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simplify types #23

Merged
merged 22 commits into from
Nov 17, 2021
Merged

simplify types #23

merged 22 commits into from
Nov 17, 2021

Commits on Nov 10, 2021

  1. first, just get rid of AbstractElement 

    Signed-off-by: Rachel Kurchin <[email protected]>
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  2. oops, deleted export of AbstractParticle and AbstractAtom in first co… 

    …mmit, put them back

Signed-off-by: Rachel Kurchin <[email protected]>
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  3. remove AbstractParticle, keep SimpleAtom for now 

    Signed-off-by: Rachel Kurchin <[email protected]>
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  4. and now AbstractSystem is gone too 

    Signed-off-by: Rachel Kurchin <[email protected]>
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Commits on Nov 12, 2021

  1. Revert "and now AbstractSystem is gone too" 

    This reverts commit 7a32c77.
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  2. remove export of ChemicalElement 

    Signed-off-by: Rachel Kurchin <[email protected]>
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  3. remove duplicated iterate dispatch 

    Signed-off-by: Rachel Kurchin <[email protected]>
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  4. rename SimpleAtom to StaticAtom, delete phantom implementation_simple… 

    … file that somehow came back

Signed-off-by: Rachel Kurchin <[email protected]>
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  5. rename element function to species, add "singular" species function, … 

    …fix return types of other singular functions, rename ET parameter to S, add default size dispatch since firstindex default to a scalar

Signed-off-by: Rachel Kurchin <[email protected]>
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  6. fix iterate 

    Signed-off-by: Rachel Kurchin <[email protected]>
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  7. readme updates, a couple other small fixes 

    Signed-off-by: Rachel Kurchin <[email protected]>
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  8. printing tweaks 

    Signed-off-by: Rachel Kurchin <[email protected]>
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  9. Michael's suggested change for typing on box 

    Signed-off-by: Rachel Kurchin <[email protected]>
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  10. move atomic stuff to another file, fix some broken functions 

    Signed-off-by: Rachel Kurchin <[email protected]>
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  11. rename get_periodic, add tests 

    Signed-off-by: Rachel Kurchin <[email protected]>
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  12. add docstrings 

    Signed-off-by: Rachel Kurchin <[email protected]>
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  13. formatting 

    Signed-off-by: Rachel Kurchin <[email protected]>
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Commits on Nov 16, 2021

  1. few tweaks per G's suggestions 

    Signed-off-by: Rachel Kurchin <[email protected]>
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    rkurchin committed Nov 16, 2021
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Commits on Nov 17, 2021

  1. mostly aesthetic changes per Michael's suggestions 

    Signed-off-by: Rachel Kurchin <[email protected]>
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  2. add indexed versions of position, velocity, species fcns 

    Signed-off-by: Rachel Kurchin <[email protected]>
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  3. add tests, fix typo in SoA implementation 

    Signed-off-by: Rachel Kurchin <[email protected]>
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  4. remove getindex and length error throws, leaving boundary_conditions … 

    …and bounding_box for now since there are type annotations...

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