qcinteg

This C library provides functions for evaluating basic integrals needed in quantum chemistry. It supports primitive cartesian Gaussian basis functions (GTO) of arbitrary angular momentum and is based on the Hermite Gaussian Expansion. The purpose of this library is to have a handy useful implementation.

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BSD License

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Intended Audience

Science/Research

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Related Categories

C Chemistry Software

Registered

2016-06-30

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