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Add F* diagram generator to pymatgen #3277

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Add F* diagram generator to pymatgen #3277

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Commits on Jul 3, 2023

  1. reimplemented fstar diagram

    @jonathanjdenney
    jonathanjdenney committed Jul 3, 2023
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Commits on Aug 24, 2023

  1. upstream/master

    @jonathanjdenney
    jonathanjdenney committed Aug 24, 2023
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Commits on Aug 28, 2023

  1. update fstar

    @jonathanjdenney
    jonathanjdenney committed Aug 28, 2023
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  2. Merge remote-tracking branch 'upstream/master' into fstar

    @jonathanjdenney
    jonathanjdenney committed Aug 28, 2023
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  3. pre-commit auto-fixes

    @pre-commit-ci
    pre-commit-ci[bot] committed Aug 28, 2023
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  4. ruff fixes

    @jonathanjdenney
    jonathanjdenney committed Aug 28, 2023
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  5. Merge branch 'fstar' of https://github.com/jonathanjdenney/pymatgen i… 

    …nto fstar
    @jonathanjdenney
    jonathanjdenney committed Aug 28, 2023
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Commits on Sep 1, 2023

  1. make edits 

    compressed the cifs into fstar.tar.gz. Implemented type hints. reworked to simplify and run better.
    @jonathanjdenney
    jonathanjdenney committed Sep 1, 2023
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  2. Merge remote-tracking branch 'upstream/master' into fstar

    @jonathanjdenney
    jonathanjdenney committed Sep 1, 2023
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  3. pre-commit auto-fixes

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    pre-commit-ci[bot] committed Sep 1, 2023
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  4. Update fstar.py 

    remove else after continue
    @jonathanjdenney
    jonathanjdenney committed Sep 1, 2023
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  5. Update fstar.py

    @jonathanjdenney
    jonathanjdenney committed Sep 1, 2023
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  6. Update fstar.py

    @jonathanjdenney
    jonathanjdenney committed Sep 1, 2023
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  7. Update test_fstar.py

    @jonathanjdenney
    jonathanjdenney committed Sep 1, 2023
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  8. pre-commit auto-fixes

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  9. Update test_fstar.py

    @jonathanjdenney
    jonathanjdenney committed Sep 1, 2023
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  10. Merge branch 'fstar' of https://github.com/jonathanjdenney/pymatgen i… 

    …nto fstar
    @jonathanjdenney
    jonathanjdenney committed Sep 1, 2023
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Commits on Sep 2, 2023

  1. simplify test files

    @jonathanjdenney
    jonathanjdenney committed Sep 2, 2023
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  2. Merge remote-tracking branch 'upstream/master' into fstar

    @jonathanjdenney
    jonathanjdenney committed Sep 2, 2023
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  3. pre-commit auto-fixes

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  4. Update test_fstar.py

    @jonathanjdenney
    jonathanjdenney committed Sep 2, 2023
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  5. Merge branch 'fstar' of https://github.com/jonathanjdenney/pymatgen i… 

    …nto fstar
    @jonathanjdenney
    jonathanjdenney committed Sep 2, 2023
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Commits on Sep 16, 2023

  1. git diff --name-only origin/master...HEAD | tail -n +4 | xargs git ch… 

    …eckout master
    @janosh
    janosh committed Sep 16, 2023
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  2. gzip pymatgen/analysis/fstar/neutron_factors.csv

    @janosh
    janosh committed Sep 16, 2023
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Commits on Sep 18, 2023

  1. Merge remote-tracking branch 'upstream/master' into fstar

    @jonathanjdenney
    jonathanjdenney committed Sep 18, 2023
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  2. Update fstar.py 

    Raise error is structures with less than 3 unique sites are used as an input.
    @jonathanjdenney
    jonathanjdenney committed Sep 18, 2023
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  3. Update fstar.py 

    Open neutron_factors.csv with gzip library
    @jonathanjdenney
    jonathanjdenney committed Sep 18, 2023
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  4. Update fstar.py 

    Raise an error if someone wants neutron scattering past atomic number 96.
    @jonathanjdenney
    jonathanjdenney committed Sep 18, 2023
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  5. pre-commit auto-fixes

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    pre-commit-ci[bot] committed Sep 18, 2023
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  6. Update fstar.py

    @jonathanjdenney
    jonathanjdenney committed Sep 18, 2023
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  7. Merge branch 'fstar' of https://github.com/jonathanjdenney/pymatgen i… 

    …nto fstar
    @jonathanjdenney
    jonathanjdenney committed Sep 18, 2023
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  8. pre-commit auto-fixes

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