Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Nanobind port: Order module #1281

Merged
merged 94 commits into from
Nov 8, 2024
Merged

Nanobind port: Order module #1281

merged 94 commits into from
Nov 8, 2024

Commits on Sep 11, 2024

  1. Update order/Nematic

    @janbridley
    janbridley committed Sep 11, 2024
    Configuration menu
    Copy the full SHA
    004edac View commit details
    Browse the repository at this point in the history

  2. Export nematic and module order

    @janbridley
    janbridley committed Sep 11, 2024
    Configuration menu
    Copy the full SHA
    8ef385e View commit details
    Browse the repository at this point in the history

  3. Update cmakelists

    @janbridley
    janbridley committed Sep 11, 2024
    Configuration menu
    Copy the full SHA
    be23b20 View commit details
    Browse the repository at this point in the history

  4. Move order.pyx to order.py

    @janbridley
    janbridley committed Sep 11, 2024
    Configuration menu
    Copy the full SHA
    82718d8 View commit details
    Browse the repository at this point in the history

  5. Update init.py

    @janbridley
    janbridley committed Sep 11, 2024
    Configuration menu
    Copy the full SHA
    cc18bda View commit details
    Browse the repository at this point in the history

  6. Update python side for Nematic order

    @janbridley
    janbridley committed Sep 11, 2024
    Configuration menu
    Copy the full SHA
    3aa882d View commit details
    Browse the repository at this point in the history

  7. Convert to numpy array

    @janbridley
    janbridley committed Sep 11, 2024
    Configuration menu
    Copy the full SHA
    addde43 View commit details
    Browse the repository at this point in the history

Commits on Oct 22, 2024

  1. Update order/Nematic

    @janbridley @seoulfood
    janbridley authored and seoulfood committed Oct 22, 2024
    Configuration menu
    Copy the full SHA
    5f40d6e View commit details
    Browse the repository at this point in the history

  2. Export nematic and module order

    @janbridley @seoulfood
    janbridley authored and seoulfood committed Oct 22, 2024
    Configuration menu
    Copy the full SHA
    89bac0c View commit details
    Browse the repository at this point in the history

  3. Update cmakelists

    @janbridley @seoulfood
    janbridley authored and seoulfood committed Oct 22, 2024
    Configuration menu
    Copy the full SHA
    24eec22 View commit details
    Browse the repository at this point in the history

  4. Move order.pyx to order.py

    @janbridley @seoulfood
    janbridley authored and seoulfood committed Oct 22, 2024
    Configuration menu
    Copy the full SHA
    770a769 View commit details
    Browse the repository at this point in the history

  5. Update init.py

    @janbridley @seoulfood
    janbridley authored and seoulfood committed Oct 22, 2024
    Configuration menu
    Copy the full SHA
    2bb30bb View commit details
    Browse the repository at this point in the history

  6. Update python side for Nematic order

    @janbridley @seoulfood
    janbridley authored and seoulfood committed Oct 22, 2024
    Configuration menu
    Copy the full SHA
    c77b5ef View commit details
    Browse the repository at this point in the history

  7. Convert to numpy array

    @janbridley @seoulfood
    janbridley authored and seoulfood committed Oct 22, 2024
    Configuration menu
    Copy the full SHA
    32972de View commit details
    Browse the repository at this point in the history

  8. Merging in updated files from others working on porting nanobind

    @seoulfood
    seoulfood committed Oct 22, 2024
    Configuration menu
    Copy the full SHA
    04c2a97 View commit details
    Browse the repository at this point in the history

  9. Progress on RotationalAutocorrelation translation

    @janbridley
    janbridley committed Oct 22, 2024
    Configuration menu
    Copy the full SHA
    1758f4e View commit details
    Browse the repository at this point in the history

Commits on Oct 23, 2024

  1. Update python side of RotationalAutocorrelation

    @janbridley
    janbridley committed Oct 23, 2024
    Configuration menu
    Copy the full SHA
    5592e25 View commit details
    Browse the repository at this point in the history

  2. Export RotationalAutocorrelation

    @janbridley
    janbridley committed Oct 23, 2024
    Configuration menu
    Copy the full SHA
    b0900b7 View commit details
    Browse the repository at this point in the history

  3. Include missing header

    @janbridley
    janbridley committed Oct 23, 2024
    Configuration menu
    Copy the full SHA
    a4e7a82 View commit details
    Browse the repository at this point in the history

  4. WIP on Steinhardt

    @janbridley
    janbridley committed Oct 23, 2024
    Configuration menu
    Copy the full SHA
    3194225 View commit details
    Browse the repository at this point in the history

  5. 17 errors

    @janbridley
    janbridley committed Oct 23, 2024
    Configuration menu
    Copy the full SHA
    c85fdde View commit details
    Browse the repository at this point in the history

  6. 6 errors

    @janbridley
    janbridley committed Oct 23, 2024
    Configuration menu
    Copy the full SHA
    728f08e View commit details
    Browse the repository at this point in the history

  7. 5 errors

    @janbridley
    janbridley committed Oct 23, 2024
    Configuration menu
    Copy the full SHA
    1cf8133 View commit details
    Browse the repository at this point in the history

  8. 17 errors

    @janbridley
    janbridley committed Oct 23, 2024
    Configuration menu
    Copy the full SHA
    b19d521 View commit details
    Browse the repository at this point in the history

  9. 15

    @janbridley
    janbridley committed Oct 23, 2024
    Configuration menu
    Copy the full SHA
    356efee View commit details
    Browse the repository at this point in the history

  10. 10 errors

    @janbridley
    janbridley committed Oct 23, 2024
    Configuration menu
    Copy the full SHA
    5ec3279 View commit details
    Browse the repository at this point in the history

  11. 5 errors

    @janbridley
    janbridley committed Oct 23, 2024
    Configuration menu
    Copy the full SHA
    4a82ec9 View commit details
    Browse the repository at this point in the history

  12. 3 errors

    @janbridley
    janbridley committed Oct 23, 2024
    Configuration menu
    Copy the full SHA
    be22bf8 View commit details
    Browse the repository at this point in the history

  13. 2 errors

    @janbridley
    janbridley committed Oct 23, 2024
    Configuration menu
    Copy the full SHA
    0193019 View commit details
    Browse the repository at this point in the history

  14. 1 error

    @janbridley
    janbridley committed Oct 23, 2024
    Configuration menu
    Copy the full SHA
    bff43f0 View commit details
    Browse the repository at this point in the history

  15. 3 errors

    @janbridley
    janbridley committed Oct 23, 2024
    Configuration menu
    Copy the full SHA
    aa0ffb1 View commit details
    Browse the repository at this point in the history

  16. 0 errors

    @janbridley
    janbridley committed Oct 23, 2024
    Configuration menu
    Copy the full SHA
    9872c90 View commit details
    Browse the repository at this point in the history

  17. Fix Steinhardt __init__

    @janbridley
    janbridley committed Oct 23, 2024
    Configuration menu
    Copy the full SHA
    391dad0 View commit details
    Browse the repository at this point in the history

  18. First property

    @janbridley
    janbridley committed Oct 23, 2024
    Configuration menu
    Copy the full SHA
    264d749 View commit details
    Browse the repository at this point in the history

  19. Scalar properties

    @janbridley
    janbridley committed Oct 23, 2024
    Configuration menu
    Copy the full SHA
    19a0006 View commit details
    Browse the repository at this point in the history

  20. Initial compute interface

    @janbridley
    janbridley committed Oct 23, 2024
    Configuration menu
    Copy the full SHA
    77b31a8 View commit details
    Browse the repository at this point in the history

Commits on Oct 24, 2024

  1. Fix final method in RotationalAutocorrelation

    @janbridley
    janbridley committed Oct 24, 2024
    Configuration menu
    Copy the full SHA
    21cdd7a View commit details
    Browse the repository at this point in the history

  2. Steinhardt shared_ptr to neighbor queries

    @janbridley
    janbridley committed Oct 24, 2024
    Configuration menu
    Copy the full SHA
    3352f46 View commit details
    Browse the repository at this point in the history

  3. Update NeighborComputeFunctional to use shared pointers

    @janbridley
    janbridley committed Oct 24, 2024
    Configuration menu
    Copy the full SHA
    3a6ea38 View commit details
    Browse the repository at this point in the history

  4. Fix compile error.

    @joaander
    joaander committed Oct 24, 2024
    Configuration menu
    Copy the full SHA
    522e3ec View commit details
    Browse the repository at this point in the history

  5. compute() call completes.

    @joaander
    joaander committed Oct 24, 2024
    Configuration menu
    Copy the full SHA
    4d009cb View commit details
    Browse the repository at this point in the history

Commits on Oct 25, 2024

  1. Add qlm and particle order exports

    @janbridley
    janbridley committed Oct 25, 2024
    Configuration menu
    Copy the full SHA
    7833b4c View commit details
    Browse the repository at this point in the history

  2. Fix segfalt when computing averaged steinhardt

    @janbridley
    janbridley committed Oct 25, 2024
    Configuration menu
    Copy the full SHA
    fcfd1d9 View commit details
    Browse the repository at this point in the history

  3. export ql

    @janbridley
    janbridley committed Oct 25, 2024
    Configuration menu
    Copy the full SHA
    a9c8cd8 View commit details
    Browse the repository at this point in the history

  4. Clean up order.py for steinhardt

    @janbridley
    janbridley committed Oct 25, 2024
    Configuration menu
    Copy the full SHA
    6c472fc View commit details
    Browse the repository at this point in the history

  5. SolidLiquid progress

    @janbridley
    janbridley committed Oct 25, 2024
    Configuration menu
    Copy the full SHA
    51fdb5a View commit details
    Browse the repository at this point in the history

  6. 2 errors

    @janbridley
    janbridley committed Oct 25, 2024
    Configuration menu
    Copy the full SHA
    80ecb1e View commit details
    Browse the repository at this point in the history

  7. 1 error

    @janbridley
    janbridley committed Oct 25, 2024
    Configuration menu
    Copy the full SHA
    744c016 View commit details
    Browse the repository at this point in the history

  8. Compile SolidLiquid

    @janbridley
    janbridley committed Oct 25, 2024
    Configuration menu
    Copy the full SHA
    5a12795 View commit details
    Browse the repository at this point in the history

  9. clean up SolidLiquid

    @janbridley
    janbridley committed Oct 25, 2024
    Configuration menu
    Copy the full SHA
    5c0ddce View commit details
    Browse the repository at this point in the history

  10. export SolidLiquid

    @janbridley
    janbridley committed Oct 25, 2024
    Configuration menu
    Copy the full SHA
    39a9e14 View commit details
    Browse the repository at this point in the history

  11. Initial SolidLiquid python layer

    @janbridley
    janbridley committed Oct 25, 2024
    Configuration menu
    Copy the full SHA
    7b66c2b View commit details
    Browse the repository at this point in the history

Commits on Oct 26, 2024

  1. Finish exporting SolidLiquid

    @janbridley
    janbridley committed Oct 26, 2024
    Configuration menu
    Copy the full SHA
    ac7065d View commit details
    Browse the repository at this point in the history

  2. Clean up exports thus far

    @janbridley
    janbridley committed Oct 26, 2024
    Configuration menu
    Copy the full SHA
    da32e83 View commit details
    Browse the repository at this point in the history

  3. export continuouscoordination

    @janbridley
    janbridley committed Oct 26, 2024
    Configuration menu
    Copy the full SHA
    41606ba View commit details
    Browse the repository at this point in the history

  4. Compiling version of ContinuousCoordination

    @janbridley
    janbridley committed Oct 26, 2024
    Configuration menu
    Copy the full SHA
    ed234ca View commit details
    Browse the repository at this point in the history

  5. Python export for ContinuousCoordination

    @janbridley
    janbridley committed Oct 26, 2024
    Configuration menu
    Copy the full SHA
    215bb83 View commit details
    Browse the repository at this point in the history

  6. Lint cpp files

    @janbridley
    janbridley committed Oct 26, 2024
    Configuration menu
    Copy the full SHA
    b55deaf View commit details
    Browse the repository at this point in the history

  7. export cubatic

    @janbridley
    janbridley committed Oct 26, 2024
    Configuration menu
    Copy the full SHA
    f59ce23 View commit details
    Browse the repository at this point in the history

  8. Replace prepare

    @janbridley
    janbridley committed Oct 26, 2024
    Configuration menu
    Copy the full SHA
    2cc36c2 View commit details
    Browse the repository at this point in the history

  9. Finish cubatic

    @janbridley
    janbridley committed Oct 26, 2024
    Configuration menu
    Copy the full SHA
    3d049a3 View commit details
    Browse the repository at this point in the history

  10. clang format

    @janbridley
    janbridley committed Oct 26, 2024
    Configuration menu
    Copy the full SHA
    db06962 View commit details
    Browse the repository at this point in the history

  11. Export ContinuousCoordination properly

    @janbridley
    janbridley committed Oct 26, 2024
    Configuration menu
    Copy the full SHA
    d5e0abf View commit details
    Browse the repository at this point in the history

Commits on Oct 28, 2024

  1. Merge remote-tracking branch 'origin/nanobind' into nanobind-order

    @janbridley
    janbridley committed Oct 28, 2024
    Configuration menu
    Copy the full SHA
    211632e View commit details
    Browse the repository at this point in the history

Commits on Nov 4, 2024

  1. gabby trying to merge, unhelpful message

    @seoulfood
    seoulfood committed Nov 4, 2024
    Configuration menu
    Copy the full SHA
    577376d View commit details
    Browse the repository at this point in the history

  2. Export HexaticTranslational

    @janbridley
    janbridley committed Nov 4, 2024
    Configuration menu
    Copy the full SHA
    3989a5d View commit details
    Browse the repository at this point in the history

  3. pre-commit autofix

    @janbridley
    janbridley committed Nov 4, 2024
    Configuration menu
    Copy the full SHA
    08c8eb1 View commit details
    Browse the repository at this point in the history

  4. Lint order.py

    @janbridley
    janbridley committed Nov 4, 2024
    Configuration menu
    Copy the full SHA
    52e0893 View commit details
    Browse the repository at this point in the history

  5. Lint import block

    @janbridley
    janbridley committed Nov 4, 2024
    Configuration menu
    Copy the full SHA
    90cb85d View commit details
    Browse the repository at this point in the history

  6. Remove unused header

    @janbridley
    janbridley committed Nov 4, 2024
    Configuration menu
    Copy the full SHA
    687a28e View commit details
    Browse the repository at this point in the history

  7. Merge remote-tracking branch 'origin/nanobind' into nanobind-order

    @janbridley
    janbridley committed Nov 4, 2024
    Configuration menu
    Copy the full SHA
    be49b3f View commit details
    Browse the repository at this point in the history

  8. Add missing header

    @janbridley
    janbridley committed Nov 4, 2024
    Configuration menu
    Copy the full SHA
    b88f132 View commit details
    Browse the repository at this point in the history

  9. Fix fstring issue

    @janbridley
    janbridley committed Nov 4, 2024
    Configuration menu
    Copy the full SHA
    1fc13ce View commit details
    Browse the repository at this point in the history

  10. Swap to proper submodule version

    @janbridley
    janbridley committed Nov 4, 2024
    Configuration menu
    Copy the full SHA
    34e2d5f View commit details
    Browse the repository at this point in the history

  11. Fix fstring weirdness

    @janbridley
    janbridley committed Nov 4, 2024
    Configuration menu
    Copy the full SHA
    21bc88f View commit details
    Browse the repository at this point in the history

  12. Fix CI scripts

    @janbridley
    janbridley committed Nov 4, 2024
    Configuration menu
    Copy the full SHA
    3fbec56 View commit details
    Browse the repository at this point in the history

  13. Fix fstring weirdness part 2

    @janbridley
    janbridley committed Nov 4, 2024
    Configuration menu
    Copy the full SHA
    e2809f2 View commit details
    Browse the repository at this point in the history

  14. Fix missing imports

    @janbridley
    janbridley committed Nov 4, 2024
    Configuration menu
    Copy the full SHA
    ca7aac5 View commit details
    Browse the repository at this point in the history

Commits on Nov 5, 2024

  1. Fix fstring again

    @janbridley
    janbridley committed Nov 5, 2024
    Configuration menu
    Copy the full SHA
    c3f4d38 View commit details
    Browse the repository at this point in the history

  2. Address clang-tidy violations.

    @joaander
    joaander committed Nov 5, 2024
    Configuration menu
    Copy the full SHA
    8bae101 View commit details
    Browse the repository at this point in the history

  3. Apply suggestions from code review.

    @joaander
    joaander committed Nov 5, 2024
    Configuration menu
    Copy the full SHA
    f716ee2 View commit details
    Browse the repository at this point in the history

  4. Update freud/order.py 

    Co-authored-by: Joshua A. Anderson <joaander@umich.edu>
    @janbridley @joaander
    janbridley and joaander authored Nov 5, 2024
    Configuration menu
    Copy the full SHA
    7395311 View commit details
    Browse the repository at this point in the history

  5. Fix EM101

    @janbridley
    janbridley committed Nov 5, 2024
    Configuration menu
    Copy the full SHA
    1ce2288 View commit details
    Browse the repository at this point in the history

  6. Globally disable E741

    @janbridley
    janbridley committed Nov 5, 2024
    Configuration menu
    Copy the full SHA
    da307a4 View commit details
    Browse the repository at this point in the history

  7. Update freud/order/Steinhardt.cc 

    Co-authored-by: Joshua A. Anderson <joaander@umich.edu>
    @janbridley @joaander
    janbridley and joaander authored Nov 5, 2024
    Configuration menu
    Copy the full SHA
    e8a6e8d View commit details
    Browse the repository at this point in the history

  8. Update freud/order/Steinhardt.cc 

    Co-authored-by: Joshua A. Anderson <joaander@umich.edu>
    @janbridley @joaander
    janbridley and joaander authored Nov 5, 2024
    Configuration menu
    Copy the full SHA
    1abbdaf View commit details
    Browse the repository at this point in the history

  9. Update freud/order/Wigner3j.cc 

    Co-authored-by: Joshua A. Anderson <joaander@umich.edu>
    @janbridley @joaander
    janbridley and joaander authored Nov 5, 2024
    Configuration menu
    Copy the full SHA
    0491da2 View commit details
    Browse the repository at this point in the history

  10. Update freud/order/Steinhardt.h 

    Co-authored-by: Joshua A. Anderson <joaander@umich.edu>
    @janbridley @joaander
    janbridley and joaander authored Nov 5, 2024
    Configuration menu
    Copy the full SHA
    83fa6c5 View commit details
    Browse the repository at this point in the history

  11. Update freud/order/Wigner3j.h 

    Co-authored-by: Joshua A. Anderson <joaander@umich.edu>
    @janbridley @joaander
    janbridley and joaander authored Nov 5, 2024
    Configuration menu
    Copy the full SHA
    b0dba0a View commit details
    Browse the repository at this point in the history

  12. Run pre-commit

    @janbridley
    janbridley committed Nov 5, 2024
    Configuration menu
    Copy the full SHA
    4475fb9 View commit details
    Browse the repository at this point in the history

  13. Fix remaining lint errors

    @janbridley
    janbridley committed Nov 5, 2024
    Configuration menu
    Copy the full SHA
    6461db5 View commit details
    Browse the repository at this point in the history

Commits on Nov 7, 2024

  1. Fix docstring format

    @janbridley
    janbridley committed Nov 7, 2024
    Configuration menu
    Copy the full SHA
    a205850 View commit details
    Browse the repository at this point in the history

Commits on Nov 8, 2024

  1. Apply suggestions from code review

    @joaander
    joaander authored Nov 8, 2024
    Configuration menu
    Copy the full SHA
    79f92e8 View commit details
    Browse the repository at this point in the history

  2. pre-commit

    @joaander
    joaander committed Nov 8, 2024
    Configuration menu
    Copy the full SHA
    a0286f4 View commit details
    Browse the repository at this point in the history