HyQD / coupled-cluster

Upstream coupled cluster code
MIT License
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CCD rho_abij factorized #85

Closed haakoek closed 2 years ago

haakoek commented 2 years ago

This pull request replaces the old gristmill-generated expression for the matrix element rho^{ab}{ij} of the rccd/roaccd two-body density matrix. The roaccd and roatdccd tests, which depend on rho^{ab}{ij}, are still passing.