Port skip neighbor list for very small systems

amd / openmm-hip

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Open bdenhollander opened 10 months ago

bdenhollander commented 10 months ago

Port optimization from https://github.com/openmm/openmm/pull/4070 to HIP for compatibility with upcoming OpenMM 8.1 release
It may be possible to revert some of the changes in https://github.com/amd/openmm-hip/commit/08c967d1b1b4b1fd980d6811166c397f3aaf4023, which was optimizing for small systems as well

@ex-rzr @jdmaia

ex-rzr commented 8 months ago

ex-rzr commented 5 months ago

Included in #14