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PhononMaker add options to calculate_pdos and save force constants to file #1008

Merged
merged 13 commits into from
Nov 14, 2024
Merged

PhononMaker add options to calculate_pdos and save force constants to file #1008

merged 13 commits into from
Nov 14, 2024

Commits on Oct 6, 2024

  1. add calculate_pdos and make force constance can be save

    Yaotang Zhang authored and Yaotang Zhang committed Oct 6, 2024
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  2. add calculate_pdos and make force constance can be save

    Yaotang Zhang authored and Yaotang Zhang committed Oct 6, 2024
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Commits on Oct 7, 2024

  1. Update phonons.py

    @chouyoudou
    chouyoudou authored Oct 7, 2024
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  2. Apply pre-commit hooks for code formatting and linting

    Yaotang Zhang authored and Yaotang Zhang committed Oct 7, 2024
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  3. Merge pull request #1 from materialsproject/main 

    Update commit
    @chouyoudou
    chouyoudou authored Oct 7, 2024
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  4. Fix issues found by pre-commit hooks

    Yaotang Zhang authored and Yaotang Zhang committed Oct 7, 2024
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Commits on Oct 18, 2024

  1. Merge branch 'main' into main

    @chouyoudou
    chouyoudou authored Oct 18, 2024
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Commits on Oct 19, 2024

  1. add force_constants2file parameter

    Yaotang Zhang authored and Yaotang Zhang committed Oct 19, 2024
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Commits on Oct 21, 2024

  1. - Renamed "force_constants2file" to "force_constants_filename" 

    - Add "create_force_constants_file" in "generate_frequencies_eigenvectors_kwargs"
- Move "force_constants_filename" and "calculate_pdos" to "generate_frequencies_eigenvectors_kwargs"
    Yaotang Zhang authored and Yaotang Zhang committed Oct 21, 2024
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  2. Merge branch 'main' into main

    @chouyoudou
    chouyoudou authored Oct 21, 2024
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Commits on Nov 14, 2024

  1. fix doc string placement

    @janosh
    janosh committed Nov 14, 2024
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  2. refactor from_forces_born handling create_force_constants_file

    @janosh
    janosh committed Nov 14, 2024
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  3. fix typo

    @janosh
    janosh committed Nov 14, 2024
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