Union Potentials in HPMC #1725
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Union Potentials in HPMC #1725
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r_cut update can be expensive now, but the number of types is usually very small.
Some potentials (e.g. Union) will need to know the r_cut of their child potential.
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Commit bb71f90 passes hoomd-validation tests: glotzerlab/hoomd-validation#86 |
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This pull request is complete and ready for final review. |
b-butler
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Feb 29, 2024
Co-authored-by: Brandon Butler <butlerbr@umich.edu>
b-butler
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Mar 1, 2024
Co-authored-by: Tim Moore <mtimc@umich.edu>
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Description
This PR adds union potentials in HPMC.
Motivation and context
Union potentials are a replacement for CPPPotentialUnion, which was based on llvm's JIT engine that is being removed from hoomd-blue in the version 5.0 release.
Partially Resolves #1652
How has this been tested?
I have written a set of unit tests for the new class. Should validation tests be added to hoomd-validation as well?
Change log
Checklist:
sphinx-doc/credits.rst) in the pull request source branch.