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Port environment to nanobind #1291

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Port environment to nanobind #1291

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Commits on Sep 11, 2024

  1. Begin porting environment to nanobind

    @tcmoore3
    tcmoore3 committed Sep 11, 2024
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  2. Export classes

    @AlainKadar
    AlainKadar committed Sep 11, 2024
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  3. Tests are passing for angular separation classes

    @tcmoore3
    tcmoore3 committed Sep 11, 2024
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Commits on Nov 1, 2024

  1. Merge branch 'nanobind' into nanobind-environment

    @DomFijan
    DomFijan committed Nov 1, 2024
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  2. move environment to pure python

    @DomFijan
    DomFijan committed Nov 1, 2024
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  3. fix cmake config for environment

    @DomFijan
    DomFijan committed Nov 1, 2024
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  4. tests on angular separations pass

    @DomFijan
    DomFijan committed Nov 1, 2024
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  5. port local bond projection, tests pass

    @DomFijan
    DomFijan committed Nov 1, 2024
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  6. update testing framework

    @DomFijan
    DomFijan committed Nov 1, 2024
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  7. begin porting local descriptors, python class is ported

    @DomFijan
    DomFijan committed Nov 1, 2024
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Commits on Nov 4, 2024

  1. update build for LocalDescriptors

    @DomFijan
    DomFijan committed Nov 4, 2024
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  2. port LocalDescriptors, enum in constructor is still TODO

    @DomFijan
    DomFijan committed Nov 4, 2024
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Commits on Nov 5, 2024

  1. export complex managed array

    @DomFijan
    DomFijan committed Nov 5, 2024
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  2. correctly export constructor and fix other exports

    @DomFijan
    DomFijan committed Nov 5, 2024
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  3. fix copy with new managed array

    @DomFijan
    DomFijan committed Nov 5, 2024
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  4. add back missing const

    @DomFijan
    DomFijan committed Nov 5, 2024
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Commits on Nov 8, 2024

  1. Translate BondOrder

    @janbridley
    janbridley committed Nov 8, 2024
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  2. Progress on BondOrder export

    @janbridley
    janbridley committed Nov 8, 2024
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  3. Compile BondOrder

    @janbridley
    janbridley committed Nov 8, 2024
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  4. Python for BondOrder

    @janbridley
    janbridley committed Nov 8, 2024
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  5. Progress on BondOrder

    @janbridley
    janbridley committed Nov 8, 2024
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Commits on Nov 12, 2024

  1. fix managed array issue for LocalDescriptors

    @DomFijan
    DomFijan committed Nov 12, 2024
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  2. Merge branch 'nanobind' into nanobind-environment

    @DomFijan
    DomFijan committed Nov 12, 2024
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  3. start porting environment matching, python file ported

    @DomFijan
    DomFijan committed Nov 12, 2024
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  4. update computes for env motif match and rmsd min with a wrapper

    @DomFijan
    DomFijan committed Nov 12, 2024
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Commits on Nov 15, 2024

  1. Minor BondOrder fixes

    @janbridley
    janbridley committed Nov 15, 2024
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  2. Clean up working functions

    @janbridley
    janbridley committed Nov 15, 2024
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  3. Fix BondOrder

    @janbridley
    janbridley committed Nov 15, 2024
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  4. pre-commit working

    @janbridley
    janbridley committed Nov 15, 2024
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  5. Lint BondOrder part of environment.py

    @janbridley
    janbridley committed Nov 15, 2024
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  6. Merge remote-tracking branch 'origin/nanobind-environment-bod' into n… 

    …anobind-environment
    @janbridley
    janbridley committed Nov 15, 2024
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