HyQD / coupled-cluster

Upstream coupled cluster code
MIT License
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oaccd/roaccd orbital derivative right-hand sides #81

Open haakoek opened 2 years ago

haakoek commented 2 years ago

compute_R_ia and compute_R_tilde_ai in p_space_equations (in the ccd or rccd folder) use ":" slices. These expressions should be written out explicitly in terms of non-zero elements of the two-body density matrix.