devinamatthews / aquarius

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.

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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.

License:BSD 3-Clause "New" or "Revised" License


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Language:C++ 84.6%Language:Python 5.6%Language:Makefile 3.3%Language:Shell 2.3%Language:M4 2.3%Language:C 1.9%