Aquarius is a parallel quantum chemistry package built on the Cyclops Tensor Framework which provides high-performance structured tensor operations. Aquarius is primarily focused on iterative methods such as CC, CI, and EOMCC.
Changes to src/cc/ccsdt.cxx and src/util/iterative.hpp to allow for any number of ccsd (plus t3->t1 and t->2 contributions) subiterations during the ccsdt routine.
Changes to src/cc/ccsdt.cxx and src/util/iterative.hpp to allow for any number of ccsd (plus t3->t1 and t->2 contributions) subiterations during the ccsdt routine.