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PDOSWorkChain - align energy range to fermi level #764

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PDOSWorkChain - align energy range to fermi level #764

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Commits on May 10, 2023

  1. Adjust dos and projwfc inputs

    @mbercx
    t-reents authored and mbercx committed May 10, 2023
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  2. fix projwfc inputs

    @mbercx
    t-reents authored and mbercx committed May 10, 2023
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  3. fix input help

    @t-reents @mbercx
    t-reents authored and mbercx committed May 10, 2023
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  4. Update aiida_quantumespresso/workflows/pdos.py 

    Co-authored-by: Sebastiaan Huber <[email protected]>
    @t-reents @sphuber @mbercx
    2 people authored and mbercx committed May 10, 2023
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  5. add validator and small changes

    @mbercx
    Timo Reents authored and mbercx committed May 10, 2023
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  6. Update validator 

    Co-authored-by: Sebastiaan Huber <[email protected]>
    @t-reents @sphuber @mbercx
    2 people authored and mbercx committed May 10, 2023
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  7. Update aiida_quantumespresso/workflows/pdos.py 

    Co-authored-by: Sebastiaan Huber <[email protected]>
    @t-reents @sphuber @mbercx
    2 people authored and mbercx committed May 10, 2023
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  8. Update aiida_quantumespresso/workflows/pdos.py 

    Co-authored-by: Sebastiaan Huber <[email protected]>
    @t-reents @sphuber @mbercx
    2 people authored and mbercx committed May 10, 2023
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  9. minor change in fermi_energy_range validator

    @mbercx
    Timo Reents authored and mbercx committed May 10, 2023
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  10. change input name

    @mbercx
    t-reents authored and mbercx committed May 10, 2023
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  11. adapt validator

    @mbercx
    t-reents authored and mbercx committed May 10, 2023
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  12. update parameters

    @mbercx
    t-reents authored and mbercx committed May 10, 2023
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  13. Fix tests

    @mbercx
    mbercx committed May 10, 2023
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Commits on Nov 15, 2023

  1. Draft for test adjustments

    Timo Reents committed Nov 15, 2023
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Commits on Nov 22, 2024

  1. Adding tests to check the new energy range logic

    @t-reents
    t-reents committed Nov 22, 2024
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