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Methods

Every reviewed method has one namespace below autogen.methods and one corresponding test tree below tests/methods.

Method Public namespace Runtime organization
CCSD autogen.methods.ccsd derivation, generated kernels, runtime
EOM-CCSD autogen.methods.eom_ccsd derivation, generated kernels, runtime
QPCCSD/PAV autogen.methods.qpccsd generated kernels and reviewed production runtime

The generated layers contain reproducible contractions and compact algebra manifests. Handwritten solvers and adapters live in runtime for CCSD/EOM-CCSD. QPCCSD calls its reviewed runtime layer production to distinguish it from experimental routes; it does not have a redundant runtime alias.

Production QPCCSD

The default route is projected-AGP-referenced, full-coordinate, direct-energy QPCCSD followed by fixed-amplitude particle-number PAV. Its reference definition, energy bookkeeping, excitation space, projection closure, and certification thresholds are scientific contracts rather than interchangeable command-line options.

Read the detailed guides:

Alternative QP references, PN-OAP, cubic cluster operators, and CASSCF-plus-correction energies must remain outside the public production facade.