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Equivalent points #280

Merged
merged 22 commits into from
Jul 21, 2021
Merged

Equivalent points #280

merged 22 commits into from
Jul 21, 2021

Commits on Jul 14, 2021

  1. move get_equivalent_points to analyse

    @samwaseda
    samwaseda committed Jul 14, 2021
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  2. implement group_points_by_symmetry

    @samwaseda
    samwaseda committed Jul 14, 2021
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  3. add tests

    @samwaseda
    samwaseda committed Jul 14, 2021
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Commits on Jul 16, 2021

  1. Update pyiron_atomistics/atomistics/structure/analyse.py 

    Co-authored-by: Marvin Poul <poul@mpie.de>
    @samwaseda @pmrv
    samwaseda and pmrv committed Jul 16, 2021
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  2. Merge remote-tracking branch 'origin' into equivalent_points

    @samwaseda
    samwaseda committed Jul 16, 2021
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  3. add symmetry

    @samwaseda
    samwaseda committed Jul 16, 2021
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  4. add symmetry in atoms.py

    @samwaseda
    samwaseda committed Jul 16, 2021
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Commits on Jul 19, 2021

  1. move symmetrize vectors

    @samwaseda
    samwaseda committed Jul 19, 2021
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  2. create test_symmetry

    @samwaseda
    samwaseda committed Jul 19, 2021
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  3. correct test

    @samwaseda
    samwaseda committed Jul 19, 2021
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  4. return symmetry object instead of appending it to structure

    @samwaseda
    samwaseda committed Jul 19, 2021
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  5. correct tests

    @samwaseda
    samwaseda committed Jul 19, 2021
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  6. correct tests

    @samwaseda
    samwaseda committed Jul 19, 2021
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  7. refactoring

    @samwaseda
    samwaseda committed Jul 19, 2021
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  8. move group_points and remove tests

    @samwaseda
    samwaseda committed Jul 19, 2021
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  9. remove voronoi stuff

    @samwaseda
    samwaseda committed Jul 19, 2021
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Commits on Jul 20, 2021

  1. move functions to symmetry.py

    @samwaseda
    samwaseda committed Jul 20, 2021
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  2. correct cell definition

    @samwaseda
    samwaseda committed Jul 20, 2021
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  3. Codacy

    @samwaseda
    samwaseda committed Jul 20, 2021
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  4. add docstrings

    @samwaseda
    samwaseda committed Jul 20, 2021
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  5. Marvin's shape suggestion

    @samwaseda
    samwaseda committed Jul 20, 2021
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  6. codacy

    @samwaseda
    samwaseda committed Jul 20, 2021
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