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Add vector-valued variants #1685

Merged
merged 40 commits into from
Feb 28, 2024
Merged

Add vector-valued variants #1685

merged 40 commits into from
Feb 28, 2024

Commits on Dec 15, 2023

  1. Add VectorVariant class 

    Adds a VectorVariant class.
Adds VectorVariantBox as a subclass of VectorVariant.
Implements VectorVariantBoxConstant and VectorVariantBoxLinear.
Moves variant from a module to a package.

The code compiles and I am able to get the expected boxes as a function
of time for both VectorVariantBoxConstant and VectorVariantBoxLinear
objects.

More to come before I open a PR.
    @tcmoore3
    tcmoore3 committed Dec 15, 2023
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Commits on Dec 18, 2023

  1. Add a linear density ramp box variant

    @tcmoore3
    tcmoore3 committed Dec 18, 2023
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  2. First bit of sphinx docs for box variants

    @tcmoore3
    tcmoore3 committed Dec 18, 2023
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Commits on Dec 19, 2023

  1. More sphinx documentation

    @tcmoore3
    tcmoore3 committed Dec 19, 2023
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  2. Run pre-commit

    @tcmoore3
    tcmoore3 committed Dec 19, 2023
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  3. Fix references in sphinx-doc

    @tcmoore3
    tcmoore3 committed Dec 19, 2023
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Commits on Jan 4, 2024

  1. Apply suggestions from code review 

    Co-authored-by: Joshua A. Anderson <[email protected]>
    @tcmoore3 @joaander
    tcmoore3 and joaander authored Jan 4, 2024
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  2. Get rid of m_value in constant box variant

    @tcmoore3
    tcmoore3 committed Jan 4, 2024
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  3. Replace t_start/t_ramp with a vaiant in VectorVariantBoxLinear

    @tcmoore3
    tcmoore3 committed Jan 4, 2024
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  4. Fix imports

    @tcmoore3
    tcmoore3 committed Jan 4, 2024
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  5. Attempt to fix imports

    @tcmoore3
    tcmoore3 committed Jan 4, 2024
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Commits on Jan 10, 2024

  1. Move scalar variants to new module 

    Moves the scalar variant classes to a separate module, but imports them
in hoomd/variant/__init__.py so that they still live in the
hoomd.variant namespace. I did this as a workaround for python's import
behavior since I kept getting circular import errors when keeping the
scalar variant classes in the package's __init__.py file.
    @tcmoore3
    tcmoore3 committed Jan 10, 2024
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Commits on Jan 11, 2024

  1. Use internal variant for inverse volume box ramp

    @tcmoore3
    tcmoore3 committed Jan 11, 2024
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  2. Call box_preprocessing on correct boxes

    @tcmoore3
    tcmoore3 committed Jan 11, 2024
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  3. Fix box references in python docstrings

    @tcmoore3
    tcmoore3 committed Jan 11, 2024
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  4. Fix order of imports

    @tcmoore3
    tcmoore3 committed Jan 11, 2024
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  5. Import variant.box

    @tcmoore3
    tcmoore3 committed Jan 11, 2024
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  6. Update docstring

    @tcmoore3
    tcmoore3 committed Jan 11, 2024
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  7. Format

    @tcmoore3
    tcmoore3 committed Jan 11, 2024
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  8. Add docstring to variant/scalar.py

    @tcmoore3
    tcmoore3 committed Jan 11, 2024
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Commits on Jan 12, 2024

  1. Rename LinearInverseVolume to InverseVolumeRamp

    @tcmoore3
    tcmoore3 committed Jan 12, 2024
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Commits on Jan 16, 2024

  1. Start implementing tests

    @tcmoore3
    tcmoore3 committed Jan 16, 2024
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  2. Add more tests

    @tcmoore3
    tcmoore3 committed Jan 16, 2024
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  3. Actually add test file

    @tcmoore3
    tcmoore3 committed Jan 16, 2024
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Commits on Jan 17, 2024

  1. Test custom box variant

    @tcmoore3
    tcmoore3 committed Jan 17, 2024
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  2. formatting

    @tcmoore3
    tcmoore3 committed Jan 17, 2024
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  3. formatting

    @tcmoore3
    tcmoore3 committed Jan 17, 2024
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  4. Fix error in docs and formatting hack

    @tcmoore3
    tcmoore3 committed Jan 17, 2024
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  5. Remove pybind11 pickle code

    @tcmoore3
    tcmoore3 committed Jan 17, 2024
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  6. Merge remote-tracking branch 'origin/trunk-minor' into feature/vector… 

    …-variant
    @tcmoore3
    tcmoore3 committed Jan 17, 2024
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Commits on Feb 10, 2024

  1. Merge remote-tracking branch 'origin/trunk-minor' into feature/vector… 

    …-variant
    @tcmoore3
    tcmoore3 committed Feb 10, 2024
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Commits on Feb 13, 2024

  1. Address reviews

    @tcmoore3
    tcmoore3 committed Feb 13, 2024
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  2. formatting

    @tcmoore3
    tcmoore3 committed Feb 13, 2024
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  3. flake8

    @tcmoore3
    tcmoore3 committed Feb 13, 2024
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Commits on Feb 28, 2024

  1. Apply suggestions from code review 

    Co-authored-by: Brandon Butler <[email protected]>
    @joaander @b-butler
    joaander and b-butler authored Feb 28, 2024
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  2. Merge branch 'trunk-minor' into feature/vector-variant

    @joaander
    joaander committed Feb 28, 2024
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  3. Apply changes from code review.

    @joaander
    joaander committed Feb 28, 2024
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  4. Revise docs.

    @joaander
    joaander committed Feb 28, 2024
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  5. Run pre-commit.

    @joaander
    joaander committed Feb 28, 2024
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  6. Explicitly document length of return type.

    @joaander
    joaander committed Feb 28, 2024
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