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eriksen-lab

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  1. opentrustregion opentrustregion Public

    A Reusable Library for Second-Order Trust Region Orbital Optimization

    Fortran 18 4

  2. decodense decodense Public

    decodense: Bond- and atom-wise decompositions of HF and KS-DFT calculations

    Python 11 9

  3. pyscf_opentrustregion pyscf_opentrustregion Public

    PySCF Interface to the OpenTrustRegion library for second-order trust region orbital optimization

    Python 5

  4. symlo symlo Public

    Code for the symmetrization of localized orbitals

    Python 2

  5. pymbe pymbe Public

    PyMBE: A Many-Body Expanded Correlation Code

    Python 1 3

  6. notebooks notebooks Public

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