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.