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A suite of programs to solve a variety of numerical problems in quantum chemistry, atomic, molecular, and chemical physics.

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catalyst

A suite of programs to solve a variety of numerical problems in quantum chemistry, atomic, molecular, and chemical physics. These are designed to take full advantage of distributed and multithreaded systems, including GPUs. It is written in C++17 and targets Unix-like systems.

The only mandatory dependency is the open-source GNU Scientific Library (GSL).

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A suite of programs to solve a variety of numerical problems in quantum chemistry, atomic, molecular, and chemical physics.

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