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  • Sander, Oliver's avatar
    Local solver: Compute density gradient and Hessian in one go · e06e72c6
    Sander, Oliver authored
    Previously, computing the gradient and the Hesse matrix of the energy
    density where two separate operations.  For the spectrally split
    density this was wasteful, because each call involved an expensive
    eigenvector decomposition.  This commit introduces a new method
    called 'gradientHessian' which returns both first and second
    derivatives together.  That way, the eigendecomposition is
    done only once, and run-time is saved.
    e06e72c6