Molcrunch
An atomic or molecular electronic properties computational package
...Its most sophisticated feature is a configuration
manipulation CI package that provides symmetry filtering, orbital occupation
selection, and a choice of many other wave function and/or basis characteristics. The symmetry filtering includes the ability to deal
directly with certain non-Abelian groups as well as all Abelian groups. Linear systems can be treated exactly within the full continuous
D-infinity-h or C-infinity-v groups.
The package is completely modular, allowing control over ordering of most steps within the limitations imposed by the theory. ...