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Add UpfData input namespace #194

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Add UpfData input namespace #194

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Commits on Aug 28, 2023

  1. Allow UPF pseudos input. 

    - Add aiida-pseudo dependency.
- Install SSSP/1.3/PBE/efficiency pseudo using aiida-sssp
- Add an example run
    @yakutovicha
    yakutovicha committed Aug 28, 2023
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Commits on Mar 19, 2024

  1. Merge branch 'main' into feature/add-upfdata-input

    @yakutovicha
    yakutovicha authored Mar 19, 2024
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  2. Update cp2k version to 9.1

    @yakutovicha
    yakutovicha committed Mar 19, 2024
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Commits on Mar 27, 2024

  1. Merge branch 'main' into feature/add-upfdata-input

    @yakutovicha
    yakutovicha committed Mar 27, 2024
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  2. Remove SSSP install from the Dockerfile

    @yakutovicha
    yakutovicha committed Mar 27, 2024
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  3. Add setup_sssp_pseudos fixture.

    @yakutovicha
    yakutovicha committed Mar 27, 2024
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  4. [pre-commit.ci] auto fixes from pre-commit.com hooks 

    for more information, see https://pre-commit.ci
    @pre-commit-ci
    pre-commit-ci[bot] committed Mar 27, 2024
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  5. Replace Si structure with a smaller one.

    @yakutovicha
    yakutovicha committed Mar 27, 2024
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  6. Trying to fix the test.

    @yakutovicha
    yakutovicha committed Mar 27, 2024
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  7. Make sirius simulation faster.

    @yakutovicha
    yakutovicha committed Mar 27, 2024
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Commits on Apr 2, 2024

  1. Merge branch 'main' into feature/add-upfdata-input

    @yakutovicha
    yakutovicha authored Apr 2, 2024
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  2. [pre-commit.ci] auto fixes from pre-commit.com hooks 

    for more information, see https://pre-commit.ci
    @pre-commit-ci
    pre-commit-ci[bot] committed Apr 2, 2024
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