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  1. ape_gto3d ape_gto3d Public

    A posteriori estimation of Gaussian-type orbital basis errors in 3D

    Python

  2. ape_hbs1d ape_hbs1d Public

    A posteriori estimation of Hermite-Gaussian basis errors in 1D

    Julia 1

  3. extract_ao extract_ao Public

    Python program for extracting atomic orbitals from PySCF

    Python