More UCC Features - #601
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Keeps CC::Options whole rather than decomposing it into one member per option, so with() can round-trip it losslessly — Options::skip_singles stays optional<bool> and is resolved on demand by skip_singles(), rather than being pinned to a resolved bool at construction. with() takes a single callable mutating Options and rebuilds through the normal constructor, so the result is validated while no intermediate state exists to be invalid. That matters because the ctor invariants couple the options: a chain of per-option setters would have to pass through configurations that cannot be valid. This supersedes with_hbar_comm_rank, which was removed separately.
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Changes
UCCEOMAssemblyto select commutator or projected-HbarUCC EOM equations.Hbar * Rpath and reject UCC-only assembly options.hbar_singles_comm_rankto apply an additional singles-only similarity transform after the primary BCH expansion.CC::Optionsand addCC::with()for constructing validated configuration variants.