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Libint: high-performance library for computing Gaussian integrals in quantum mechanics

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Libint - a library for the evaluation of molecular integrals of many-body operators over Gaussian functions

See the wiki for the installation and usage instructions.

Copyright (C) 2004-2024 Edward F. Valeev

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Libint: high-performance library for computing Gaussian integrals in quantum mechanics

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  • C++ 91.4%
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  • Shell 0.7%
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