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.
In my most recent commits I toyed around a bit with the Davidson before deciding to just exactly diagonalize Hbar*R. Thus I never did a formal merge of the Davidson changes, but still have some differences in those files to go along with my exact diag changes in other files.
In my most recent commits I toyed around a bit with the Davidson before deciding to just exactly diagonalize Hbar*R. Thus I never did a formal merge of the Davidson changes, but still have some differences in those files to go along with my exact diag changes in other files.