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1. psixas psixas Public

   A PSI4 plugin for X-ray absorption spectra (XPS, NEXAFS, PP-NEXAFS)

   Python 11 3

2. psi4 psi4 Public

   Forked from psi4/psi4

   Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python

   C++

3. corr corr Public

   C++

4. psi4numpy psi4numpy Public

   Forked from psi4/psi4numpy

   Combining Psi4 and Numpy for education and development.

   Jupyter Notebook

5. libint libint Public

   Forked from evaleev/libint

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

   C++

6. psixas-testing psixas-testing Public

   Testing for psixas

   Python