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A python utility to convert between XYZ and Z-matrix geometries.
A C++ library for the efficient evaluation of integrals over effective core potentials.
Efficient, high-accuracy electronic structure code for intermolecular interactions
Forked from psi4/psi4
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
Script to perform a Dunham analysis on potential energy curve of diatomics
Radiative and non-radiative rates
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