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Modernize NBNxM LJ comb.rule. enum

Berk Hess requested to merge bh-nbnxm-modernize-ljcombrule-enum into main

Replaced the C-style enum that determined which LJ combination rule matrix was generated by the NBNxM module by std::optional av an enum class and a separate enum class for LJ-PME.

Fixes #4996 (closed)

Edited by Berk Hess

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