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11/18/12 THE NEW VERSION OF MOLCRUNCH IS HERE

Molcrunch is an atomic or molecular electronic properties computational package. It provides Gaussian and some Slater orbital support for SCF, MCSCF, and orthogonal or nonorthogonal orbital CI calculations.

Its most exceptional and 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.


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