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.
For some reason, I do not get libkiss_fft with Elemental (git master as of two hours ago) on NERSC Edison. Because of this, AQUARIUS configure fails. Since AQUARIUS does not need this library, perhaps there is a way to not look for it.
For some reason, I do not get libkiss_fft with Elemental (git master as of two hours ago) on NERSC Edison. Because of this, AQUARIUS configure fails. Since AQUARIUS does not need this library, perhaps there is a way to not look for it.