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Nanobind density changes #1307
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Nanobind density changes #1307
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The implementation of `reduceAndReturn` does not allow the previous pattern of calling `prepare` in `reduce`. In the new implemtnation, `reduceAndReturn` will return the OLD array even after the new one is created. The solution is to override `reset`. In subclasses of `BondHistogramCompute`, `reset` *must* call the base class implemtnation which resets `m_historgram`. The subclass must then make new shared arrays that are specific to that subclass. Lastly, the arrays must also be initialized in the constructor to allow for the user to construct the class and use it without calling `reset` first.
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joaander
approved these changes
Feb 7, 2025
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This PR ports density module to nanobind.
Description
All classes have been ported using nanobind as interface instead of cython.
Motivation and Context
Part of nanobind porting initiative.
How Has This Been Tested?
All current tests pass.
Types of changes
Checklist: