Fast update calculation for eigenvalues#5
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The premise of these features is an algorithm for the update of eigenvalues based on a rank-one perturbation by Gu and Eisenstat. A change to the interaction strength between two atoms can be described by a rank-one update. The algorithm itself is implemented in LAPACK's DLAED4 routine but needs a cython wrapper to access. The new feature allows fast calculation of updated frequencies msqf/dcc with subsets.
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frequencies_update()and allows msqf, bfactor and dcc update methods to accept subsets.