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1. psi4/psi4 psi4/psi4 Public

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

   C++ 974 446

2. psi4 psi4 Public

   Forked from psi4/psi4

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

   C++ 3

3. psi4/psi4numpy psi4/psi4numpy Public

   Combining Psi4 and Numpy for education and development.

   Jupyter Notebook 345 159

4. fmm fmm Public

   An implementation of the Fast-Multipole Method (works up to 3 levels in a reasonable amount of time),

   Python 4 2

5. EinsumsInCpp EinsumsInCpp Public

   Forked from Einsums/Einsums

   Provides compile-time contraction pattern analysis to determine optimal tensor operation to perform.

   C++

6. Einsums/Einsums Einsums/Einsums Public

   Provides compile-time contraction pattern analysis to determine optimal tensor operation to perform.

   C++ 46 7