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Add support for having non-displaced atoms in Phonopy routines #2110

Merged
merged 39 commits into from
Oct 11, 2024
Merged

Add support for having non-displaced atoms in Phonopy routines #2110

merged 39 commits into from
Oct 11, 2024

Commits on May 4, 2024

  1. initial

    @tomdemeyere
    tomdemeyere committed May 4, 2024
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Commits on May 5, 2024

  1. done

    @tomdemeyere
    tomdemeyere committed May 5, 2024
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  2. fix

    @tomdemeyere
    tomdemeyere committed May 5, 2024
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  3. fix?

    @tomdemeyere
    tomdemeyere committed May 5, 2024
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Commits on May 8, 2024

  1. suggestions

    @tomdemeyere
    tomdemeyere committed May 8, 2024
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  2. pre-commit auto-fixes

    @pre-commit-ci
    pre-commit-ci[bot] committed May 8, 2024
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  3. tests

    @tomdemeyere
    tomdemeyere committed May 8, 2024
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  4. Merge remote-tracking branch 'origin/phonopy_fixed_atoms' into phonop… 

    …y_fixed_atoms
    @tomdemeyere
    tomdemeyere committed May 8, 2024
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Commits on May 10, 2024

  1. initial

    @tomdemeyere
    tomdemeyere committed May 10, 2024
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  2. Merge branch 'main' into phonopy_fixed_atoms_v2

    @tomdemeyere
    tomdemeyere committed May 10, 2024
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  3. pre-commit auto-fixes

    @pre-commit-ci
    pre-commit-ci[bot] committed May 10, 2024
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  4. some changes

    @tomdemeyere
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  5. some changes

    @tomdemeyere
    tomdemeyere committed May 10, 2024
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  6. pre-commit auto-fixes

    @pre-commit-ci
    pre-commit-ci[bot] committed May 10, 2024
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  7. some changes

    @tomdemeyere
    tomdemeyere committed May 10, 2024
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  8. Merge remote-tracking branch 'origin/phonopy_fixed_atoms_v2' into pho… 

    …nopy_fixed_atoms_v2
    @tomdemeyere
    tomdemeyere committed May 10, 2024
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Commits on May 12, 2024

  1. Merge branch 'main' into phonopy_fixed_atoms_v2

    @Andrew-S-Rosen
    Andrew-S-Rosen authored May 12, 2024
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Commits on Jun 5, 2024

  1. Merge branch 'main' into phonopy_fixed_atoms_v2

    @Andrew-S-Rosen
    Andrew-S-Rosen authored Jun 5, 2024
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  2. pre-commit auto-fixes

    @pre-commit-ci
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Commits on Jun 12, 2024

  1. Merge branch 'main' into phonopy_fixed_atoms_v2

    @Andrew-S-Rosen
    Andrew-S-Rosen committed Jun 12, 2024
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  2. pre-commit auto-fixes

    @pre-commit-ci
    pre-commit-ci[bot] committed Jun 12, 2024
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  3. Update phonons.py

    @Andrew-S-Rosen
    Andrew-S-Rosen authored Jun 12, 2024
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  4. Update phonons.py

    @Andrew-S-Rosen
    Andrew-S-Rosen authored Jun 12, 2024
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  5. pre-commit auto-fixes

    @pre-commit-ci
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  6. Update phonons.py

    @Andrew-S-Rosen
    Andrew-S-Rosen authored Jun 12, 2024
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  7. fix

    @Andrew-S-Rosen
    Andrew-S-Rosen committed Jun 12, 2024
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  8. fix

    @Andrew-S-Rosen
    Andrew-S-Rosen committed Jun 12, 2024
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  9. Update phonons.py

    @Andrew-S-Rosen
    Andrew-S-Rosen authored Jun 12, 2024
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Commits on Jun 20, 2024

  1. Merge branch 'main' into phonopy_fixed_atoms_v2

    @Andrew-S-Rosen
    Andrew-S-Rosen authored Jun 20, 2024
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  2. Merge branch 'main' into phonopy_fixed_atoms_v2

    @Andrew-S-Rosen
    Andrew-S-Rosen authored Jun 20, 2024
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Commits on Jul 1, 2024

  1. Merge branch 'main' into phonopy_fixed_atoms_v2

    @Andrew-S-Rosen
    Andrew-S-Rosen authored Jul 1, 2024
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Commits on Jul 27, 2024

  1. Merge branch 'main' into phonopy_fixed_atoms_v2

    @Andrew-S-Rosen
    Andrew-S-Rosen authored Jul 27, 2024
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Commits on Sep 17, 2024

  1. Merge branch 'main' into phonopy_fixed_atoms_v2

    @Andrew-S-Rosen
    Andrew-S-Rosen authored Sep 17, 2024
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  2. Merge branch 'main' into phonopy_fixed_atoms_v2

    @Andrew-S-Rosen
    Andrew-S-Rosen authored Sep 17, 2024
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Commits on Oct 6, 2024

  1. Merge branch 'main' into phonopy_fixed_atoms_v2

    @tomdemeyere
    tomdemeyere committed Oct 6, 2024
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  2. suggestions + test + non_displaced_atoms in additional_fields

    @tomdemeyere
    tomdemeyere committed Oct 6, 2024
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Commits on Oct 11, 2024

  1. fixed_atom_indices

    @tomdemeyere
    tomdemeyere committed Oct 11, 2024
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  2. pre-commit auto-fixes

    @pre-commit-ci
    pre-commit-ci[bot] committed Oct 11, 2024
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  3. Merge branch 'main' into phonopy_fixed_atoms_v2

    @Andrew-S-Rosen
    Andrew-S-Rosen authored Oct 11, 2024
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