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support Dirac GOS #72

Merged
merged 27 commits into from
Jul 27, 2024
Merged

support Dirac GOS #72

merged 27 commits into from
Jul 27, 2024

Commits on Jul 16, 2024

  1. support Dirac GOS

    @zezhong-zhang
    zezhong-zhang committed Jul 16, 2024
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  2. remove test as the database has more elements than the dict

    @zezhong-zhang
    zezhong-zhang committed Jul 16, 2024
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  3. fix rst format

    @zezhong-zhang
    zezhong-zhang committed Jul 16, 2024
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Commits on Jul 22, 2024

  1. use the registry in GoshGOS to support Dirac GOS

    @zezhong-zhang
    zezhong-zhang committed Jul 22, 2024
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  2. fix name error

    @zezhong-zhang
    zezhong-zhang committed Jul 22, 2024
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  3. apply ruff format

    @zezhong-zhang
    zezhong-zhang committed Jul 22, 2024
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Commits on Jul 23, 2024

  1. minor changes on the GOS _name and doc

    @zezhong-zhang
    zezhong-zhang committed Jul 23, 2024
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  2. apply ruff format

    @zezhong-zhang
    zezhong-zhang committed Jul 23, 2024
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  3. add test for dirac gos

    @zezhong-zhang
    zezhong-zhang committed Jul 23, 2024
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  4. apply ruff format

    @zezhong-zhang
    zezhong-zhang committed Jul 23, 2024
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  5. add gos_file_path when append subshells

    @zezhong-zhang
    zezhong-zhang committed Jul 23, 2024
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  6. add dirac gos in test_eels_cl_edge

    @zezhong-zhang
    zezhong-zhang committed Jul 23, 2024
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  7. remove the self.GOS reset as not necessary

    @zezhong-zhang
    zezhong-zhang committed Jul 23, 2024
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  8. update the doi to the compact dirac gos

    @zezhong-zhang
    zezhong-zhang committed Jul 23, 2024
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  9. add changelog

    @zezhong-zhang
    zezhong-zhang committed Jul 23, 2024
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  10. update link in the doc and add example

    @zezhong-zhang
    zezhong-zhang committed Jul 23, 2024
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  11. remove extra title in the changelog

    @zezhong-zhang
    zezhong-zhang committed Jul 23, 2024
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Commits on Jul 24, 2024

  1. Update upcoming_changes/72.new.rst 

    Co-authored-by: Eric Prestat <[email protected]>
    @zezhong-zhang @ericpre
    zezhong-zhang and ericpre authored Jul 24, 2024
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  2. Update CHANGES.rst 

    Co-authored-by: Eric Prestat <[email protected]>
    @zezhong-zhang @ericpre
    zezhong-zhang and ericpre authored Jul 24, 2024
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  3. Update exspy/components/eels_cl_edge.py 

    redirect "gosh" to "dft" to avoid the name breaking

Co-authored-by: Eric Prestat <[email protected]>
    @zezhong-zhang @ericpre
    zezhong-zhang and ericpre authored Jul 24, 2024
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  4. import warnings

    @zezhong-zhang
    zezhong-zhang committed Jul 24, 2024
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  5. test gosh redirect

    @zezhong-zhang
    zezhong-zhang committed Jul 24, 2024
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Commits on Jul 27, 2024

  1. Update exspy/tests/models/test_eelsmodel.py 

    Co-authored-by: Eric Prestat <[email protected]>
    @zezhong-zhang @ericpre
    zezhong-zhang and ericpre authored Jul 27, 2024
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  2. Update exspy/misc/eels/gosh_gos.py 

    Co-authored-by: Eric Prestat <[email protected]>
    @zezhong-zhang @ericpre
    zezhong-zhang and ericpre authored Jul 27, 2024
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  3. add missing import

    @zezhong-zhang
    zezhong-zhang committed Jul 27, 2024
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  4. remove GOS.lower() as Hartree-Slater has upper case

    @zezhong-zhang
    zezhong-zhang committed Jul 27, 2024
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  5. update gosh tests

    @zezhong-zhang
    zezhong-zhang committed Jul 27, 2024
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