy the full SHA
    9c1c7e0 View commit details
    Browse the repository at this point in the history

  13. Add files via upload

    @Panyalak
    Panyalak authored Aug 15, 2024
    Configuration menu
    Copy the full SHA
    2f1d6e1 View commit details
    Browse the repository at this point in the history

  14. Add files via upload

    @Panyalak
    Panyalak authored Aug 15, 2024
    Configuration menu
    Copy the full SHA
    4e8f8a1 View commit details
    Browse the repository at this point in the history

  15. Create filter.ipynb

    @aronwalsh
    aronwalsh committed Aug 15, 2024
    Configuration menu
    Copy the full SHA
    fa54412 View commit details
    Browse the repository at this point in the history

  16. Merge branch 'docs_updates' of https://github.com/WMD-group/SMACT int… 

    …o docs_updates
    @aronwalsh
    aronwalsh committed Aug 15, 2024
    Configuration menu
    Copy the full SHA
    0401e55 View commit details
    Browse the repository at this point in the history

  17. Update oxidation_states_examples.ipynb

    @Panyalak
    Panyalak authored Aug 15, 2024
    Configuration menu
    Copy the full SHA
    9c593f4 View commit details
    Browse the repository at this point in the history

  18. Delete examples/Oxidation_states/oxidation_states.ipynb

    @Panyalak
    Panyalak authored Aug 15, 2024
    Configuration menu
    Copy the full SHA
    ec4a6c3 View commit details
    Browse the repository at this point in the history

  19. small edits to the solar oxide tutorial markdown

    @ryannduma
    ryannduma committed Aug 15, 2024
    Configuration menu
    Copy the full SHA
    2c4379f View commit details
    Browse the repository at this point in the history

  20. adding notebook compatibility

    @keeeto
    keeeto committed Aug 15, 2024
    Configuration menu
    Copy the full SHA
    92822a9 View commit details
    Browse the repository at this point in the history

  21. updating docs

    @keeeto
    keeeto committed Aug 15, 2024
    Configuration menu
    Copy the full SHA
    54cf9e7 View commit details
    Browse the repository at this point in the history

  22. update docs

    @keeeto
    keeeto committed Aug 15, 2024
    Configuration menu
    Copy the full SHA
    30c2eed View commit details
    Browse the repository at this point in the history

  23. Add oxidation states utility functions

    Anthony Onwuli committed Aug 15, 2024
    Configuration menu
    Copy the full SHA
    1e668fc View commit details
    Browse the repository at this point in the history

  24. renaming the tutorials

    @ryannduma
    ryannduma committed Aug 15, 2024
    Configuration menu
    Copy the full SHA
    316a9c8 View commit details
    Browse the repository at this point in the history

  25. update crystal space tutorial

    @hspark1212
    hspark1212 committed Aug 15, 2024
    Configuration menu
    Copy the full SHA
    5f022a8 View commit details
    Browse the repository at this point in the history

  26. added docstrings to the validity of GNoMe tutorial

    @ryannduma
    ryannduma committed Aug 15, 2024
    Configuration menu
    Copy the full SHA
    8d6e447 View commit details
    Browse the repository at this point in the history

  27. exmaples

    @keeeto
    keeeto committed Aug 15, 2024
    Configuration menu
    Copy the full SHA
    4c1ed80 View commit details
    Browse the repository at this point in the history

  28. Merge branch 'docs_updates' of github.com:WMD-group/SMACT into docs_u… 

    …pdates
    @keeeto
    keeeto committed Aug 15, 2024
    Configuration menu
    Copy the full SHA
    4e76a6c View commit details
    Browse the repository at this point in the history

  29. Pan changes

    @aronwalsh
    aronwalsh committed Aug 15, 2024
    Configuration menu
    Copy the full SHA
    e160658 View commit details
    Browse the repository at this point in the history

  30. Merge branch 'docs_updates' of https://github.com/WMD-group/SMACT int… 

    …o docs_updates
    @aronwalsh
    aronwalsh committed Aug 15, 2024
    Configuration menu
    Copy the full SHA
    ac85da2 View commit details
    Browse the repository at this point in the history

  31. Add test files

    Anthony Onwuli committed Aug 15, 2024
    Configuration menu
    Copy the full SHA
    ec8120e View commit details
    Browse the repository at this point in the history

  32. Update ICSD24OxStatesFilter

    Anthony Onwuli committed Aug 15, 2024
    Configuration menu
    Copy the full SHA
    3875854 View commit details
    Browse the repository at this point in the history

  33. Add tests for utils/oxidation

    Anthony Onwuli committed Aug 15, 2024
    Configuration menu
    Copy the full SHA
    bf75145 View commit details
    Browse the repository at this point in the history

  34. Add html theme options (Repo link and launch buttons)

    Anthony Onwuli committed Aug 15, 2024
    Configuration menu
    Copy the full SHA
    3ae0fb3 View commit details
    Browse the repository at this point in the history

  35. Update readthedocs.yaml

    Anthony Onwuli committed Aug 15, 2024
    Configuration menu
    Copy the full SHA
    91e4a0c View commit details
    Browse the repository at this point in the history

  36. Update requirements files

    Anthony Onwuli committed Aug 15, 2024
    Configuration menu
    Copy the full SHA
    b392245 View commit details
    Browse the repository at this point in the history

  37. Run pre-commit

    Anthony Onwuli committed Aug 15, 2024
    Configuration menu
    Copy the full SHA
    0dd8bb1 View commit details
    Browse the repository at this point in the history

  38. Update readthedocs.yaml

    Anthony Onwuli committed Aug 15, 2024
    Configuration menu
    Copy the full SHA
    4f9b176 View commit details
    Browse the repository at this point in the history

  39. Example polish #1

    @aronwalsh
    aronwalsh committed Aug 15, 2024
    Configuration menu
    Copy the full SHA
    ab9ad8d View commit details
    Browse the repository at this point in the history

  40. Crystal space -> tutorials

    @aronwalsh
    aronwalsh committed Aug 15, 2024
    Configuration menu
    Copy the full SHA
    121247f View commit details
    Browse the repository at this point in the history

  41. Examples -> Examples & Tutorials 

    Initial update to README

Some links to specific features should be checked later before merging new docs
    @aronwalsh
    aronwalsh committed Aug 15, 2024
    Configuration menu
    Copy the full SHA
    16ac5d7 View commit details
    Browse the repository at this point in the history

  42. Update SMACT.png 

    v3 logo
    @aronwalsh
    aronwalsh committed Aug 15, 2024
    Configuration menu
    Copy the full SHA
    fa64f27 View commit details
    Browse the repository at this point in the history

Commits on Aug 16, 2024

  1. toc and more docs

    @keeeto
    keeeto committed Aug 16, 2024
    Configuration menu
    Copy the full SHA
    589e8f6 View commit details
    Browse the repository at this point in the history

  2. Merge branch 'docs_updates' of github.com:WMD-group/SMACT into docs_u… 

    …pdates
    @keeeto
    keeeto committed Aug 16, 2024
    Configuration menu
    Copy the full SHA
    59fef12 View commit details
    Browse the repository at this point in the history

  3. tutorials add to docs

    @keeeto
    keeeto committed Aug 16, 2024
    Configuration menu
    Copy the full SHA
    35253f4 View commit details
    Browse the repository at this point in the history

  4. remove other tutorials

    @keeeto
    keeeto committed Aug 16, 2024
    Configuration menu
    Copy the full SHA
    74cde3e View commit details
    Browse the repository at this point in the history

  5. remove other locations of examples

    @keeeto
    keeeto committed Aug 16, 2024
    Configuration menu
    Copy the full SHA
    f42e33e View commit details
    Browse the repository at this point in the history

  6. landing page

    @keeeto
    keeeto committed Aug 16, 2024
    Configuration menu
    Copy the full SHA
    515ce53 View commit details
    Browse the repository at this point in the history

  7. Notebook updates

    @aronwalsh
    aronwalsh committed Aug 16, 2024
    Configuration menu
    Copy the full SHA
    3df5b6b View commit details
    Browse the repository at this point in the history

Commits on Aug 19, 2024

  1. Ruff fixes

    Anthony Onwuli committed Aug 19, 2024
    Configuration menu
    Copy the full SHA
    5bbaad6 View commit details
    Browse the repository at this point in the history

  2. Merge branch 'AntObi-ruff' into docs_updates

    Anthony Onwuli committed Aug 19, 2024
    Configuration menu
    Copy the full SHA
    c240161 View commit details
    Browse the repository at this point in the history

  3. Merge branch 'docs_updates' of https://github.com/WMD-group/SMACT int… 

    …o docs_updates
    @AntObi
    AntObi committed Aug 19, 2024
    Configuration menu
    Copy the full SHA
    ffb334a View commit details
    Browse the repository at this point in the history

  4. Merge conflicts

    @AntObi
    AntObi committed Aug 19, 2024
    Configuration menu
    Copy the full SHA
    61a97e3 View commit details
    Browse the repository at this point in the history

  5. Add back shebang

    @AntObi
    AntObi committed Aug 19, 2024
    Configuration menu
    Copy the full SHA
    45dfe01 View commit details
    Browse the repository at this point in the history

  6. Add pre-commit hook to pre-commit config

    @AntObi
    AntObi committed Aug 19, 2024
    Configuration menu
    Copy the full SHA
    0bb4fda View commit details
    Browse the repository at this point in the history

  7. Run pre-commit-hooks

    @AntObi
    AntObi committed Aug 19, 2024
    Configuration menu
    Copy the full SHA
    a0a4cac View commit details
    Browse the repository at this point in the history

  8. Add markdownlint and prettier to pre-commit-config

    @AntObi
    AntObi committed Aug 19, 2024
    Configuration menu
    Copy the full SHA
    35e03f1 View commit details
    Browse the repository at this point in the history

  9. Run pre-commit with updated config file

    @AntObi
    AntObi committed Aug 19, 2024
    Configuration menu
    Copy the full SHA
    d671dc2 View commit details
    Browse the repository at this point in the history

Commits on Aug 20, 2024

  1. Add nbstripout to pre-commit

    @AntObi
    AntObi committed Aug 20, 2024
    Configuration menu
    Copy the full SHA
    d90c625 View commit details
    Browse the repository at this point in the history

  2. Run nbstripout

    @AntObi
    AntObi committed Aug 20, 2024
    Configuration menu
    Copy the full SHA
    17d09ab View commit details
    Browse the repository at this point in the history

  3. Add codespell to pre-commit

    @AntObi
    AntObi committed Aug 20, 2024
    Configuration menu
    Copy the full SHA
    fcf1043 View commit details
    Browse the repository at this point in the history

  4. Fix typos

    @AntObi
    AntObi committed Aug 20, 2024
    Configuration menu
    Copy the full SHA
    e52c689 View commit details
    Browse the repository at this point in the history

  5. Add pyright to pre-commit

    @AntObi
    AntObi committed Aug 20, 2024
    Configuration menu
    Copy the full SHA
    82eff1e View commit details
    Browse the repository at this point in the history

  6. Fix errors identified by pyright

    @AntObi
    AntObi committed Aug 20, 2024
    Configuration menu
    Copy the full SHA
    c47ff74 View commit details
    Browse the repository at this point in the history

  7. Add blacken-docs to pre-commit

    @AntObi
    AntObi committed Aug 20, 2024
    Configuration menu
    Copy the full SHA
    c616b61 View commit details
    Browse the repository at this point in the history

  8. Add metadata into pyproject.toml

    @AntObi
    AntObi committed Aug 20, 2024
    Configuration menu
    Copy the full SHA
    f3eaf07 View commit details
    Browse the repository at this point in the history

  9. Add keywords to pyproject.toml

    @AntObi
    AntObi committed Aug 20, 2024
    Configuration menu
    Copy the full SHA
    b4c8c15 View commit details
    Browse the repository at this point in the history

  10. Add dev and docs requirements to pyproject.toml

    @AntObi
    AntObi committed Aug 20, 2024
    Configuration menu
    Copy the full SHA
    c1af924 View commit details
    Browse the repository at this point in the history

  11. Restrict latest pymatgen version due to windows compatability

    @AntObi
    AntObi committed Aug 20, 2024
    Configuration menu
    Copy the full SHA
    d65e640 View commit details
    Browse the repository at this point in the history

  12. Update requirements.txt

    @AntObi
    AntObi committed Aug 20, 2024
    Configuration menu
    Copy the full SHA
    217bdf1 View commit details
    Browse the repository at this point in the history

  13. Update dev requirements file

    @AntObi
    AntObi committed Aug 20, 2024
    Configuration menu
    Copy the full SHA
    fde8fe5 View commit details
    Browse the repository at this point in the history

Commits on Aug 21, 2024

  1. Run pre-commit

    @AntObi
    AntObi committed Aug 21, 2024
    Configuration menu
    Copy the full SHA
    ef94fcb View commit details
    Browse the repository at this point in the history

  2. Update filter

    @AntObi
    AntObi committed Aug 21, 2024
    Configuration menu
    Copy the full SHA
    88e83ac View commit details
    Browse the repository at this point in the history

  3. Add method for creating species lists

    @AntObi
    AntObi committed Aug 21, 2024
    Configuration menu
    Copy the full SHA
    e580d58 View commit details
    Browse the repository at this point in the history

  4. Add option to format species as 'X1+' or 'X+'

    @AntObi
    AntObi committed Aug 21, 2024
    Configuration menu
    Copy the full SHA
    c1642ab View commit details
    Browse the repository at this point in the history

  5. Add test for oxidation filter

    @AntObi
    AntObi committed Aug 21, 2024
    Configuration menu
    Copy the full SHA
    49e7568 View commit details
    Browse the repository at this point in the history

Commits on Aug 22, 2024

  1. google colab

    @Panyalak
    Panyalak authored Aug 22, 2024
    Configuration menu
    Copy the full SHA
    c7bdf4b View commit details
    Browse the repository at this point in the history

  2. google colab

    @Panyalak
    Panyalak authored Aug 22, 2024
    Configuration menu
    Copy the full SHA
    3d34a90 View commit details
    Browse the repository at this point in the history

  3. google colab

    @Panyalak
    Panyalak authored Aug 22, 2024
    Configuration menu
    Copy the full SHA
    090159d View commit details
    Browse the repository at this point in the history

  4. google colab

    @Panyalak
    Panyalak authored Aug 22, 2024
    Configuration menu
    Copy the full SHA
    9f5f9cf View commit details
    Browse the repository at this point in the history

  5. google colab

    @Panyalak
    Panyalak authored Aug 22, 2024
    Configuration menu
    Copy the full SHA
    2d7a189 View commit details
    Browse the repository at this point in the history

  6. google colab

    @Panyalak
    Panyalak authored Aug 22, 2024
    Configuration menu
    Copy the full SHA
    5675d63 View commit details
    Browse the repository at this point in the history

  7. Add __init__.py to utils

    @AntObi
    AntObi committed Aug 22, 2024
    Configuration menu
    Copy the full SHA
    791d6e1 View commit details
    Browse the repository at this point in the history

  8. Add utils as a package

    @AntObi
    AntObi committed Aug 22, 2024
    Configuration menu
    Copy the full SHA
    4da13cf View commit details
    Browse the repository at this point in the history

  9. Run pre-commit

    @AntObi
    AntObi committed Aug 22, 2024
    Configuration menu
    Copy the full SHA
    f7e80f0 View commit details
    Browse the repository at this point in the history

Commits on Aug 24, 2024

  1. Fixed ICSD24 List 

    Regenerated ICSD24 dataset on oxidation states.

API had returned 0 values for some species, whilst the web version showed results. Overcome by restarting the session for each search.

"oxidation_states_icsd24_filtered" is recommended as the default
    @aronwalsh
    aronwalsh committed Aug 24, 2024
    Configuration menu
    Copy the full SHA
    41d7bbb View commit details
    Browse the repository at this point in the history

Commits on Aug 30, 2024

  1. Add function for getting a dataframe of species occurrences

    @AntObi
    AntObi committed Aug 30, 2024
    Configuration menu
    Copy the full SHA
    13e6eb9 View commit details
    Browse the repository at this point in the history

  2. Update tests and add test for getting occurences

    @AntObi
    AntObi committed Aug 30, 2024
    Configuration menu
    Copy the full SHA
    b8982be View commit details
    Browse the repository at this point in the history

  3. Update test files

    @AntObi
    AntObi committed Aug 30, 2024
    Configuration menu
    Copy the full SHA
    9125edb View commit details
    Browse the repository at this point in the history

  4. Merge branch 'develop' of https://github.com/WMD-group/SMACT into doc… 

    …s_updates
    @AntObi
    AntObi committed Aug 30, 2024
    Configuration menu
    Copy the full SHA
    8a80bbb View commit details
    Browse the repository at this point in the history

  5. Pre-commit fixes

    @AntObi
    AntObi committed Aug 30, 2024
    Configuration menu
    Copy the full SHA
    2369591 View commit details
    Browse the repository at this point in the history

Commits on Aug 31, 2024

  1. Remove vec_example.py

    @AntObi
    AntObi committed Aug 31, 2024
    Configuration menu
    Copy the full SHA
    ce421ed View commit details
    Browse the repository at this point in the history

  2. Add VEC example notebook

    @AntObi
    AntObi committed Aug 31, 2024
    Configuration menu
    Copy the full SHA
    fe74f4f View commit details
    Browse the repository at this point in the history

  3. Update rst

    @AntObi
    AntObi committed Aug 31, 2024
    Configuration menu
    Copy the full SHA
    cb5ead3 View commit details
    Browse the repository at this point in the history

  4. Update documentation

    @AntObi
    AntObi committed Aug 31, 2024
    Configuration menu
    Copy the full SHA
    b753b8c View commit details
    Browse the repository at this point in the history

  5. Update conf.py

    @AntObi
    AntObi committed Aug 31, 2024
    Configuration menu
    Copy the full SHA
    0c21a6c View commit details
    Browse the repository at this point in the history

  6. Update conf.py to render Latex in notebooks

    @AntObi
    AntObi committed Aug 31, 2024
    Configuration menu
    Copy the full SHA
    fe8d565 View commit details
    Browse the repository at this point in the history

  7. Update docs/introduction.rst 

    Co-authored-by: coderabbitai[bot] <136622811+coderabbitai[bot]@users.noreply.github.com>
    @AntObi @coderabbitai
    AntObi and coderabbitai[bot] authored Aug 31, 2024
    Configuration menu
    Copy the full SHA
    e959684 View commit details
    Browse the repository at this point in the history

  8. Fix link

    @AntObi
    AntObi committed Aug 31, 2024
    Configuration menu
    Copy the full SHA
    f81af16 View commit details
    Browse the repository at this point in the history

  9. Add comments for clarity

    @AntObi
    AntObi committed Aug 31, 2024
    Configuration menu
    Copy the full SHA
    afcbff6 View commit details
    Browse the repository at this point in the history

Commits on Sep 1, 2024

  1. Merge branch 'docs_updates' of https://github.com/WMD-group/SMACT int… 

    …o docs_updates
    @AntObi
    AntObi committed Sep 1, 2024
    Configuration menu
    Copy the full SHA
    44ec28d View commit details
    Browse the repository at this point in the history

Commits on Sep 2, 2024

  1. Move crystal space utilities into crystal_space folder

    @AntObi
    AntObi committed Sep 2, 2024
    Configuration menu
    Copy the full SHA
    2305f2f View commit details
    Browse the repository at this point in the history

  2. Update imports

    @AntObi
    AntObi committed Sep 2, 2024
    Configuration menu
    Copy the full SHA
    7e4c1d7 View commit details
    Browse the repository at this point in the history

  3. Add __init__.py in crystal_space

    @AntObi
    AntObi committed Sep 2, 2024
    Configuration menu
    Copy the full SHA
    af5c9a8 View commit details
    Browse the repository at this point in the history

  4. Ruff fix

    @AntObi
    AntObi committed Sep 2, 2024
    Configuration menu
    Copy the full SHA
    7d96a15 View commit details
    Browse the repository at this point in the history

Commits on Sep 3, 2024

  1. Add test for convert_formulas

    @AntObi
    AntObi committed Sep 3, 2024
    Configuration menu
    Copy the full SHA
    a382cfd View commit details
    Browse the repository at this point in the history

  2. Add optional dependencies

    @AntObi
    AntObi committed Sep 3, 2024
    Configuration menu
    Copy the full SHA
    beb2d3b View commit details
    Browse the repository at this point in the history

  3. Add docstring

    @AntObi
    AntObi committed Sep 3, 2024
    Configuration menu
    Copy the full SHA
    5167778 View commit details
    Browse the repository at this point in the history

Commits on Nov 19, 2024

  1. Merge pull request #309 from WMD-group/docs_updates 

    [WIP] Documentation overhaul
    @AntObi
    AntObi authored Nov 19, 2024
    Configuration menu
    Copy the full SHA
    1636ad7 View commit details
    Browse the repository at this point in the history

  2. Merge branch 'develop' into oxidationstates24

    @AntObi
    AntObi authored Nov 19, 2024
    Configuration menu
    Copy the full SHA
    99acd4e View commit details
    Browse the repository at this point in the history

Commits on Nov 20, 2024

  1. Run pre-commit

    @AntObi
    AntObi committed Nov 20, 2024
    Configuration menu
    Copy the full SHA
    3c73285 View commit details
    Browse the repository at this point in the history

  2. Merge pull request #329 from WMD-group/oxidationstates24 

    Oxidation States 24
    @AntObi
    AntObi authored Nov 20, 2024
    Configuration menu
    Copy the full SHA
    51d78b0 View commit details
    Browse the repository at this point in the history

  3. MERGE

    @AntObi
    AntObi committed Nov 20, 2024
    Configuration menu
    Copy the full SHA
    57b88d9 View commit details
    Browse the repository at this point in the history

  4. Merge branch 'develop' of https://github.com/WMD-group/SMACT into dev… 

    …elop
    @AntObi
    AntObi committed Nov 20, 2024
    Configuration menu
    Copy the full SHA
    476f8be View commit details
    Browse the repository at this point in the history

  5. Merge branch 'master' into develop

    @AntObi
    AntObi authored Nov 20, 2024
    Configuration menu
    Copy the full SHA
    13640fa View commit details
    Browse the repository at this point in the history

  6. Run pre-commit

    @AntObi
    AntObi committed Nov 20, 2024
    Configuration menu
    Copy the full SHA
    db9d332 View commit details
    Browse the repository at this point in the history

  7. Merge branch 'develop' of https://github.com/WMD-group/SMACT into dev… 

    …elop
    @AntObi
    AntObi committed Nov 20, 2024
    Configuration menu
    Copy the full SHA
    7c54244 View commit details
    Browse the repository at this point in the history

  8. Run pre-commit

    @AntObi
    AntObi committed Nov 20, 2024
    Configuration menu
    Copy the full SHA
    bef9c5f View commit details
    Browse the repository at this point in the history

Commits on Nov 21, 2024

  1. Fix misspelling in pyproject

    @AntObi
    AntObi committed Nov 21, 2024
    Configuration menu
    Copy the full SHA
    9361567 View commit details
    Browse the repository at this point in the history

  2. Add test for downloading from mp api

    @AntObi
    AntObi committed Nov 21, 2024
    Configuration menu
    Copy the full SHA
    534544b View commit details
    Browse the repository at this point in the history

  3. Add tests for crystal space composition generation

    @AntObi
    AntObi committed Nov 21, 2024
    Configuration menu
    Copy the full SHA
    a998ced View commit details
    Browse the repository at this point in the history