HyQD / coupled-cluster

Upstream coupled cluster code
MIT License
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Avoid explicit construction/storage of vvvv-terms in OACCD #17

Open haakoek opened 5 years ago

haakoek commented 5 years ago

Avoid explicit construction of rho^ab_cd. Rather insert definition explicitly in eta-equations (eqs 34c and 34d in Kvaal 2012).

This is also possibly (most likely) a issue with the transformation of u^pq_rs also.