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WIP: Disloc kink structure generation #244

Merged
merged 48 commits into from
Sep 13, 2024
Merged

WIP: Disloc kink structure generation #244

merged 48 commits into from
Sep 13, 2024

Commits on May 10, 2024

  1. MAINT: Tweaks to disloc kink + glide

    @thomas-rocke
    thomas-rocke committed May 10, 2024
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Commits on May 13, 2024

  1. ENH: Find smaller representation of cut structure

    @thomas-rocke
    thomas-rocke committed May 13, 2024
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  2. ENH: Apply structure representation reduction to dislocation unit_cell

    @thomas-rocke
    thomas-rocke committed May 13, 2024
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Commits on May 14, 2024

  1. WIP: Fixes to kink quadrupoles

    @thomas-rocke
    thomas-rocke committed May 14, 2024
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Commits on May 17, 2024

  1. ENH: Coordination number calculation

    @thomas-rocke
    thomas-rocke committed May 17, 2024
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Commits on May 19, 2024

  1. WIP: Working Quad Kinks

    @thomas-rocke
    thomas-rocke committed May 19, 2024
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Commits on May 20, 2024

  1. ENH: Add extra fixed_points args when building disloc cyls

    @thomas-rocke
    thomas-rocke committed May 20, 2024
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  2. ENH: Disloc Kink Cyl generation

    @thomas-rocke
    thomas-rocke committed May 20, 2024
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  3. MAINT: Skip single kink quad test

    @thomas-rocke
    thomas-rocke committed May 20, 2024
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  4. MAINT: Add pytest timeout of 300s through pytest-timeout

    @thomas-rocke
    thomas-rocke committed May 20, 2024
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  5. BUG: pytest.skip -> pytest.mark.skip

    @thomas-rocke
    thomas-rocke committed May 20, 2024
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  6. BUG: Fix fixed_points not scaling off unit_cell_core_position

    @thomas-rocke
    thomas-rocke committed May 20, 2024
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Commits on May 23, 2024

  1. MAINT: Promote _smooth_kink_displacements to CCD from CCDQ

    @thomas-rocke
    thomas-rocke committed May 23, 2024
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  2. ENH: Displacmeent smoothing for cyl kinks

    @thomas-rocke
    thomas-rocke committed May 23, 2024
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  3. ENH: Multi-kink quads

    @thomas-rocke
    thomas-rocke committed May 23, 2024
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Commits on May 28, 2024

  1. ENH: Kink networks in quadrupoles

    @thomas-rocke
    thomas-rocke committed May 28, 2024
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  2. WIP: Start of disloc mobility docs

    @thomas-rocke
    thomas-rocke committed May 28, 2024
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Commits on May 30, 2024

  1. BUG: Fix issue with SymmetryEquivalenceCheck modifying ats

    @thomas-rocke
    thomas-rocke committed May 30, 2024
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Commits on Jun 13, 2024

  1. MAINT: Convert to using np.atleast_2d

    @thomas-rocke
    thomas-rocke committed Jun 13, 2024
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Commits on Jul 31, 2024

  1. Merge branch 'DislocKink' of https://github.com/thomas-rocke/matscipy … 

    …into DislocKink
    @thomas-rocke
    thomas-rocke committed Jul 31, 2024
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  2. WIP: Disloc mobility docs

    @thomas-rocke
    thomas-rocke committed Jul 31, 2024
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  3. Merge remote-tracking branch 'upstream/master' into DislocKink

    @thomas-rocke
    thomas-rocke committed Jul 31, 2024
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Commits on Aug 7, 2024

  1. MAINT: classmethod property -> classproperty

    @thomas-rocke
    thomas-rocke committed Aug 7, 2024
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  2. DOC: Tweaks to disloc mobility docs

    @thomas-rocke
    thomas-rocke committed Aug 7, 2024
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  3. DOC: Proper note syntax in multispecies dislocs docs

    @thomas-rocke
    thomas-rocke committed Aug 7, 2024
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  4. ENH: Separate kink cyl gen into distinct steps

    @thomas-rocke
    thomas-rocke committed Aug 7, 2024
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Commits on Aug 17, 2024

  1. ENH: Quad kink in separate steps

    @thomas-rocke
    thomas-rocke committed Aug 17, 2024
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  2. MAINT: Non-mutable default for kink_map

    @thomas-rocke
    thomas-rocke committed Aug 17, 2024
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Commits on Aug 20, 2024

  1. BUG: Allow CCDD build_cylinder to specify both core positions

    @thomas-rocke
    thomas-rocke committed Aug 20, 2024
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  2. BUG: Fix arg order in build_kink_cylinder

    @thomas-rocke
    thomas-rocke committed Aug 20, 2024
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  3. MAINT: Re-add exception for BCC Edge 111bar quad kink construction

    @thomas-rocke
    thomas-rocke committed Aug 20, 2024
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  4. MAINT: Fix broken test (Caused by finding min repr of rotated cell)

    @thomas-rocke
    thomas-rocke committed Aug 20, 2024
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Commits on Aug 22, 2024

  1. DOC: Glide Screw -> 60deg for mobility docs

    @thomas-rocke
    thomas-rocke committed Aug 22, 2024
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Commits on Sep 3, 2024

  1. ENH: Disloc DXA for view_cyl

    @thomas-rocke
    thomas-rocke committed Sep 3, 2024
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  2. ENH: Fix build_minimal_kink_quadrupole

    @thomas-rocke
    thomas-rocke committed Sep 3, 2024
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Commits on Sep 4, 2024

  1. DOC: Disloc mobility docs

    @thomas-rocke
    thomas-rocke committed Sep 4, 2024
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  2. DOC: Move quadrupole glide + kink to disloc_mobility.ipynb

    @thomas-rocke
    thomas-rocke committed Sep 4, 2024
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  3. MAINT: Formatting of plasticity docs toc

    @thomas-rocke
    thomas-rocke committed Sep 4, 2024
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Commits on Sep 9, 2024

  1. ENH: More general kink_maps now work

    @thomas-rocke
    thomas-rocke committed Sep 9, 2024
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  2. MAINT: Kink generation functions return reference bulk

    @thomas-rocke
    thomas-rocke committed Sep 9, 2024
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  3. MAINT: Quad kink also returns bulk

    @thomas-rocke
    thomas-rocke committed Sep 9, 2024
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  4. BUG: Fix kink building not properly reading struct_map

    @thomas-rocke
    thomas-rocke committed Sep 9, 2024
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  5. TEST: Unittests for cyl & quad kinks

    @thomas-rocke
    thomas-rocke committed Sep 9, 2024
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  6. DOC: Updating disloc mobility docs to work with returned bulk

    @thomas-rocke
    thomas-rocke committed Sep 9, 2024
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Commits on Sep 10, 2024

  1. ENH: DXA colours for BCC & FCC

    @thomas-rocke
    thomas-rocke committed Sep 10, 2024
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  2. BUG: Fix issue with kink structure improvement docs

    @thomas-rocke
    thomas-rocke committed Sep 10, 2024
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  3. BUG: Fix kink structures not being built correctly

    @thomas-rocke
    thomas-rocke committed Sep 10, 2024
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  4. DOC: Reduce verbosity of kink quad output in docs

    @thomas-rocke
    thomas-rocke committed Sep 10, 2024
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